86
Coordinates from ORCA-job orca E -5421.761563607462
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  H      -5.603484     -2.708906      5.179675
  H      -4.466067     -3.108627      6.325503
86
Coordinates from ORCA-job orca E -5421.789679032547
  N      -3.916700     -3.389074      2.676941
  C      -3.917675     -3.975481      1.341898
  C      -3.139985     -5.275570      1.340966
  N      -3.599719     -6.088673      2.464808
  C      -4.827042     -6.835498      2.141283
  C      -5.696944     -6.926828      3.405116
  N      -5.921409     -5.604690      3.954637
  Mo     -4.019277     -4.763241      4.141890
  N      -2.065583     -5.192157      4.502297
  C      -1.482134     -6.246810      3.687241
  C      -2.554486     -7.008458      2.920085
  H      -0.940591     -6.990491      4.296290
  H      -0.739805     -5.833563      2.977349
  H      -3.022142     -7.737011      3.591912
  H      -2.110628     -7.560752      2.074570
  H      -6.626581     -7.459162      3.153719
  H      -5.178992     -7.562883      4.143159
  H      -5.382300     -6.284137      1.378896
  H      -4.588968     -7.834204      1.742476
  H      -3.453978     -3.321459      0.593215
  H      -4.954268     -4.156146      1.005938
  H      -2.085846     -5.030430      1.506708
  H      -3.238033     -5.818321      0.387739
  C      -1.708455      0.390580      1.067520
  C      -1.562138     -0.403238      2.129939
  C      -0.764535      0.035156      3.327536
  C      -2.122654     -1.800843      2.171748
  C      -3.643492     -1.936299      2.537250
  C      -4.546826     -1.297853      1.461253
  C      -3.890559     -1.125037      3.805997
  C      -7.377202     -5.808438      6.862345
  C      -8.316283     -5.363632      6.024658
  C      -9.412623     -4.440389      6.476717
  C      -8.341938     -5.779614      4.579481
  C      -7.259595     -5.080936      3.672651
  C      -7.705886     -5.298179      2.202614
  C      -7.320701     -3.562471      3.882346
  C      -3.253513     -5.463420      8.435352
  C      -2.824897     -6.008709      7.292843
  C      -3.745946     -6.772110      6.393673
  C      -1.407936     -5.879896      6.820836
  C      -1.222170     -4.852651      5.643343
  C       0.284231     -4.823610      5.295200
  C      -1.560202     -3.449845      6.161348
  H      -1.298967      1.395044      1.043705
  H      -2.240608      0.073024      0.177664
  H      -1.328320     -0.106729      4.253441
  H      -0.475623      1.085653      3.246288
  H       0.148344     -0.567529      3.402032
  H      -1.585954     -2.398834      2.918366
  H      -1.969631     -2.268506      1.192065
  H      -4.440624     -0.212695      1.494246
  H      -5.591946     -1.550951      1.660062
  H      -4.300058     -1.629369      0.450403
  H      -4.949416     -1.133989      4.053346
  H      -3.318519     -1.536237      4.629498
  H      -3.592983     -0.088263      3.632447
  H      -6.626845     -6.514802      6.528434
  H      -7.343203     -5.509721      7.905179
  H     -10.366707     -4.980563      6.479686
  H      -9.521885     -3.591447      5.795260
  H      -9.227614     -4.067380      7.486895
  H      -8.179469     -6.861984      4.508126
  H      -9.326501     -5.558049      4.155739
  H      -7.746250     -6.353879      1.923980
  H      -7.022407     -4.777186      1.527039
  H      -8.704724     -4.879933      2.058021
  H      -8.215932     -3.150177      3.410368
  H      -7.346245     -3.300776      4.939245
  H      -6.433165     -3.125899      3.421748
  H      -4.275578     -5.585281      8.780976
  H      -2.591220     -4.904087      9.086641
  H      -3.941482     -6.161880      5.477959
  H      -3.282579     -7.709017      6.067289
  H      -4.690687     -6.999445      6.890603
  H      -0.762130     -5.562781      7.645594
  H      -1.054805     -6.860243      6.474209
  H       0.695010     -5.819237      5.112984
  H       0.836640     -4.379162      6.126039
  H       0.449594     -4.210610      4.404624
  H      -2.632152     -3.349074      6.303644
  H      -1.053162     -3.259902      7.109774
  H      -1.229858     -2.706061      5.433423
  N      -4.760265     -3.382062      5.528035
  H      -5.540716     -2.747847      5.381220
  H      -4.398527     -3.235569      6.476295
86
Coordinates from ORCA-job orca E -5421.807248276189
  N      -3.931318     -3.385225      2.658922
  C      -3.936021     -3.999094      1.316093
  C      -3.154246     -5.296119      1.319771
  N      -3.614269     -6.112625      2.457850
  C      -4.850122     -6.873668      2.139350
  C      -5.699410     -6.952204      3.407292
  N      -5.914937     -5.604609      3.937285
  Mo     -4.035389     -4.744030      4.137204
  N      -2.086200     -5.196426      4.482124
  C      -1.495887     -6.269022      3.676852
  C      -2.562046     -7.041599      2.926313
  H      -0.950972     -6.999460      4.297977
  H      -0.753088     -5.860508      2.965186
  H      -3.033622     -7.764596      3.606284
  H      -2.123337     -7.604408      2.084243
  H      -6.633300     -7.485092      3.175640
  H      -5.178522     -7.580703      4.152923
  H      -5.409820     -6.329017      1.369892
  H      -4.606285     -7.875090      1.746741
  H      -3.473796     -3.354366      0.560969
  H      -4.974686     -4.180114      0.981611
  H      -2.095351     -5.051373      1.478756
  H      -3.254374     -5.849271      0.371930
  C      -1.667398      0.420963      1.104120
  C      -1.536617     -0.393410      2.162319
  C      -0.740853      0.014650      3.375902
  C      -2.117389     -1.788538      2.177889
  C      -3.646439     -1.913642      2.536607
  C      -4.555375     -1.256496      1.472779
  C      -3.896404     -1.124337      3.824172
  C      -7.367419     -5.843187      6.857143
  C      -8.311426     -5.393891      6.017797
  C      -9.419740     -4.483868      6.477105
  C      -8.329849     -5.795654      4.560468
  C      -7.268531     -5.076332      3.648894
  C      -7.706165     -5.300125      2.176167
  C      -7.347977     -3.555632      3.864706
  C      -3.246691     -5.387590      8.466423
  C      -2.829309     -5.959685      7.326813
  C      -3.770223     -6.746948      6.462341
  C      -1.414400     -5.841661      6.824647
  C      -1.225801     -4.834949      5.628381
  C       0.271636     -4.836779      5.246174
  C      -1.525683     -3.411887      6.124594
  H      -1.241710      1.426866      1.099567
  H      -2.199949      0.117401      0.199593
  H      -1.314156     -0.135013      4.303142
  H      -0.432744      1.066777      3.316837
  H       0.167238     -0.606522      3.452504
  H      -1.585153     -2.404979      2.919470
  H      -1.958125     -2.245509      1.189508
  H      -4.443026     -0.167783      1.527131
  H      -5.606578     -1.508338      1.675947
  H      -4.320180     -1.565204      0.446731
  H      -4.963997     -1.130040      4.073706
  H      -3.328635     -1.539720      4.660967
  H      -3.594427     -0.082145      3.662246
  H      -6.604694     -6.542575      6.514547
  H      -7.336478     -5.550046      7.909456
  H     -10.377847     -5.029911      6.466557
  H      -9.535824     -3.620630      5.803691
  H      -9.244796     -4.119566      7.498204
  H      -8.158710     -6.880496      4.477399
  H      -9.320227     -5.582852      4.133763
  H      -7.735929     -6.360438      1.891130
  H      -7.027743     -4.767349      1.494247
  H      -8.714529     -4.892227      2.033712
  H      -8.257543     -3.156033      3.399437
  H      -7.372988     -3.298806      4.930060
  H      -6.473503     -3.084328      3.396744
  H      -4.274786     -5.498822      8.822098
  H      -2.569923     -4.811638      9.101540
  H      -3.970736     -6.161596      5.529118
  H      -3.317188     -7.695328      6.137804
  H      -4.719110     -6.953903      6.967379
  H      -0.749444     -5.511345      7.634217
  H      -1.069481     -6.835773      6.491851
  H       0.666452     -5.846775      5.073055
  H       0.847131     -4.384463      6.063736
  H       0.432998     -4.237405      4.337978
  H      -2.590761     -3.269008      6.295010
  H      -0.991290     -3.216342      7.062685
  H      -1.192780     -2.681791      5.373538
  N      -4.701433     -3.396026      5.500646
  H      -5.467527     -2.744889      5.364341
  H      -4.334393     -3.277723      6.448431
86
Coordinates from ORCA-job orca E -5421.818789474238
  N      -3.960612     -3.389782      2.652831
  C      -3.963654     -4.012981      1.305536
  C      -3.165735     -5.301313      1.305481
  N      -3.620825     -6.130909      2.445677
  C      -4.854972     -6.906118      2.124234
  C      -5.692543     -6.985619      3.393296
  N      -5.898911     -5.624769      3.916931
  Mo     -4.060982     -4.732535      4.135445
  N      -2.117110     -5.198530      4.467591
  C      -1.511243     -6.276190      3.669911
  C      -2.563173     -7.060272      2.922614
  H      -0.960957     -6.991926      4.302179
  H      -0.768365     -5.861052      2.963721
  H      -3.039834     -7.783004      3.600374
  H      -2.122956     -7.623940      2.082130
  H      -6.631136     -7.514816      3.173926
  H      -5.174110     -7.609993      4.143471
  H      -5.413783     -6.362957      1.352117
  H      -4.599957     -7.903987      1.728920
  H      -3.507335     -3.359168      0.552496
  H      -5.001428     -4.197192      0.972526
  H      -2.106780     -5.052930      1.463983
  H      -3.261562     -5.855934      0.357949
  C      -1.669111      0.412074      1.133525
  C      -1.544459     -0.408701      2.190096
  C      -0.748747     -0.015317      3.408107
  C      -2.137925     -1.800894      2.195176
  C      -3.665532     -1.912655      2.552281
  C      -4.565800     -1.256670      1.485122
  C      -3.919629     -1.132475      3.845340
  C      -7.363003     -5.897109      6.831534
  C      -8.294352     -5.406302      5.999439
  C      -9.381089     -4.477940      6.473009
  C      -8.317086     -5.782233      4.532112
  C      -7.251633     -5.067569      3.628885
  C      -7.684217     -5.270530      2.154786
  C      -7.295193     -3.550371      3.874724
  C      -3.244950     -5.320260      8.488581
  C      -2.834893     -5.916164      7.356755
  C      -3.785628     -6.733332      6.531565
  C      -1.427331     -5.801105      6.827166
  C      -1.243066     -4.814666      5.618667
  C       0.246277     -4.832786      5.210655
  C      -1.513826     -3.380020      6.095268
  H      -1.234785      1.415930      1.136546
  H      -2.203322      0.112470      0.226631
  H      -1.323954     -0.165819      4.336461
  H      -0.428455      1.035085      3.359529
  H       0.153941     -0.647096      3.487996
  H      -1.607902     -2.426028      2.932640
  H      -1.978530     -2.255149      1.204331
  H      -4.448597     -0.166764      1.541031
  H      -5.620211     -1.503710      1.684904
  H      -4.329394     -1.562884      0.456695
  H      -4.991507     -1.128787      4.093025
  H      -3.360897     -1.540106      4.695706
  H      -3.612044     -0.090499      3.683599
  H      -6.618515     -6.608908      6.472969
  H      -7.322028     -5.622295      7.890411
  H     -10.356987     -4.994596      6.445686
  H      -9.474525     -3.595941      5.817611
  H      -9.204086     -4.137599      7.503449
  H      -8.173417     -6.869914      4.429887
  H      -9.303738     -5.543791      4.105512
  H      -7.731356     -6.327575      1.854946
  H      -6.998434     -4.740355      1.476036
  H      -8.687942     -4.845633      2.017230
  H      -8.201701     -3.125245      3.423816
  H      -7.308632     -3.314289      4.948094
  H      -6.420146     -3.071332      3.409277
  H      -4.272812     -5.430598      8.851517
  H      -2.563466     -4.723481      9.102127
  H      -3.999663     -6.179397      5.583115
  H      -3.335396     -7.686972      6.213388
  H      -4.731674     -6.927378      7.045845
  H      -0.748516     -5.454879      7.620316
  H      -1.084959     -6.802560      6.509420
  H       0.634802     -5.847623      5.046223
  H       0.836493     -4.372001      6.015085
  H       0.400673     -4.245085      4.292237
  H      -2.567610     -3.199373      6.292975
  H      -0.954927     -3.183257      7.020410
  H      -1.182955     -2.662107      5.328900
  N      -4.669734     -3.438541      5.473616
  H      -5.432661     -2.776888      5.345727
  H      -4.304852     -3.347997      6.425324
86
Coordinates from ORCA-job orca E -5421.825764231387
  N      -3.983848     -3.387813      2.645384
  C      -3.987024     -4.014849      1.298994
  C      -3.181602     -5.299490      1.295195
  N      -3.635179     -6.137697      2.430277
  C      -4.865022     -6.918105      2.106099
  C      -5.692297     -6.997464      3.378655
  N      -5.888425     -5.632216      3.893704
  Mo     -4.088870     -4.710624      4.131299
  N      -2.153866     -5.197282      4.451618
  C      -1.538754     -6.277653      3.663425
  C      -2.581704     -7.066450      2.914578
  H      -0.987251     -6.981726      4.306994
  H      -0.794220     -5.858863      2.962205
  H      -3.067627     -7.785782      3.588973
  H      -2.140219     -7.632340      2.076403
  H      -6.638712     -7.519639      3.174320
  H      -5.174746     -7.616201      4.132318
  H      -5.422685     -6.375822      1.333450
  H      -4.601769     -7.912591      1.708136
  H      -3.533026     -3.354399      0.550043
  H      -5.023725     -4.197220      0.966910
  H      -2.122963     -5.053541      1.455242
  H      -3.275428     -5.851278      0.345602
  C      -1.639290      0.395944      1.178864
  C      -1.526063     -0.437903      2.224885
  C      -0.726758     -0.072091      3.446656
  C      -2.141237     -1.821366      2.211488
  C      -3.666495     -1.913594      2.569228
  C      -4.554946     -1.237957      1.507243
  C      -3.916280     -1.152690      3.871956
  C      -7.346323     -5.950310      6.803055
  C      -8.275449     -5.438741      5.983095
  C      -9.352836     -4.510005      6.471913
  C      -8.302185     -5.797019      4.511958
  C      -7.247478     -5.069930      3.611633
  C      -7.674001     -5.275777      2.141364
  C      -7.298397     -3.558857      3.872217
  C      -3.239992     -5.221206      8.492762
  C      -2.842621     -5.851481      7.375691
  C      -3.803321     -6.701884      6.599099
  C      -1.444740     -5.746432      6.821013
  C      -1.266275     -4.787201      5.597099
  C       0.217524     -4.824053      5.169981
  C      -1.510605     -3.339425      6.041781
  H      -1.190643      1.392098      1.195650
  H      -2.176257      0.111771      0.270421
  H      -1.303204     -0.224015      4.373243
  H      -0.387753      0.972275      3.413164
  H       0.163791     -0.720141      3.523489
  H      -1.617234     -2.463280      2.937899
  H      -1.988172     -2.265868      1.216148
  H      -4.423565     -0.150270      1.572483
  H      -5.612435     -1.470569      1.702957
  H      -4.321646     -1.534944      0.476730
  H      -4.988190     -1.134469      4.119632
  H      -3.365841     -1.566878      4.723628
  H      -3.597108     -0.113044      3.720700
  H      -6.611884     -6.662805      6.428439
  H      -7.294541     -5.689344      7.863990
  H     -10.334233     -5.013872      6.434726
  H      -9.440611     -3.616286      5.832994
  H      -9.174976     -4.187880      7.507312
  H      -8.163757     -6.883069      4.395632
  H      -9.291151     -5.556662      4.091592
  H      -7.712239     -6.332638      1.841982
  H      -6.996258     -4.740322      1.460962
  H      -8.682012     -4.860853      2.004923
  H      -8.215672     -3.140259      3.437215
  H      -7.303426     -3.333943      4.947178
  H      -6.441907     -3.057469      3.399120
  H      -4.263183     -5.325459      8.866898
  H      -2.553690     -4.601436      9.075248
  H      -4.035314     -6.187452      5.634959
  H      -3.357342     -7.663544      6.300676
  H      -4.743136     -6.876503      7.129358
  H      -0.754886     -5.382842      7.596704
  H      -1.105036     -6.754466      6.524383
  H       0.600571     -5.842085      5.022046
  H       0.819864     -4.351560      5.958049
  H       0.366419     -4.254126      4.241015
  H      -2.552514     -3.123150      6.265984
  H      -0.926541     -3.134075      6.948891
  H      -1.185142     -2.641881      5.255919
  N      -4.638221     -3.453080      5.465171
  H      -5.385514     -2.769153      5.350790
  H      -4.282255     -3.405340      6.425271
86
Coordinates from ORCA-job orca E -5421.833636357552
  N      -3.997413     -3.391017      2.644151
  C      -3.992735     -4.016022      1.299410
  C      -3.178423     -5.294727      1.291670
  N      -3.637043     -6.143369      2.413411
  C      -4.861679     -6.922814      2.075343
  C      -5.691769     -7.007006      3.345866
  N      -5.880344     -5.644267      3.863174
  Mo     -4.113753     -4.701359      4.130100
  N      -2.188434     -5.206426      4.451370
  C      -1.561673     -6.283748      3.670871
  C      -2.592938     -7.071616      2.907759
  H      -1.014470     -6.982019      4.324149
  H      -0.811002     -5.859883      2.979597
  H      -3.090759     -7.790647      3.573387
  H      -2.142587     -7.636232      2.073235
  H      -6.643884     -7.520208      3.147191
  H      -5.177134     -7.627392      4.099294
  H      -5.414267     -6.377538      1.302018
  H      -4.590997     -7.913268      1.672163
  H      -3.541150     -3.346167      0.557202
  H      -5.026750     -4.201655      0.963096
  H      -2.121380     -5.048813      1.459003
  H      -3.265132     -5.838351      0.336184
  C      -1.625664      0.372336      1.180332
  C      -1.520230     -0.454740      2.230946
  C      -0.727066     -0.084237      3.453527
  C      -2.141683     -1.835865      2.221322
  C      -3.666152     -1.919765      2.575703
  C      -4.544953     -1.245100      1.505561
  C      -3.923074     -1.157672      3.873450
  C      -7.337945     -6.052143      6.766126
  C      -8.254286     -5.485020      5.970251
  C      -9.300472     -4.541989      6.494651
  C      -8.296961     -5.798437      4.490292
  C      -7.239048     -5.061951      3.601513
  C      -7.671128     -5.229752      2.130519
  C      -7.264694     -3.561449      3.907417
  C      -3.251650     -5.134817      8.492973
  C      -2.861831     -5.801527      7.394873
  C      -3.826436     -6.684612      6.662067
  C      -1.469856     -5.708404      6.826456
  C      -1.292444     -4.772833      5.589759
  C       0.189825     -4.828081      5.155157
  C      -1.512605     -3.314118      6.005141
  H      -1.173910      1.366263      1.194340
  H      -2.157905      0.082436      0.272133
  H      -1.308984     -0.224667      4.377728
  H      -0.380506      0.956881      3.415064
  H       0.157669     -0.737631      3.543467
  H      -1.620082     -2.477110      2.949225
  H      -1.987484     -2.284748      1.228800
  H      -4.408591     -0.157841      1.563571
  H      -5.604520     -1.468916      1.696665
  H      -4.307144     -1.548270      0.478741
  H      -4.995790     -1.132481      4.115318
  H      -3.377928     -1.562803      4.730806
  H      -3.602007     -0.119279      3.718357
  H      -6.630724     -6.774948      6.361819
  H      -7.268130     -5.825734      7.833341
  H     -10.297220     -5.011730      6.441275
  H      -9.363099     -3.623803      5.889554
  H      -9.112118     -4.262583      7.539982
  H      -8.185156     -6.882534      4.339536
  H      -9.285181     -5.529423      4.085859
  H      -7.720469     -6.278433      1.808422
  H      -6.994150     -4.684889      1.458396
  H      -8.676389     -4.804338      2.007791
  H      -8.186960     -3.121658      3.505052
  H      -7.245472     -3.368201      4.987472
  H      -6.417389     -3.050475      3.429452
  H      -4.271668     -5.231498      8.875176
  H      -2.563670     -4.492458      9.046610
  H      -4.075157     -6.210617      5.682892
  H      -3.380578     -7.654487      6.392693
  H      -4.760415     -6.839905      7.207417
  H      -0.774919     -5.331486      7.591277
  H      -1.130674     -6.721520      6.549586
  H       0.567755     -5.849379      5.024114
  H       0.799027     -4.346732      5.932009
  H       0.339506     -4.273440      4.218127
  H      -2.543376     -3.067960      6.250226
  H      -0.906339     -3.101402      6.895708
  H      -1.190307     -2.636910      5.202291
  N      -4.630091     -3.464121      5.482577
  H      -5.357923     -2.755359      5.380637
  H      -4.301041     -3.470999      6.455187
86
Coordinates from ORCA-job orca E -5421.836558954435
  N      -4.010446     -3.390973      2.646076
  C      -4.004677     -4.014815      1.303904
  C      -3.181799     -5.287468      1.293152
  N      -3.639257     -6.142420      2.407525
  C      -4.859303     -6.923863      2.064729
  C      -5.687537     -7.011591      3.336046
  N      -5.877242     -5.650736      3.850009
  Mo     -4.127851     -4.698222      4.128481
  N      -2.206618     -5.205046      4.450151
  C      -1.573129     -6.279343      3.674602
  C      -2.598394     -7.068186      2.906628
  H      -1.026255     -6.973510      4.332455
  H      -0.821129     -5.852432      2.986721
  H      -3.100238     -7.787059      3.569232
  H      -2.143787     -7.632357      2.073990
  H      -6.640406     -7.525014      3.142741
  H      -5.170001     -7.628792      4.089727
  H      -5.412365     -6.378987      1.291889
  H      -4.583222     -7.912010      1.659432
  H      -3.558119     -3.339864      0.563295
  H      -5.037779     -4.205164      0.968318
  H      -2.126200     -5.038205      1.463211
  H      -3.264337     -5.826951      0.334706
  C      -1.606272      0.348073      1.180547
  C      -1.506744     -0.477590      2.232014
  C      -0.710266     -0.111275      3.452927
  C      -2.140257     -1.853395      2.224723
  C      -3.663662     -1.924067      2.583223
  C      -4.536802     -1.242183      1.513046
  C      -3.914260     -1.161742      3.880701
  C      -7.332834     -6.118515      6.744350
  C      -8.240560     -5.516992      5.964594
  C      -9.266426     -4.565486      6.511890
  C      -8.294451     -5.802637      4.479867
  C      -7.234574     -5.059759      3.598613
  C      -7.668929     -5.205119      2.126846
  C      -7.246303     -3.565676      3.929367
  C      -3.273739     -5.085597      8.480955
  C      -2.878246     -5.767930      7.394781
  C      -3.836792     -6.670707      6.678576
  C      -1.486429     -5.674589      6.827096
  C      -1.309613     -4.753129      5.582377
  C       0.172636     -4.814253      5.146516
  C      -1.524646     -3.288854      5.977612
  H      -1.146522      1.337955      1.192875
  H      -2.140799      0.060002      0.273658
  H      -1.293133     -0.242622      4.377484
  H      -0.352830      0.925776      3.411651
  H       0.167203     -0.773533      3.546032
  H      -1.621318     -2.498751      2.950521
  H      -1.992202     -2.304016      1.232372
  H      -4.389872     -0.156287      1.568325
  H      -5.598250     -1.454229      1.705497
  H      -4.302715     -1.548956      0.486856
  H      -4.986262     -1.126843      4.123659
  H      -3.370702     -1.567702      4.737712
  H      -3.586364     -0.125745      3.724293
  H      -6.643110     -6.847120      6.321363
  H      -7.252030     -5.914576      7.815092
  H     -10.272411     -5.013229      6.449651
  H      -9.312335     -3.633065      5.928035
  H      -9.071340     -4.313197      7.562606
  H      -8.198074     -6.884676      4.307711
  H      -9.282264     -5.516563      4.086388
  H      -7.723177     -6.248649      1.790786
  H      -6.992300     -4.653407      1.460677
  H      -8.672940     -4.774843      2.011783
  H      -8.171083     -3.114426      3.545928
  H      -7.213120     -3.390148      5.011692
  H      -6.403659     -3.050098      3.448646
  H      -4.294190     -5.182789      8.861077
  H      -2.591171     -4.429586      9.024376
  H      -4.092903     -6.216078      5.693293
  H      -3.384473     -7.641280      6.423571
  H      -4.768981     -6.822543      7.227581
  H      -0.794717     -5.285793      7.588915
  H      -1.140891     -6.688849      6.563783
  H       0.551077     -5.836359      5.026976
  H       0.782754     -4.324859      5.917344
  H       0.322255     -4.269215      4.204309
  H      -2.550886     -3.032728      6.231792
  H      -0.908269     -3.066057      6.858659
  H      -1.207867     -2.623566      5.163579
  N      -4.633278     -3.471809      5.491101
  H      -5.347875     -2.749139      5.388925
  H      -4.373290     -3.545881      6.482162
86
Coordinates from ORCA-job orca E -5421.838772796715
  N      -4.011987     -3.388786      2.651606
  C      -4.009663     -4.011703      1.309450
  C      -3.184217     -5.282626      1.295234
  N      -3.640936     -6.141157      2.406647
  C      -4.861266     -6.921335      2.063566
  C      -5.686626     -7.010902      3.336711
  N      -5.875742     -5.650374      3.849274
  Mo     -4.128997     -4.697346      4.132071
  N      -2.209710     -5.208544      4.451188
  C      -1.575961     -6.281416      3.674780
  C      -2.601638     -7.068068      2.905542
  H      -1.029486     -6.976172      4.332364
  H      -0.823868     -5.853613      2.987561
  H      -3.104875     -7.786615      3.567388
  H      -2.147399     -7.632297      2.072685
  H      -6.640417     -7.523771      3.146212
  H      -5.167041     -7.627513      4.089459
  H      -5.415756     -6.374987      1.292756
  H      -4.585355     -7.908595      1.655964
  H      -3.567419     -3.334966      0.567916
  H      -5.043360     -4.204191      0.977067
  H      -2.128761     -5.032790      1.465225
  H      -3.266741     -5.819139      0.334987
  C      -1.600219      0.340613      1.173610
  C      -1.501433     -0.481185      2.228177
  C      -0.704294     -0.111105      3.447425
  C      -2.137322     -1.855952      2.226225
  C      -3.659593     -1.922985      2.589368
  C      -4.533904     -1.238520      1.521446
  C      -3.906259     -1.160898      3.887407
  C      -7.351293     -6.139021      6.744613
  C      -8.248319     -5.526950      5.960725
  C      -9.270828     -4.570102      6.504785
  C      -8.295625     -5.808496      4.475113
  C      -7.234895     -5.061115      3.598536
  C      -7.664231     -5.207364      2.125709
  C      -7.252625     -3.567875      3.931523
  C      -3.269053     -5.074863      8.479432
  C      -2.875171     -5.761229      7.395084
  C      -3.834430     -6.668356      6.684985
  C      -1.484265     -5.668133      6.825232
  C      -1.310315     -4.749229      5.579013
  C       0.171555     -4.809649      5.140811
  C      -1.527297     -3.284430      5.970167
  H      -1.139049      1.329859      1.182027
  H      -2.135314      0.049580      0.268015
  H      -1.288040     -0.235204      4.372408
  H      -0.343019      0.924365      3.400751
  H       0.170605     -0.776120      3.544902
  H      -1.617066     -2.500533      2.951662
  H      -1.992921     -2.309176      1.234530
  H      -4.382664     -0.153123      1.574936
  H      -5.595521     -1.446023      1.717824
  H      -4.304424     -1.546995      0.494752
  H      -4.977559     -1.124920      4.133145
  H      -3.360220     -1.566366      4.742840
  H      -3.578562     -0.124970      3.729855
  H      -6.665410     -6.872720      6.324007
  H      -7.276441     -5.939291      7.816552
  H     -10.279887     -5.009092      6.431256
  H      -9.304359     -3.633955      5.926136
  H      -9.082750     -4.325489      7.558575
  H      -8.198594     -6.889898      4.299497
  H      -9.282624     -5.522716      4.079246
  H      -7.712353     -6.251156      1.789344
  H      -6.988667     -4.651982      1.461608
  H      -8.670140     -4.782212      2.007990
  H      -8.184001     -3.122421      3.557088
  H      -7.210968     -3.393805      5.013553
  H      -6.418440     -3.045755      3.443374
  H      -4.288209     -5.172812      8.862551
  H      -2.586074     -4.415937      9.018717
  H      -4.094906     -6.219465      5.698127
  H      -3.381718     -7.639659      6.433590
  H      -4.765036     -6.818126      7.237265
  H      -0.792043     -5.277481      7.585717
  H      -1.137667     -6.682399      6.563501
  H       0.551177     -5.831379      5.022018
  H       0.782242     -4.319001      5.910356
  H       0.319630     -4.264948      4.198190
  H      -2.552426     -3.030387      6.232769
  H      -0.903710     -3.056653      6.844948
  H      -1.219027     -2.621169      5.151450
  N      -4.624196     -3.475184      5.504203
  H      -5.278913     -2.699913      5.387922
  H      -4.417269     -3.591530      6.504136
86
Coordinates from ORCA-job orca E -5421.834927846392
  N      -3.982034     -3.340870      2.620340
  C      -3.978422     -3.980720      1.254193
  C      -3.175432     -5.275436      1.257409
  N      -3.652454     -6.123194      2.392551
  C      -4.897502     -6.894640      2.044635
  C      -5.740648     -6.979039      3.311234
  N      -5.917567     -5.601737      3.848284
  Mo     -4.121216     -4.655702      4.136392
  N      -2.193732     -5.198798      4.477490
  C      -1.569385     -6.290462      3.685657
  C      -2.608060     -7.066404      2.900977
  H      -1.041940     -7.007852      4.335614
  H      -0.804672     -5.873584      3.006042
  H      -3.113824     -7.780973      3.565774
  H      -2.153390     -7.637378      2.073521
  H      -6.695962     -7.485703      3.104952
  H      -5.226402     -7.611132      4.056685
  H      -5.444634     -6.339640      1.272274
  H      -4.639762     -7.888049      1.640519
  H      -3.524216     -3.325425      0.503255
  H      -5.012977     -4.168542      0.918138
  H      -2.116522     -5.035734      1.428897
  H      -3.261827     -5.818747      0.301477
  C      -1.542401      0.389619      1.119737
  C      -1.455253     -0.434912      2.179828
  C      -0.664159     -0.068152      3.408690
  C      -2.095307     -1.806746      2.176370
  C      -3.621826     -1.865779      2.529020
  C      -4.493128     -1.164071      1.463781
  C      -3.872548     -1.100460      3.831216
  C      -7.292741     -6.104732      6.766887
  C      -8.242431     -5.564517      5.983326
  C      -9.315358     -4.665311      6.536348
  C      -8.303148     -5.866798      4.499919
  C      -7.302359     -5.075697      3.598583
  C      -7.736610     -5.268906      2.129339
  C      -7.411624     -3.574577      3.900399
  C      -3.233322     -5.120828      8.553569
  C      -2.863558     -5.799814      7.452561
  C      -3.843646     -6.679611      6.734119
  C      -1.470708     -5.719016      6.870084
  C      -1.286395     -4.777598      5.622435
  C       0.193500     -4.853031      5.187864
  C      -1.502452     -3.323352      6.059878
  H      -1.075921      1.378737      1.128806
  H      -2.074368      0.103189      0.207279
  H      -1.257905     -0.189593      4.330268
  H      -0.298300      0.967305      3.361864
  H       0.208706     -0.737761      3.510114
  H      -1.584255     -2.452627      2.908988
  H      -1.948700     -2.263418      1.184783
  H      -4.328753     -0.080100      1.528089
  H      -5.557139     -1.365672      1.662856
  H      -4.271929     -1.465677      0.431813
  H      -4.951008     -1.071042      4.065629
  H      -3.327730     -1.521637      4.687982
  H      -3.544924     -0.063072      3.686342
  H      -6.558062     -6.803590      6.357408
  H      -7.226919     -5.879863      7.835359
  H     -10.294737     -5.174487      6.490178
  H      -9.420643     -3.739892      5.946168
  H      -9.120433     -4.395383      7.584245
  H      -8.133579     -6.943580      4.338050
  H      -9.312182     -5.645852      4.115834
  H      -7.728128     -6.323573      1.812120
  H      -7.091239     -4.689294      1.452673
  H      -8.765247     -4.899460      2.011279
  H      -8.374202     -3.198683      3.523353
  H      -7.361165     -3.374241      4.977539
  H      -6.610175     -3.021020      3.392363
  H      -4.246618     -5.207648      8.960336
  H      -2.530704     -4.479210      9.092995
  H      -4.093363     -6.210079      5.748664
  H      -3.405078     -7.655878      6.473353
  H      -4.775328     -6.826203      7.292712
  H      -0.771823     -5.351736      7.636788
  H      -1.140737     -6.734940      6.587511
  H       0.553241     -5.881835      5.047606
  H       0.808139     -4.388273      5.971303
  H       0.353808     -4.291532      4.254150
  H      -2.543208     -3.110310      6.314424
  H      -0.883418     -3.117215      6.945064
  H      -1.190930     -2.635166      5.257787
  N      -4.627271     -3.400910      5.510308
  H      -5.273269     -2.623479      5.394547
  H      -4.400026     -3.511161      6.507185
86
Coordinates from ORCA-job orca E -5421.838145597691
  N      -3.983957     -3.349459      2.612228
  C      -3.972798     -3.989753      1.253629
  C      -3.161486     -5.276504      1.260712
  N      -3.646025     -6.126595      2.383979
  C      -4.884858     -6.894258      2.024275
  C      -5.735080     -6.978552      3.284696
  N      -5.909507     -5.606638      3.821692
  Mo     -4.133184     -4.656312      4.124364
  N      -2.216501     -5.203108      4.479817
  C      -1.582462     -6.289439      3.696996
  C      -2.610614     -7.066151      2.903368
  H      -1.059412     -7.002921      4.354467
  H      -0.812599     -5.869720      3.025253
  H      -3.124898     -7.779948      3.562214
  H      -2.146647     -7.637429      2.081231
  H      -6.692596     -7.478436      3.075400
  H      -5.227773     -7.613041      4.032379
  H      -5.425490     -6.337808      1.248909
  H      -4.622488     -7.886188      1.619511
  H      -3.521394     -3.330007      0.504556
  H      -5.004968     -4.184243      0.915294
  H      -2.105461     -5.033294      1.442747
  H      -3.236672     -5.816977      0.302060
  C      -1.534481      0.369427      1.107802
  C      -1.453498     -0.447999      2.172338
  C      -0.670699     -0.073247      3.402995
  C      -2.093634     -1.820010      2.172356
  C      -3.619513     -1.877696      2.523148
  C      -4.488652     -1.180062      1.454360
  C      -3.873404     -1.109898      3.821114
  C      -7.273778     -6.199582      6.742398
  C      -8.207625     -5.597880      5.986959
  C      -9.238130     -4.674613      6.577884
  C      -8.296230     -5.858165      4.497808
  C      -7.292960     -5.063742      3.600710
  C      -7.743761     -5.226582      2.133957
  C      -7.375244     -3.569181      3.933243
  C      -3.265575     -5.096718      8.545440
  C      -2.894753     -5.783839      7.450499
  C      -3.874269     -6.670271      6.740857
  C      -1.503076     -5.705638      6.869250
  C      -1.319449     -4.765287      5.626368
  C       0.164551     -4.825380      5.201420
  C      -1.552990     -3.312832      6.057233
  H      -1.068342      1.358182      1.114147
  H      -2.060433      0.076567      0.194696
  H      -1.270746     -0.185269      4.321101
  H      -0.301437      0.960362      3.350780
  H       0.198987     -0.744356      3.517175
  H      -1.582617     -2.463491      2.906660
  H      -1.945651     -2.279748      1.182790
  H      -4.323687     -0.096091      1.512959
  H      -5.552868     -1.378952      1.652986
  H      -4.265829     -1.486662      0.424553
  H      -4.951228     -1.080963      4.054577
  H      -3.327781     -1.522534      4.679551
  H      -3.549530     -0.071980      3.671055
  H      -6.575725     -6.916346      6.303146
  H      -7.186514     -6.010087      7.815994
  H     -10.237704     -5.141039      6.523778
  H      -9.310656     -3.727204      6.019328
  H      -9.024958     -4.446967      7.631888
  H      -8.157138     -6.933435      4.304011
  H      -9.305975     -5.605121      4.136281
  H      -7.752522     -6.275127      1.799817
  H      -7.098750     -4.644431      1.459881
  H      -8.768704     -4.842631      2.032564
  H      -8.348616     -3.178479      3.602328
  H      -7.279402     -3.388999      5.010410
  H      -6.591219     -3.011731      3.402838
  H      -4.278298     -5.184996      8.951966
  H      -2.564741     -4.449613      9.079513
  H      -4.124984     -6.216703      5.749649
  H      -3.438169     -7.651115      6.494240
  H      -4.806760     -6.805506      7.299572
  H      -0.804162     -5.339263      7.636296
  H      -1.172914     -6.721129      6.586960
  H       0.536583     -5.849202      5.061359
  H       0.769097     -4.357186      5.990352
  H       0.326481     -4.258808      4.271720
  H      -2.593329     -3.106843      6.319305
  H      -0.930492     -3.096561      6.937261
  H      -1.253785     -2.624243      5.252139
  N      -4.628509     -3.411555      5.504793
  H      -5.216292     -2.589455      5.384572
  H      -4.360215     -3.505220      6.493469
86
Coordinates from ORCA-job orca E -5421.841080763167
  N      -3.981117     -3.363923      2.612794
  C      -3.967502     -4.004411      1.263250
  C      -3.146960     -5.281302      1.272261
  N      -3.633389     -6.130883      2.386820
  C      -4.866167     -6.895052      2.021563
  C      -5.722384     -6.978647      3.275561
  N      -5.893073     -5.613904      3.813488
  Mo     -4.131983     -4.662666      4.121871
  N      -2.222578     -5.208475      4.485129
  C      -1.583386     -6.285766      3.704871
  C      -2.603905     -7.065016      2.909739
  H      -1.058831     -6.996363      4.364127
  H      -0.813602     -5.861054      3.036265
  H      -3.120540     -7.779916      3.565480
  H      -2.133640     -7.635156      2.090281
  H      -6.682352     -7.469064      3.058453
  H      -5.225572     -7.619027      4.025114
  H      -5.403011     -6.337834      1.244238
  H      -4.601281     -7.886081      1.616232
  H      -3.524062     -3.340866      0.512392
  H      -4.998857     -4.208577      0.928397
  H      -2.093818     -5.031756      1.460797
  H      -3.213323     -5.820759      0.312255
  C      -1.565421      0.371440      1.099762
  C      -1.479005     -0.441135      2.166004
  C      -0.702887     -0.054686      3.396415
  C      -2.105562     -1.819536      2.168054
  C      -3.629575     -1.892262      2.521433
  C      -4.509219     -1.207180      1.454018
  C      -3.887617     -1.123927      3.816473
  C      -7.339923     -6.255588      6.745121
  C      -8.222853     -5.594713      5.981161
  C      -9.215618     -4.627482      6.565105
  C      -8.297658     -5.834478      4.488867
  C      -7.270519     -5.052129      3.605522
  C      -7.716709     -5.200994      2.136743
  C      -7.326198     -3.559985      3.947322
  C      -3.240974     -5.100851      8.549059
  C      -2.886105     -5.787681      7.449457
  C      -3.877911     -6.667533      6.748903
  C      -1.500714     -5.717262      6.857939
  C      -1.323998     -4.767645      5.627059
  C       0.158670     -4.822130      5.195769
  C      -1.553864     -3.318145      6.066854
  H      -1.108785      1.364219      1.104164
  H      -2.086632      0.070395      0.187228
  H      -1.304205     -0.166724      4.313182
  H      -0.341151      0.981089      3.340545
  H       0.171175     -0.718567      3.516598
  H      -1.586269     -2.457232      2.901384
  H      -1.954836     -2.278302      1.178777
  H      -4.355443     -0.121521      1.507344
  H      -5.570437     -1.415858      1.657015
  H      -4.286194     -1.515762      0.425008
  H      -4.963645     -1.108174      4.054835
  H      -3.331980     -1.523175      4.672939
  H      -3.579787     -0.081946      3.659878
  H      -6.677420     -7.006120      6.309672
  H      -7.264895     -6.085345      7.822761
  H     -10.236677     -5.039123      6.482378
  H      -9.226473     -3.669289      6.021250
  H      -9.014185     -4.427627      7.626748
  H      -8.185216     -6.910211      4.283008
  H      -9.297524     -5.552768      4.121353
  H      -7.743977     -6.247593      1.799767
  H      -7.056565     -4.630252      1.467829
  H      -8.733318     -4.797032      2.030812
  H      -8.304534     -3.157018      3.648286
  H      -7.194829     -3.387094      5.021545
  H      -6.552585     -3.007621      3.396125
  H      -4.248151     -5.188368      8.967200
  H      -2.531086     -4.459296      9.077083
  H      -4.134816     -6.223048      5.755814
  H      -3.453856     -7.655315      6.509060
  H      -4.806808     -6.787623      7.314776
  H      -0.790691     -5.366016      7.621777
  H      -1.182691     -6.732151      6.561352
  H       0.530793     -5.843412      5.041666
  H       0.766301     -4.364094      5.988095
  H       0.317293     -4.243602      4.273364
  H      -2.585894     -3.111105      6.352330
  H      -0.913273     -3.104689      6.934133
  H      -1.271935     -2.626106      5.259557
  N      -4.621836     -3.423284      5.505613
  H      -5.216626     -2.605317      5.391813
  H      -4.358919     -3.527433      6.493894
86
Coordinates from ORCA-job orca E -5421.843081515823
  N      -3.968989     -3.369533      2.590797
  C      -3.940437     -4.014955      1.252443
  C      -3.119370     -5.287590      1.278103
  N      -3.626318     -6.129164      2.382280
  C      -4.855699     -6.882041      2.001737
  C      -5.726633     -6.959534      3.243754
  N      -5.889338     -5.601572      3.783491
  Mo     -4.142587     -4.654396      4.099880
  N      -2.248581     -5.208698      4.493128
  C      -1.603994     -6.285921      3.727052
  C      -2.614983     -7.063852      2.923184
  H      -1.090141     -6.995217      4.395950
  H      -0.824172     -5.865538      3.067463
  H      -3.145537     -7.773357      3.573710
  H      -2.134068     -7.640213      2.114083
  H      -6.690231     -7.435815      3.013741
  H      -5.247462     -7.608939      3.996982
  H      -5.379999     -6.322047      1.217879
  H      -4.591724     -7.874369      1.598975
  H      -3.492225     -3.353106      0.502293
  H      -4.968142     -4.224079      0.909398
  H      -2.070069     -5.037059      1.484615
  H      -3.168455     -5.829656      0.318354
  C      -1.546780      0.361331      1.084144
  C      -1.470987     -0.445536      2.154225
  C      -0.709223     -0.052080      3.390705
  C      -2.094824     -1.825230      2.154813
  C      -3.621274     -1.900310      2.494276
  C      -4.494788     -1.226829      1.415460
  C      -3.891409     -1.124196      3.780975
  C      -7.282504     -6.385361      6.701753
  C      -8.156643     -5.656058      5.992522
  C      -9.093244     -4.676989      6.644987
  C      -8.281798     -5.832425      4.495264
  C      -7.266211     -5.029884      3.617513
  C      -7.733239     -5.141770      2.152167
  C      -7.310541     -3.548496      3.997667
  C      -3.297377     -5.064705      8.539145
  C      -2.940354     -5.760242      7.446551
  C      -3.936897     -6.635010      6.747903
  C      -1.551541     -5.707139      6.863524
  C      -1.360095     -4.759268      5.637462
  C       0.127318     -4.814053      5.220742
  C      -1.588591     -3.308056      6.070072
  H      -1.091742      1.354482      1.088998
  H      -2.057855      0.055101      0.168124
  H      -1.320580     -0.158518      4.301019
  H      -0.346474      0.982980      3.333056
  H       0.162979     -0.715304      3.524938
  H      -1.580423     -2.459455      2.894521
  H      -1.934293     -2.286506      1.168475
  H      -4.344656     -0.140456      1.459531
  H      -5.556602     -1.436597      1.612546
  H      -4.262879     -1.544637      0.391242
  H      -4.967908     -1.112385      4.012419
  H      -3.338744     -1.511985      4.643110
  H      -3.589528     -0.081366      3.617642
  H      -6.666289     -7.143830      6.215735
  H      -7.171685     -6.267269      7.783474
  H     -10.131899     -5.042981      6.571576
  H      -9.078747     -3.695319      6.145748
  H      -8.857537     -4.534260      7.708530
  H      -8.194425     -6.899962      4.241301
  H      -9.286955     -5.520412      4.169144
  H      -7.774162     -6.179949      1.793239
  H      -7.076021     -4.563309      1.487339
  H      -8.747279     -4.726718      2.067692
  H      -8.303263     -3.143242      3.756062
  H      -7.127971     -3.402813      5.068040
  H      -6.565741     -2.978764      3.424367
  H      -4.308406     -5.145188      8.949829
  H      -2.587095     -4.425931      9.069342
  H      -4.184486     -6.203978      5.749227
  H      -3.525630     -7.632767      6.527585
  H      -4.871152     -6.732750      7.308398
  H      -0.839612     -5.367992      7.630982
  H      -1.246321     -6.725159      6.565587
  H       0.500379     -5.834434      5.066784
  H       0.727642     -4.359876      6.020647
  H       0.296056     -4.232116      4.302653
  H      -2.614274     -3.096140      6.367899
  H      -0.937505     -3.089831      6.927854
  H      -1.316275     -2.620613      5.256231
  N      -4.631394     -3.411757      5.477107
  H      -5.199580     -2.576300      5.354638
  H      -4.415082     -3.542648      6.472581
86
Coordinates from ORCA-job orca E -5421.844425176597
  N      -3.969164     -3.374766      2.585660
  C      -3.941338     -4.021228      1.253801
  C      -3.115225     -5.288816      1.282644
  N      -3.622609     -6.127641      2.384204
  C      -4.848414     -6.879209      2.003545
  C      -5.722863     -6.954502      3.241617
  N      -5.880939     -5.600530      3.780292
  Mo     -4.143923     -4.652104      4.094232
  N      -2.257574     -5.206971      4.497530
  C      -1.609102     -6.278567      3.733801
  C      -2.615484     -7.058619      2.929246
  H      -1.094202     -6.986687      4.403207
  H      -0.829344     -5.855838      3.075681
  H      -3.147321     -7.767910      3.579046
  H      -2.129716     -7.636263      2.123713
  H      -6.688110     -7.422624      3.004092
  H      -5.253245     -7.609058      3.996584
  H      -5.371848     -6.320975      1.217811
  H      -4.583960     -7.872055      1.602355
  H      -3.499197     -3.358751      0.500275
  H      -4.969283     -4.236821      0.914567
  H      -2.068026     -5.033125      1.492616
  H      -3.157958     -5.831992      0.323052
  C      -1.548365      0.355779      1.081549
  C      -1.469930     -0.456719      2.146290
  C      -0.701021     -0.072466      3.380894
  C      -2.097269     -1.834685      2.141761
  C      -3.622047     -1.908327      2.487207
  C      -4.500124     -1.234700      1.412824
  C      -3.884375     -1.133202      3.775859
  C      -7.338083     -6.467500      6.690593
  C      -8.169388     -5.686994      5.985715
  C      -9.075845     -4.686760      6.648610
  C      -8.283478     -5.829561      4.484788
  C      -7.254590     -5.021485      3.627273
  C      -7.713279     -5.110051      2.157229
  C      -7.290606     -3.546424      4.026130
  C      -3.288817     -5.049212      8.542236
  C      -2.940213     -5.746209      7.448365
  C      -3.943840     -6.620070      6.758105
  C      -1.554579     -5.696391      6.858614
  C      -1.369859     -4.746227      5.635411
  C       0.118082     -4.786653      5.216768
  C      -1.608824     -3.296630      6.066673
  H      -1.090440      1.347257      1.089477
  H      -2.065164      0.056152      0.166968
  H      -1.308132     -0.181239      4.293370
  H      -0.334576      0.961243      3.326689
  H       0.169081     -0.739537      3.507407
  H      -1.581061     -2.474181      2.875607
  H      -1.942320     -2.290575      1.152227
  H      -4.347507     -0.148736      1.453331
  H      -5.560875     -1.441987      1.616644
  H      -4.274670     -1.555772      0.388234
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  H      -3.326019     -1.521348      4.633642
  H      -3.584773     -0.089919      3.611912
  H      -6.747863     -7.242586      6.198458
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  H     -10.126600     -5.009022      6.550905
  H      -9.015034     -3.694327      6.175983
  H      -8.851408     -4.580645      7.718618
  H      -8.207388     -6.892365      4.209265
  H      -9.282430     -5.498863      4.158325
  H      -7.766468     -6.143165      1.786958
  H      -7.041445     -4.535258      1.504104
  H      -8.720225     -4.679139      2.068811
  H      -8.287787     -3.138923      3.809675
  H      -7.085299     -3.414822      5.093662
  H      -6.556330     -2.970173      3.445287
  H      -4.296555     -5.129558      8.959803
  H      -2.574468     -4.411637      9.067760
  H      -4.196217     -6.200051      5.757152
  H      -3.540069     -7.623350      6.549000
  H      -4.876150     -6.705286      7.323113
  H      -0.836124     -5.364118      7.622887
  H      -1.255964     -6.714139      6.554462
  H       0.500121     -5.802511      5.058198
  H       0.715415     -4.330861      6.017698
  H       0.280856     -4.199468      4.301203
  H      -2.628883     -3.094796      6.387460
  H      -0.941227     -3.067680      6.908409
  H      -1.363010     -2.609132      5.244707
  N      -4.623702     -3.410882      5.474637
  H      -5.167003     -2.558765      5.353517
  H      -4.410703     -3.551285      6.469036
86
Coordinates from ORCA-job orca E -5421.845554395413
  N      -3.961539     -3.379198      2.575611
  C      -3.930102     -4.026348      1.250097
  C      -3.100818     -5.289950      1.285610
  N      -3.615528     -6.124852      2.382521
  C      -4.838274     -6.871805      1.997825
  C      -5.719826     -6.945836      3.229140
  N      -5.872786     -5.596352      3.768945
  Mo     -4.143851     -4.649936      4.082334
  N      -2.269236     -5.212025      4.505471
  C      -1.617289     -6.278026      3.744454
  C      -2.618437     -7.056107      2.935172
  H      -1.104889     -6.987749      4.414440
  H      -0.834407     -5.853985      3.090887
  H      -3.156459     -7.763538      3.581999
  H      -2.126394     -7.636584      2.135264
  H      -6.686097     -7.403035      2.977558
  H      -5.265023     -7.608816      3.986034
  H      -5.358055     -6.313588      1.209663
  H      -4.574501     -7.865265      1.597575
  H      -3.491646     -3.363726      0.494300
  H      -4.957031     -4.248029      0.910954
  H      -2.056513     -5.030134      1.504284
  H      -3.132969     -5.834383      0.326208
  C      -1.551689      0.358319      1.078046
  C      -1.476506     -0.450372      2.145139
  C      -0.719016     -0.058206      3.383986
  C      -2.095948     -1.831841      2.139509
  C      -3.622628     -1.913718      2.474561
  C      -4.498011     -1.250144      1.393027
  C      -3.896261     -1.136093      3.759157
  C      -7.363269     -6.531709      6.682229
  C      -8.162773     -5.709612      5.989483
  C      -9.037817     -4.694503      6.672063
  C      -8.278948     -5.821949      4.487121
  C      -7.245499     -5.012998      3.634977
  C      -7.706938     -5.090178      2.163967
  C      -7.274030     -3.540919      4.040111
  C      -3.289373     -5.032463      8.544280
  C      -2.953249     -5.734529      7.450045
  C      -3.967381     -6.602692      6.765849
  C      -1.568749     -5.697951      6.857938
  C      -1.379434     -4.747527      5.637304
  C       0.107867     -4.794420      5.215793
  C      -1.608699     -3.296399      6.067461
  H      -1.099750      1.352239      1.086249
  H      -2.060284      0.053230      0.161071
  H      -1.332963     -0.164789      4.291733
  H      -0.355523      0.976224      3.327945
  H       0.152022     -0.721739      3.520208
  H      -1.581334     -2.466663      2.878416
  H      -1.931575     -2.288423      1.152043
  H      -4.349152     -0.163597      1.426237
  H      -5.558506     -1.460187      1.594217
  H      -4.267027     -1.578653      0.372046
  H      -4.971935     -1.130844      3.989848
  H      -3.339924     -1.518749      4.619833
  H      -3.603081     -0.091198      3.594553
  H      -6.792761     -7.315605      6.180589
  H      -7.272869     -6.464319      7.769353
  H     -10.097960     -4.978549      6.561212
  H      -8.940868     -3.693108      6.226836
  H      -8.816172     -4.623993      7.745364
  H      -8.214591     -6.880467      4.194673
  H      -9.274978     -5.475005      4.169098
  H      -7.776793     -6.121137      1.791516
  H      -7.023668     -4.526336      1.513542
  H      -8.706284     -4.642312      2.074741
  H      -8.279565     -3.138051      3.858424
  H      -7.031749     -3.411632      5.099547
  H      -6.560950     -2.960332      3.436921
  H      -4.294213     -5.103433      8.968128
  H      -2.566478     -4.401206      9.065160
  H      -4.220171     -6.194557      5.761633
  H      -3.575876     -7.613841      6.571730
  H      -4.900419     -6.669701      7.332449
  H      -0.843377     -5.378872      7.621182
  H      -1.284453     -6.717743      6.548268
  H       0.483610     -5.811158      5.049800
  H       0.709567     -4.347649      6.018104
  H       0.272270     -4.202645      4.303680
  H      -2.616036     -3.093195      6.423052
  H      -0.912710     -3.062771      6.884215
  H      -1.391413     -2.613688      5.234004
  N      -4.612539     -3.411898      5.467722
  H      -5.116258     -2.535439      5.349421
  H      -4.426815     -3.578942      6.463219
86
Coordinates from ORCA-job orca E -5421.846448145327
  N      -3.956304     -3.379696      2.566786
  C      -3.921767     -4.028623      1.245529
  C      -3.090715     -5.290381      1.288000
  N      -3.612225     -6.121237      2.382411
  C      -4.833430     -6.864379      1.994857
  C      -5.720920     -6.936926      3.220926
  N      -5.868415     -5.589924      3.761763
  Mo     -4.144513     -4.645379      4.072631
  N      -2.281539     -5.215560      4.515666
  C      -1.626754     -6.278786      3.757566
  C      -2.624399     -7.054083      2.943086
  H      -1.117953     -6.990723      4.428162
  H      -0.840454     -5.855272      3.107881
  H      -3.168991     -7.758551      3.587645
  H      -2.127422     -7.638475      2.148928
  H      -6.688027     -7.384175      2.956439
  H      -5.279906     -7.607659      3.979234
  H      -5.350571     -6.306547      1.204710
  H      -4.571062     -7.858731      1.595700
  H      -3.485120     -3.367255      0.487558
  H      -4.947713     -4.254716      0.905516
  H      -2.048864     -5.027361      1.514211
  H      -3.113747     -5.836728      0.329358
  C      -1.553957      0.359340      1.064132
  C      -1.472189     -0.453606      2.126966
  C      -0.705755     -0.067391      3.361998
  C      -2.093227     -1.834208      2.119969
  C      -3.617778     -1.916220      2.464646
  C      -4.499847     -1.250060      1.390991
  C      -3.881399     -1.141380      3.753111
  C      -7.387983     -6.622810      6.652901
  C      -8.154354     -5.752511      5.982758
  C      -8.988966     -4.724439      6.696235
  C      -8.278148     -5.822856      4.479246
  C      -7.240703     -5.004638      3.642062
  C      -7.698776     -5.059143      2.167749
  C      -7.269110     -3.538278      4.064819
  C      -3.305806     -5.003605      8.546450
  C      -2.972408     -5.713183      7.456642
  C      -3.989669     -6.583015      6.778998
  C      -1.586660     -5.684559      6.866328
  C      -1.393456     -4.739534      5.642345
  C       0.095946     -4.782916      5.225934
  C      -1.628339     -3.286787      6.063482
  H      -1.101146      1.352576      1.072922
  H      -2.069329      0.058660      0.149840
  H      -1.314218     -0.174645      4.273015
  H      -0.339456      0.965861      3.306349
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  H      -1.574841     -2.472374      2.853065
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  H      -4.346419     -0.164256      1.421697
  H      -5.558920     -1.456417      1.602207
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  H      -4.954751     -1.141889      3.994052
  H      -3.313325     -1.523777      4.605781
  H      -3.595402     -0.094709      3.588619
  H      -6.842866     -7.412877      6.133389
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  H     -10.059116     -4.962392      6.575557
  H      -8.850840     -3.713939      6.285074
  H      -8.766811     -4.698385      7.771216
  H      -8.225856     -6.874038      4.160320
  H      -9.271605     -5.457001      4.175112
  H      -7.781033     -6.084561      1.783537
  H      -7.003217     -4.498473      1.528060
  H      -8.691112     -4.596350      2.078035
  H      -8.280533     -3.140466      3.908237
  H      -7.004050     -3.418427      5.119398
  H      -6.570782     -2.947511      3.453919
  H      -4.310556     -5.068445      8.970909
  H      -2.581047     -4.372046      9.063801
  H      -4.242512     -6.188807      5.770802
  H      -3.603625     -7.599409      6.602423
  H      -4.923765     -6.637131      7.345590
  H      -0.859841     -5.369275      7.629609
  H      -1.308729     -6.706330      6.558346
  H       0.475023     -5.798018      5.060132
  H       0.693938     -4.335799      6.030400
  H       0.261955     -4.190024      4.315037
  H      -2.626302     -3.091960      6.449056
  H      -0.910113     -3.037183      6.855590
  H      -1.444607     -2.611278      5.216643
  N      -4.599052     -3.411621      5.466804
  H      -5.075869     -2.518841      5.357725
  H      -4.437755     -3.606698      6.461529
86
Coordinates from ORCA-job orca E -5421.846173947442
  N      -3.954746     -3.375407      2.552122
  C      -3.916102     -4.031490      1.235124
  C      -3.087514     -5.295747      1.288676
  N      -3.617105     -6.120648      2.383218
  C      -4.837617     -6.860565      1.992964
  C      -5.729436     -6.926564      3.214777
  N      -5.869614     -5.578292      3.751282
  Mo     -4.148588     -4.632957      4.061140
  N      -2.293284     -5.211286      4.519534
  C      -1.639881     -6.279889      3.769925
  C      -2.637140     -7.054533      2.955017
  H      -1.135896     -6.990841      4.445895
  H      -0.849651     -5.863296      3.121017
  H      -3.188494     -7.752312      3.601204
  H      -2.137732     -7.646720      2.167831
  H      -6.698853     -7.365732      2.944006
  H      -5.298717     -7.600855      3.976314
  H      -5.351119     -6.304394      1.199243
  H      -4.576747     -7.856845      1.598014
  H      -3.476877     -3.375511      0.474417
  H      -4.941106     -4.258218      0.892434
  H      -2.046754     -5.033478      1.521066
  H      -3.104357     -5.845726      0.331907
  C      -1.526899      0.354911      1.061173
  C      -1.455393     -0.459785      2.123138
  C      -0.692143     -0.079456      3.361619
  C      -2.083663     -1.837756      2.111274
  C      -3.610939     -1.914342      2.449854
  C      -4.485789     -1.244362      1.373346
  C      -3.878110     -1.142018      3.739240
  C      -7.406298     -6.758588      6.629903
  C      -8.145929     -5.819353      5.983181
  C      -8.943092     -4.778612      6.741330
  C      -8.282787     -5.827341      4.466089
  C      -7.242858     -4.991295      3.644946
  C      -7.697895     -5.019935      2.165804
  C      -7.273342     -3.528779      4.093321
  C      -3.323761     -4.943870      8.539737
  C      -2.990852     -5.673403      7.461155
  C      -4.006835     -6.555636      6.793667
  C      -1.603519     -5.654780      6.874427
  C      -1.402949     -4.724343      5.639954
  C       0.086998     -4.780510      5.224924
  C      -1.629377     -3.264404      6.043141
  H      -1.068213      1.345885      1.072926
  H      -2.038860      0.057843      0.144397
  H      -1.306700     -0.182463      4.269233
  H      -0.317405      0.951656      3.307885
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  H      -1.571158     -2.479569      2.845110
  H      -1.923911     -2.289214      1.121007
  H      -4.325893     -0.159163      1.402646
  H      -5.546956     -1.444400      1.582306
  H      -4.264070     -1.578964      0.352363
  H      -4.952608     -1.142577      3.976226
  H      -3.313091     -1.527480      4.591410
  H      -3.590874     -0.095429      3.579331
  H      -6.888589     -7.557563      6.080654
  H      -7.316607     -6.772792      7.729950
  H     -10.028128     -4.976885      6.597576
  H      -8.768226     -3.738778      6.373691
  H      -8.714563     -4.810457      7.830320
  H      -8.247313     -6.875038      4.104580
  H      -9.274166     -5.431925      4.180350
  H      -7.785107     -6.040690      1.764449
  H      -6.995981     -4.452517      1.536909
  H      -8.687096     -4.549140      2.080016
  H      -8.287613     -3.130384      3.956935
  H      -6.995640     -3.424066      5.147420
  H      -6.585693     -2.925850      3.481888
  H      -4.328936     -4.996795      8.964163
  H      -2.598037     -4.304251      9.047379
  H      -4.260905     -6.178479      5.778050
  H      -3.620162     -7.575814      6.636118
  H      -4.941598     -6.601200      7.360801
  H      -0.877474     -5.334943      7.635762
  H      -1.330087     -6.681011      6.577876
  H       0.459646     -5.798992      5.067102
  H       0.687320     -4.331345      6.026032
  H       0.257908     -4.195808      4.309943
  H      -2.619718     -3.066156      6.451333
  H      -0.891265     -3.000612      6.815896
  H      -1.464335     -2.602231      5.179305
  N      -4.606515     -3.415518      5.469011
  H      -5.072090     -2.523342      5.374963
  H      -4.442361     -3.605741      6.450668
86
Coordinates from ORCA-job orca E -5421.847329619716
  N      -3.958444     -3.369123      2.527301
  C      -3.918427     -4.032806      1.214348
  C      -3.092260     -5.302595      1.278074
  N      -3.623756     -6.123390      2.374992
  C      -4.838912     -6.867336      1.988151
  C      -5.729550     -6.928477      3.208262
  N      -5.862336     -5.577414      3.734738
  Mo     -4.147952     -4.620735      4.034370
  N      -2.303524     -5.207161      4.514141
  C      -1.651782     -6.277856      3.768810
  C      -2.648173     -7.054269      2.955974
  H      -1.148045     -6.988020      4.445999
  H      -0.861628     -5.865597      3.118380
  H      -3.202189     -7.746599      3.604686
  H      -2.145860     -7.653808      2.176022
  H      -6.700086     -7.358961      2.929102
  H      -5.310640     -7.605790      3.973398
  H      -5.355887     -6.318383      1.192243
  H      -4.575670     -7.865383      1.598869
  H      -3.479556     -3.383350      0.448397
  H      -4.943432     -4.260239      0.871657
  H      -2.053118     -5.039060      1.514874
  H      -3.102622     -5.856310      0.323632
  C      -1.497790      0.372496      1.109627
  C      -1.438949     -0.464423      2.151127
  C      -0.673138     -0.119498      3.397306
  C      -2.079904     -1.835917      2.105750
  C      -3.611090     -1.911450      2.437434
  C      -4.480503     -1.224733      1.369708
  C      -3.879948     -1.163611      3.739591
  C      -7.423893     -6.771279      6.626724
  C      -8.146312     -5.836616      5.981664
  C      -8.939459     -4.801506      6.736599
  C      -8.274155     -5.843299      4.473099
  C      -7.241490     -4.999325      3.650100
  C      -7.705610     -5.025824      2.173191
  C      -7.278263     -3.537059      4.097862
  C      -3.320931     -4.871876      8.523571
  C      -2.994966     -5.630629      7.460298
  C      -4.010259     -6.534260      6.813151
  C      -1.608749     -5.620965      6.871163
  C      -1.405465     -4.707461      5.623037
  C       0.083847     -4.777536      5.204700
  C      -1.622863     -3.239955      6.006197
  H      -1.027829      1.357824      1.144346
  H      -2.009144      0.100096      0.186802
  H      -1.292790     -0.233458      4.297693
  H      -0.283562      0.907431      3.367087
  H       0.182572     -0.804833      3.517981
  H      -1.573969     -2.496319      2.826018
  H      -1.919697     -2.266287      1.108001
  H      -4.310643     -0.141997      1.409455
  H      -5.544318     -1.418220      1.577184
  H      -4.261854     -1.553084      0.346427
  H      -4.955330     -1.173950      3.974488
  H      -3.313657     -1.563355      4.580050
  H      -3.595429     -0.115597      3.602137
  H      -6.902929     -7.564495      6.086881
  H      -7.354750     -6.787979      7.721784
  H     -10.018165     -4.994997      6.607215
  H      -8.763788     -3.780142      6.366968
  H      -8.714834     -4.826059      7.812134
  H      -8.228055     -6.885121      4.115660
  H      -9.267494     -5.458906      4.191024
  H      -7.805584     -6.045795      1.773353
  H      -6.997550     -4.467464      1.543366
  H      -8.690047     -4.543597      2.089602
  H      -8.301359     -3.154570      3.991439
  H      -6.969177     -3.426120      5.141059
  H      -6.614967     -2.924283      3.468358
  H      -4.324056     -4.905825      8.954313
  H      -2.590721     -4.218638      9.010979
  H      -4.275315     -6.184173      5.789710
  H      -3.619166     -7.556625      6.682724
  H      -4.941446     -6.571970      7.386120
  H      -0.879923     -5.296266      7.627080
  H      -1.342558     -6.651991      6.585807
  H       0.448022     -5.799357      5.050492
  H       0.689809     -4.329841      6.001950
  H       0.257657     -4.199101      4.286414
  H      -2.595585     -3.043561      6.464507
  H      -0.844681     -2.953881      6.738376
  H      -1.504997     -2.595550      5.115786
  N      -4.624508     -3.461501      5.489923
  H      -5.077379     -2.576541      5.436299
  H      -4.440638     -3.646422      6.451066
86
Coordinates from ORCA-job orca E -5421.849165283067
  N      -3.935455     -3.369488      2.501413
  C      -3.887818     -4.041596      1.192973
  C      -3.074454     -5.320881      1.273372
  N      -3.620243     -6.130714      2.372898
  C      -4.835571     -6.868957      1.983248
  C      -5.734226     -6.919846      3.195335
  N      -5.851139     -5.566713      3.720796
  Mo     -4.132026     -4.615436      4.008359
  N      -2.301017     -5.218122      4.519037
  C      -1.656319     -6.294969      3.778778
  C      -2.655136     -7.066228      2.965220
  H      -1.159878     -7.009006      4.457906
  H      -0.860793     -5.892524      3.129068
  H      -3.217588     -7.751348      3.614932
  H      -2.151462     -7.674904      2.193240
  H      -6.707606     -7.332731      2.896633
  H      -5.339566     -7.609624      3.964114
  H      -5.346927     -6.321626      1.182009
  H      -4.577631     -7.870696      1.599922
  H      -3.439325     -3.402436      0.424275
  H      -4.911935     -4.263702      0.843379
  H      -2.036199     -5.062051      1.520508
  H      -3.076883     -5.880888      0.322780
  C      -1.518789      0.408496      1.110261
  C      -1.458445     -0.429491      2.150815
  C      -0.705597     -0.078877      3.403898
  C      -2.079600     -1.809026      2.095907
  C      -3.612636     -1.909501      2.413422
  C      -4.485298     -1.233678      1.342730
  C      -3.901401     -1.175995      3.718790
  C      -7.439468     -6.799114      6.623110
  C      -8.136626     -5.842277      5.987217
  C      -8.906808     -4.798928      6.754917
  C      -8.264859     -5.828698      4.480289
  C      -7.230852     -4.985892      3.656867
  C      -7.705149     -5.001505      2.181141
  C      -7.260874     -3.523028      4.104960
  C      -3.324773     -4.847784      8.520922
  C      -3.006782     -5.624289      7.466184
  C      -4.024970     -6.529495      6.822768
  C      -1.619298     -5.630318      6.880713
  C      -1.402629     -4.723384      5.628153
  C       0.088400     -4.805581      5.217922
  C      -1.614445     -3.252091      6.004543
  H      -1.060980      1.399204      1.150197
  H      -2.019313      0.131906      0.182164
  H      -1.330191     -0.201888      4.299160
  H      -0.327554      0.951963      3.378662
  H       0.156700     -0.754170      3.528746
  H      -1.570946     -2.464311      2.819216
  H      -1.904769     -2.233054      1.097939
  H      -4.329077     -0.149833      1.384084
  H      -5.546912     -1.441731      1.544518
  H      -4.258313     -1.559762      0.320948
  H      -4.976774     -1.212846      3.946198
  H      -3.329461     -1.572064      4.557376
  H      -3.638185     -0.122418      3.592763
  H      -6.930205     -7.596768      6.081097
  H      -7.384033     -6.831519      7.717826
  H      -9.987955     -4.968700      6.631724
  H      -8.712949     -3.782642      6.395422
  H      -8.679970     -4.836508      7.825017
  H      -8.224001     -6.866673      4.115423
  H      -9.256565     -5.433359      4.206943
  H      -7.830342     -6.019117      1.780403
  H      -6.983588     -4.459766      1.551238
  H      -8.678781     -4.494772      2.100408
  H      -8.282425     -3.143754      4.016651
  H      -6.931924     -3.407575      5.139118
  H      -6.608439     -2.910753      3.468308
  H      -4.327878     -4.858517      8.952842
  H      -2.586874     -4.195143      8.999703
  H      -4.287176     -6.192702      5.795291
  H      -3.637925     -7.555960      6.711368
  H      -4.958088     -6.556559      7.393158
  H      -0.886938     -5.312551      7.636180
  H      -1.368134     -6.666604      6.597666
  H       0.443142     -5.830558      5.060160
  H       0.694768     -4.367375      6.020171
  H       0.272561     -4.225369      4.302194
  H      -2.573083     -3.056802      6.487823
  H      -0.819038     -2.957399      6.712209
  H      -1.523225     -2.616082      5.104921
  N      -4.624246     -3.505010      5.497568
  H      -5.035863     -2.581588      5.457794
  H      -4.438531     -3.735837      6.480054
86
Coordinates from ORCA-job orca E -5421.849319273951
  N      -3.888290     -3.371092      2.495403
  C      -3.832795     -4.045275      1.184658
  C      -3.043335     -5.338629      1.273648
  N      -3.614504     -6.143388      2.371518
  C      -4.842934     -6.860821      1.971269
  C      -5.745735     -6.904698      3.182515
  N      -5.838950     -5.548702      3.718283
  Mo     -4.100786     -4.618148      4.002913
  N      -2.279057     -5.257732      4.528298
  C      -1.652164     -6.347697      3.787060
  C      -2.665125     -7.098858      2.968536
  H      -1.172108     -7.072223      4.467286
  H      -0.846020     -5.960201      3.138888
  H      -3.243465     -7.774160      3.616980
  H      -2.171229     -7.715571      2.197666
  H      -6.725700     -7.298147      2.875876
  H      -5.366865     -7.608451      3.947095
  H      -5.342984     -6.298533      1.171530
  H      -4.600964     -7.864115      1.581996
  H      -3.364968     -3.411956      0.421153
  H      -4.856232     -4.251856      0.823365
  H      -2.002611     -5.097509      1.531144
  H      -3.047081     -5.897107      0.322321
  C      -1.592839      0.449821      1.054868
  C      -1.524946     -0.349552      2.133228
  C      -0.832820      0.076475      3.401000
  C      -2.081632     -1.753641      2.112118
  C      -3.609199     -1.905444      2.402287
  C      -4.480398     -1.274601      1.300227
  C      -3.952835     -1.172160      3.695403
  C      -7.422720     -6.723299      6.632696
  C      -8.118415     -5.783845      5.990124
  C      -8.884893     -4.731071      6.743162
  C      -8.245180     -5.792177      4.491034
  C      -7.217063     -4.963333      3.655800
  C      -7.700110     -4.989729      2.186116
  C      -7.247643     -3.501069      4.089218
  C      -3.308086     -4.922395      8.547434
  C      -2.999422     -5.685110      7.485005
  C      -4.023440     -6.570883      6.839258
  C      -1.612385     -5.699685      6.895842
  C      -1.382128     -4.786631      5.648213
  C       0.108935     -4.888280      5.251955
  C      -1.588935     -3.317434      6.030197
  H      -1.184649      1.459642      1.070768
  H      -2.053039      0.120499      0.118693
  H      -1.479473     -0.036507      4.286363
  H      -0.498840      1.118118      3.343338
  H       0.049858     -0.561145      3.581420
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  H      -1.870548     -2.199318      1.127916
  H      -4.356860     -0.185438      1.320675
  H      -5.535220     -1.509364      1.487003
  H      -4.226004     -1.614682      0.289067
  H      -5.026464     -1.251251      3.900708
  H      -3.377153     -1.539877      4.554870
  H      -3.732282     -0.107919      3.564123
  H      -6.912242     -7.526738      6.104289
  H      -7.364407     -6.730211      7.717301
  H      -9.970364     -4.886201      6.599142
  H      -8.665008     -3.710732      6.387351
  H      -8.674362     -4.778046      7.821297
  H      -8.201272     -6.829050      4.144483
  H      -9.237290     -5.403558      4.215438
  H      -7.834185     -6.007641      1.798900
  H      -6.978211     -4.461769      1.548302
  H      -8.669391     -4.476847      2.105487
  H      -8.277991     -3.127794      4.007545
  H      -6.908153     -3.377219      5.121742
  H      -6.601698     -2.890520      3.438305
  H      -4.308669     -4.929849      8.985049
  H      -2.563122     -4.289809      9.031978
  H      -4.276942     -6.229111      5.818214
  H      -3.643524     -7.598733      6.724440
  H      -4.959035     -6.593940      7.408213
  H      -0.876340     -5.392173      7.652701
  H      -1.369301     -6.736373      6.606534
  H       0.448933     -5.917475      5.086250
  H       0.714861     -4.468580      6.064106
  H       0.309459     -4.301309      4.343722
  H      -2.550039     -3.111763      6.471396
  H      -0.828190     -3.043269      6.756737
  H      -1.461581     -2.676816      5.155414
  N      -4.579158     -3.528518      5.517135
  H      -4.963378     -2.561435      5.478447
  H      -4.388962     -3.771479      6.478960
86
Coordinates from ORCA-job orca E -5421.849787023634
  N      -3.863931     -3.372007      2.491749
  C      -3.801522     -4.046831      1.180707
  C      -3.025111     -5.346412      1.276713
  N      -3.610492     -6.146688      2.373523
  C      -4.844937     -6.852802      1.966423
  C      -5.752289     -6.892188      3.176020
  N      -5.835642     -5.535520      3.717755
  Mo     -4.086074     -4.616824      4.000812
  N      -2.270139     -5.272583      4.534212
  C      -1.650432     -6.369456      3.794973
  C      -2.669316     -7.111221      2.973906
  H      -1.179050     -7.097739      4.477270
  H      -0.838430     -5.990062      3.147819
  H      -3.256045     -7.780729      3.621798
  H      -2.180177     -7.732017      2.203721
  H      -6.734257     -7.277086      2.865381
  H      -5.381660     -7.601690      3.939059
  H      -5.337236     -6.282562      1.166733
  H      -4.610398     -7.856742      1.574340
  H      -3.319504     -3.416882      0.422144
  H      -4.823588     -4.243990      0.810040
  H      -1.983465     -5.114417      1.540402
  H      -3.028892     -5.905484      0.325752
  C      -1.626049      0.465503      1.021016
  C      -1.545465     -0.321042      2.109630
  C      -0.864824      0.131090      3.375613
  C      -2.079076     -1.733615      2.103534
  C      -3.601933     -1.904912      2.397013
  C      -4.480086     -1.290097      1.290954
  C      -3.956017     -1.175857      3.690620
  C      -7.409321     -6.705504      6.627211
  C      -8.107957     -5.765480      5.990453
  C      -8.872230     -4.713369      6.749517
  C      -8.239834     -5.772566      4.491521
  C      -7.212975     -4.947018      3.654130
  C      -7.698361     -4.974615      2.186111
  C      -7.246223     -3.485110      4.084925
  C      -3.305463     -4.959196      8.562207
  C      -2.998382     -5.710655      7.494564
  C      -4.023877     -6.586953      6.845307
  C      -1.611267     -5.723767      6.904043
  C      -1.379711     -4.806681      5.659714
  C       0.112750     -4.902947      5.272837
  C      -1.601216     -3.340844      6.042812
  H      -1.235943      1.481951      1.026442
  H      -2.080045      0.118740      0.086715
  H      -1.511522      0.020169      4.262505
  H      -0.547203      1.176414      3.305004
  H       0.025796     -0.491768      3.566448
  H      -1.551213     -2.332088      2.864945
  H      -1.863931     -2.185746      1.121855
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  H      -5.532228     -1.532680      1.481431
  H      -4.224020     -1.636988      0.281384
  H      -5.026966     -1.273036      3.897646
  H      -3.372765     -1.535174      4.551474
  H      -3.751747     -0.107166      3.558521
  H      -6.900735     -7.509249      6.093141
  H      -7.344510     -6.712139      7.710683
  H      -9.957669     -4.865602      6.604067
  H      -8.650067     -3.689996      6.397629
  H      -8.661294     -4.766214      7.829859
  H      -8.199269     -6.809427      4.144023
  H      -9.232060     -5.380094      4.219026
  H      -7.834717     -5.992020      1.801052
  H      -6.976714     -4.449188      1.546686
  H      -8.666427     -4.460151      2.106884
  H      -8.278690     -3.113680      4.000931
  H      -6.910321     -3.360020      5.118462
  H      -6.599687     -2.873273      3.433695
  H      -4.304439     -4.972236      9.002948
  H      -2.559552     -4.335255      9.051466
  H      -4.271548     -6.241445      5.826623
  H      -3.646618     -7.615010      6.728345
  H      -4.961259     -6.609408      7.412470
  H      -0.875257     -5.417564      7.661765
  H      -1.366649     -6.758869      6.611536
  H       0.456544     -5.930649      5.105950
  H       0.712195     -4.484511      6.090144
  H       0.317163     -4.312553      4.367635
  H      -2.567115     -3.141704      6.469380
  H      -0.854696     -3.065861      6.776204
  H      -1.468599     -2.696683      5.176224
  N      -4.554519     -3.528255      5.520968
  H      -4.991776     -2.614840      5.514261
  H      -4.387889     -3.812080      6.502669
86
Coordinates from ORCA-job orca E -5421.850656804559
  N      -3.855694     -3.373149      2.488833
  C      -3.773453     -4.051942      1.181231
  C      -3.007654     -5.353818      1.295217
  N      -3.613859     -6.143985      2.389096
  C      -4.850786     -6.838801      1.967629
  C      -5.768184     -6.875038      3.171081
  N      -5.847920     -5.520780      3.722390
  Mo     -4.090058     -4.606888      4.005918
  N      -2.279981     -5.269995      4.549496
  C      -1.664371     -6.376996      3.819845
  C      -2.684722     -7.115496      2.998378
  H      -1.200533     -7.103521      4.508690
  H      -0.846541     -6.007662      3.173417
  H      -3.281172     -7.775616      3.646542
  H      -2.198093     -7.742842      2.231849
  H      -6.748843     -7.254676      2.854766
  H      -5.405739     -7.588691      3.932601
  H      -5.330414     -6.260382      1.166042
  H      -4.619940     -7.842862      1.573165
  H      -3.267641     -3.426983      0.433031
  H      -4.789834     -4.241105      0.790261
  H      -1.967287     -5.128290      1.571281
  H      -3.004504     -5.918258      0.347155
  C      -1.641784      0.481700      1.012599
  C      -1.533559     -0.323287      2.078288
  C      -0.815812      0.107957      3.329246
  C      -2.075705     -1.734605      2.061149
  C      -3.594965     -1.904126      2.387280
  C      -4.492501     -1.289142      1.299078
  C      -3.921494     -1.170944      3.688034
  C      -7.400690     -6.780761      6.583166
  C      -8.115159     -5.822785      5.976985
  C      -8.893434     -4.808111      6.779651
  C      -8.254324     -5.780843      4.465260
  C      -7.222175     -4.929196      3.652443
  C      -7.690027     -4.925067      2.174324
  C      -7.261210     -3.471485      4.117574
  C      -3.318027     -4.926135      8.574594
  C      -3.008969     -5.684843      7.512421
  C      -4.037017     -6.567890      6.870480
  C      -1.619336     -5.701607      6.922348
  C      -1.387314     -4.797839      5.668630
  C       0.101700     -4.910807      5.271724
  C      -1.590244     -3.323438      6.037856
  H      -1.245818      1.497488      1.027934
  H      -2.124243      0.153498      0.088565
  H      -1.438744     -0.016432      4.227489
  H      -0.495377      1.154490      3.270682
  H       0.076600     -0.517373      3.483778
  H      -1.532438     -2.345358      2.798790
  H      -1.888222     -2.174776      1.069446
  H      -4.367331     -0.197323      1.304127
  H      -5.546479     -1.523593      1.513925
  H      -4.258858     -1.644588      0.284670
  H      -4.990261     -1.269048      3.921352
  H      -3.323713     -1.530722      4.534356
  H      -3.713891     -0.100837      3.550753
  H      -6.886162     -7.560342      6.009299
  H      -7.329659     -6.832878      7.679037
  H      -9.962728     -4.991770      6.667045
  H      -8.721381     -3.785891      6.432833
  H      -8.659975     -4.858803      7.851107
  H      -8.219070     -6.815951      4.079854
  H      -9.245222     -5.371662      4.203761
  H      -7.817609     -5.937067      1.760974
  H      -6.963459     -4.377547      1.553196
  H      -8.659477     -4.413252      2.098882
  H      -8.276095     -3.088728      4.009073
  H      -6.966318     -3.368862      5.159228
  H      -6.595295     -2.851062      3.507879
  H      -4.316688     -4.942580      9.017757
  H      -2.572944     -4.294900      9.059080
  H      -4.282489     -6.229533      5.845286
  H      -3.660379     -7.598124      6.763515
  H      -4.974350     -6.586332      7.439838
  H      -0.884524     -5.385075      7.677163
  H      -1.371738     -6.738635      6.640776
  H       0.435566     -5.943806      5.116088
  H       0.710556     -4.485792      6.079604
  H       0.304767     -4.335095      4.357070
  H      -2.552433     -3.116574      6.515946
  H      -0.794182     -3.028099      6.740909
  H      -1.495422     -2.695295      5.141011
  N      -4.552819     -3.501492      5.512074
  H      -4.990674     -2.580743      5.497528
  H      -4.385324     -3.788409      6.493649
86
Coordinates from ORCA-job orca E -5421.850656348583
  N      -3.863935     -3.386175      2.471313
  C      -3.762024     -4.064242      1.164024
  C      -2.995436     -5.365385      1.289256
  N      -3.610572     -6.154011      2.379857
  C      -4.842864     -6.850559      1.948831
  C      -5.766463     -6.896315      3.147425
  N      -5.850074     -5.546709      3.709429
  Mo     -4.097387     -4.616673      3.987501
  N      -2.293461     -5.272458      4.544031
  C      -1.672015     -6.381484      3.819686
  C      -2.686136     -7.124594      2.995395
  H      -1.207858     -7.104807      4.510516
  H      -0.853412     -6.012678      3.175337
  H      -3.284985     -7.782272      3.641407
  H      -2.195607     -7.753512      2.232037
  H      -6.742949     -7.274127      2.822131
  H      -5.408468     -7.615031      3.904668
  H      -5.319584     -6.269188      1.148995
  H      -4.606112     -7.852194      1.549585
  H      -3.243663     -3.439373      0.424808
  H      -4.772361     -4.253364      0.756509
  H      -1.958594     -5.137098      1.574535
  H      -2.981672     -5.933546      0.343331
  C      -1.636537      0.514727      1.091058
  C      -1.538344     -0.325439      2.125415
  C      -0.819820      0.059403      3.388506
  C      -2.087265     -1.733100      2.058080
  C      -3.611078     -1.912065      2.379506
  C      -4.514547     -1.282743      1.306704
  C      -3.935335     -1.196184      3.688912
  C      -7.418847     -6.806455      6.590230
  C      -8.089873     -5.810814      5.978966
  C      -8.791403     -4.724424      6.756929
  C      -8.251737     -5.788154      4.482072
  C      -7.225442     -4.956805      3.651724
  C      -7.714488     -4.954997      2.181517
  C      -7.253419     -3.500486      4.110854
  C      -3.336050     -4.875304      8.556727
  C      -3.019256     -5.656230      7.509491
  C      -4.040495     -6.565578      6.881829
  C      -1.627887     -5.667087      6.922645
  C      -1.397703     -4.781345      5.654385
  C       0.090591     -4.897167      5.252556
  C      -1.595117     -3.299852      6.003076
  H      -1.231975      1.527488      1.142964
  H      -2.114884      0.221113      0.156979
  H      -1.451101     -0.085575      4.274903
  H      -0.485740      1.105156      3.364589
  H       0.067824     -0.578991      3.529365
  H      -1.542955     -2.368978      2.772011
  H      -1.901403     -2.139428      1.055627
  H      -4.390311     -0.193633      1.328781
  H      -5.569624     -1.520257      1.519884
  H      -4.283222     -1.622520      0.289411
  H      -5.006167     -1.300065      3.925470
  H      -3.336869     -1.567556      4.522794
  H      -3.727419     -0.126242      3.567993
  H      -6.956261     -7.629740      6.034134
  H      -7.330078     -6.838761      7.673825
  H      -9.897580     -4.818525      6.634314
  H      -8.530518     -3.713136      6.405834
  H      -8.552568     -4.788117      7.821868
  H      -8.236308     -6.820414      4.113386
  H      -9.241527     -5.371310      4.230931
  H      -7.855466     -5.966759      1.773895
  H      -6.991500     -4.417006      1.549654
  H      -8.681861     -4.434791      2.116919
  H      -8.284823     -3.122049      4.040886
  H      -6.912634     -3.394705      5.148013
  H      -6.610895     -2.878998      3.466590
  H      -4.335672     -4.890826      8.999208
  H      -2.596364     -4.219328      9.026889
  H      -4.294353     -6.244536      5.849161
  H      -3.652934     -7.593034      6.794341
  H      -4.974102     -6.586418      7.453062
  H      -0.899470     -5.333270      7.675085
  H      -1.370647     -6.705611      6.658290
  H       0.424687     -5.931872      5.111043
  H       0.701825     -4.459550      6.052082
  H       0.290775     -4.335473      4.327893
  H      -2.546812     -3.091107      6.508453
  H      -0.775846     -2.985746      6.680387
  H      -1.529416     -2.685608      5.085485
  N      -4.568989     -3.528129      5.500777
  H      -4.995313     -2.600435      5.495134
  H      -4.395392     -3.819274      6.476273
86
Coordinates from ORCA-job orca E -5421.851212501857
  N      -3.850676     -3.383521      2.457743
  C      -3.751146     -4.065472      1.153098
  C      -2.996415     -5.373164      1.286738
  N      -3.618431     -6.150951      2.380231
  C      -4.855075     -6.836106      1.949375
  C      -5.775884     -6.877682      3.148421
  N      -5.846735     -5.529770      3.715112
  Mo     -4.090751     -4.603633      3.978807
  N      -2.294927     -5.274888      4.540134
  C      -1.684664     -6.393438      3.821711
  C      -2.705835     -7.129038      2.999853
  H      -1.227153     -7.117835      4.515857
  H      -0.863674     -6.036134      3.175974
  H      -3.312236     -7.776832      3.647809
  H      -2.222455     -7.766257      2.239326
  H      -6.756767     -7.244571      2.822731
  H      -5.423870     -7.602374      3.902389
  H      -5.327719     -6.247703      1.153278
  H      -4.626258     -7.837924      1.547154
  H      -3.224663     -3.447529      0.414373
  H      -4.761538     -4.245483      0.743044
  H      -1.959026     -5.153388      1.571271
  H      -2.987319     -5.946702      0.345239
  C      -1.579444      0.503355      1.061076
  C      -1.516267     -0.323311      2.116651
  C      -0.828562      0.077180      3.392101
  C      -2.067047     -1.733596      2.059207
  C      -3.597931     -1.909133      2.361960
  C      -4.486043     -1.285182      1.273671
  C      -3.941522     -1.189273      3.664656
  C      -7.440633     -6.848906      6.581671
  C      -8.120006     -5.866136      5.985252
  C      -8.879574     -4.856426      6.797847
  C      -8.250686     -5.798787      4.478638
  C      -7.220696     -4.933588      3.672837
  C      -7.703675     -4.892289      2.197760
  C      -7.246211     -3.483735      4.170132
  C      -3.326040     -4.825646      8.548267
  C      -3.014741     -5.626903      7.511874
  C      -4.038442     -6.547951      6.901456
  C      -1.625604     -5.646970      6.921371
  C      -1.391768     -4.777300      5.642812
  C       0.096519     -4.905195      5.243444
  C      -1.583641     -3.291210      5.973715
  H      -1.170064      1.517259      1.103771
  H      -2.030054      0.195899      0.117300
  H      -1.490247     -0.040559      4.267913
  H      -0.479095      1.122044      3.352150
  H       0.049950     -0.575574      3.570770
  H      -1.534133     -2.364722      2.788444
  H      -1.863659     -2.151018      1.063295
  H      -4.360682     -0.195702      1.286918
  H      -5.543157     -1.517727      1.475586
  H      -4.241315     -1.635667      0.264112
  H      -5.014950     -1.294571      3.889023
  H      -3.353370     -1.559486      4.506804
  H      -3.735786     -0.119641      3.544253
  H      -6.934031     -7.620072      6.007288
  H      -7.386764     -6.921330      7.673578
  H      -9.962746     -4.994463      6.634540
  H      -8.640755     -3.814483      6.498473
  H      -8.682850     -4.967975      7.882023
  H      -8.219157     -6.824761      4.082177
  H      -9.240195     -5.389138      4.225569
  H      -7.846296     -5.895472      1.762661
  H      -6.975837     -4.339073      1.581100
  H      -8.669301     -4.366227      2.143754
  H      -8.276388     -3.096647      4.115333
  H      -6.900799     -3.402418      5.210681
  H      -6.607285     -2.849304      3.533838
  H      -4.323910     -4.829739      8.994086
  H      -2.583327     -4.160818      9.003766
  H      -4.296907     -6.240877      5.866342
  H      -3.650817     -7.576915      6.828384
  H      -4.968920     -6.561574      7.477431
  H      -0.896108     -5.305669      7.669071
  H      -1.370788     -6.689519      6.669732
  H       0.424287     -5.942653      5.111727
  H       0.709961     -4.464798      6.038757
  H       0.301040     -4.353332      4.314199
  H      -2.531933     -3.071167      6.446871
  H      -0.790451     -2.981033      6.658430
  H      -1.494573     -2.683877      5.063366
  N      -4.549472     -3.521695      5.500508
  H      -4.974700     -2.594134      5.509956
  H      -4.372762     -3.819881      6.466329
86
Coordinates from ORCA-job orca E -5421.850861305369
  N      -3.817529     -3.395891      2.463957
  C      -3.721703     -4.077817      1.158062
  C      -2.984823     -5.395671      1.293655
  N      -3.619087     -6.167080      2.387113
  C      -4.865016     -6.835860      1.955118
  C      -5.784587     -6.869820      3.155816
  N      -5.839245     -5.519470      3.720187
  Mo     -4.072892     -4.612250      3.985885
  N      -2.287198     -5.314101      4.550898
  C      -1.690558     -6.440773      3.833567
  C      -2.721156     -7.159720      3.008217
  H      -1.245126     -7.171020      4.530041
  H      -0.862922     -6.094240      3.189946
  H      -3.339096     -7.799400      3.654658
  H      -2.246731     -7.802652      2.247467
  H      -6.771871     -7.223288      2.830872
  H      -5.440170     -7.599361      3.909472
  H      -5.331124     -6.236727      1.162728
  H      -4.648126     -7.838063      1.548875
  H      -3.186095     -3.464187      0.422123
  H      -4.732871     -4.244877      0.745464
  H      -1.944885     -5.190620      1.578331
  H      -2.983750     -5.969359      0.352755
  C      -1.689857      0.549954      1.064935
  C      -1.593455     -0.263531      2.129301
  C      -0.939629      0.176878      3.411806
  C      -2.081911     -1.691713      2.078255
  C      -3.603434     -1.917969      2.364112
  C      -4.494515     -1.335031      1.252826
  C      -3.988945     -1.201636      3.656244
  C      -7.407502     -6.800144      6.544174
  C      -8.084201     -5.793662      5.967331
  C      -8.805983     -4.758286      6.797934
  C      -8.247237     -5.727860      4.464908
  C      -7.201433     -4.908763      3.649427
  C      -7.670229     -4.902773      2.176224
  C      -7.202018     -3.456539      4.097904
  C      -3.309139     -4.868226      8.566660
  C      -3.005826     -5.666516      7.527721
  C      -4.036730     -6.579201      6.924742
  C      -1.618570     -5.695288      6.931326
  C      -1.378924     -4.825990      5.653975
  C       0.108407     -4.970633      5.256883
  C      -1.559952     -3.339156      5.985903
  H      -1.332147      1.578544      1.103642
  H      -2.122447      0.215418      0.118284
  H      -1.593570      0.027855      4.283179
  H      -0.650799      1.231132      3.371341
  H      -0.034032     -0.421861      3.601225
  H      -1.533668     -2.296656      2.819975
  H      -1.852872     -2.107056      1.086262
  H      -4.398968     -0.242546      1.246775
  H      -5.543404     -1.591164      1.446340
  H      -4.229493     -1.696503      0.251957
  H      -5.055823     -1.345859      3.867273
  H      -3.392537     -1.541803      4.514512
  H      -3.826496     -0.125476      3.527545
  H      -6.931314     -7.590727      5.954496
  H      -7.326172     -6.875541      7.633304
  H      -9.891851     -4.877103      6.685420
  H      -8.579672     -3.735894      6.481429
  H      -8.567172     -4.851904      7.863285
  H      -8.254361     -6.754655      4.072722
  H      -9.230018     -5.287520      4.220965
  H      -7.828414     -5.909102      1.773435
  H      -6.927643     -4.385878      1.555127
  H      -8.624024     -4.364370      2.094753
  H      -8.199442     -3.066591      3.982529
  H      -6.903050     -3.339613      5.127670
  H      -6.531682     -2.859614      3.492501
  H      -4.305338     -4.868950      9.016076
  H      -2.561984     -4.214267      9.022240
  H      -4.293844     -6.274035      5.894277
  H      -3.655642     -7.610924      6.852167
  H      -4.967316     -6.585023      7.504030
  H      -0.884751     -5.358351      7.678345
  H      -1.368894     -6.739844      6.678741
  H       0.424713     -6.012126      5.122473
  H       0.726420     -4.540083      6.054562
  H       0.319996     -4.417605      4.329865
  H      -2.508558     -3.106421      6.441609
  H      -0.778579     -3.041901      6.677819
  H      -1.452625     -2.731201      5.086669
  N      -4.509830     -3.531089      5.519604
  H      -4.944198     -2.611913      5.547990
  H      -4.334433     -3.843357      6.476168
86
Coordinates from ORCA-job orca E -5421.851720834175
  N      -3.800108     -3.390719      2.464558
  C      -3.686343     -4.069566      1.158482
  C      -2.956345     -5.389215      1.303077
  N      -3.608989     -6.157704      2.389270
  C      -4.855815     -6.817273      1.938978
  C      -5.785902     -6.858368      3.132241
  N      -5.842771     -5.513207      3.710573
  Mo     -4.072136     -4.605865      3.987316
  N      -2.292199     -5.312829      4.568200
  C      -1.693828     -6.443009      3.856115
  C      -2.720973     -7.156447      3.018529
  H      -1.258755     -7.174700      4.558595
  H      -0.856145     -6.100374      3.220344
  H      -3.349406     -7.794221      3.658863
  H      -2.242214     -7.799826      2.260247
  H      -6.771455     -7.209269      2.799157
  H      -5.445902     -7.594235      3.882491
  H      -5.311220     -6.207224      1.147638
  H      -4.640053     -7.816778      1.525141
  H      -3.133137     -3.455911      0.434806
  H      -4.691330     -4.230055      0.727855
  H      -1.917833     -5.188378      1.601430
  H      -2.946494     -5.963621      0.361176
  C      -1.717612      0.552718      1.016952
  C      -1.588552     -0.255376      2.079563
  C      -0.905245      0.196872      3.343250
  C      -2.073913     -1.686381      2.044992
  C      -3.589780     -1.912564      2.359053
  C      -4.495246     -1.337886      1.255839
  C      -3.955258     -1.189903      3.654757
  C      -7.404465     -6.831828      6.539131
  C      -8.086748     -5.826708      5.969259
  C      -8.808319     -4.791787      6.803466
  C      -8.246755     -5.749626      4.464334
  C      -7.210048     -4.903851      3.654571
  C      -7.688833     -4.865982      2.182024
  C      -7.229274     -3.456461      4.145185
  C      -3.335321     -4.892594      8.579832
  C      -3.023391     -5.678639      7.538453
  C      -4.047688     -6.587149      6.927569
  C      -1.633405     -5.702295      6.950236
  C      -1.389124     -4.830368      5.675884
  C       0.097239     -4.982288      5.281274
  C      -1.562222     -3.343036      6.011668
  H      -1.365302      1.583849      1.044080
  H      -2.175476      0.211099      0.083797
  H      -1.532640      0.044163      4.231768
  H      -0.627933      1.253221      3.294868
  H       0.007784     -0.389882      3.507745
  H      -1.511745     -2.286164      2.779173
  H      -1.863552     -2.107902      1.049450
  H      -4.392622     -0.243914      1.236327
  H      -5.544272     -1.586887      1.470435
  H      -4.247446     -1.713929      0.252731
  H      -5.017587     -1.337812      3.886479
  H      -3.343574     -1.523655      4.505112
  H      -3.796860     -0.112489      3.516772
  H      -6.928548     -7.620933      5.942481
  H      -7.317127     -6.908497      7.626861
  H      -9.891740     -4.910571      6.699779
  H      -8.588109     -3.773602      6.483517
  H      -8.564808     -4.880360      7.864145
  H      -8.241748     -6.774759      4.058899
  H      -9.233972     -5.314584      4.226066
  H      -7.837128     -5.867046      1.754020
  H      -6.956717     -4.323000      1.565199
  H      -8.650052     -4.334996      2.122731
  H      -8.264127     -3.067988      4.086713
  H      -6.887846     -3.374809      5.186291
  H      -6.585907     -2.821392      3.504915
  H      -4.332521     -4.902963      9.023981
  H      -2.595032     -4.244302      9.045177
  H      -4.299548     -6.278710      5.898920
  H      -3.663520     -7.616745      6.853669
  H      -4.980542     -6.596967      7.501970
  H      -0.905105     -5.364442      7.701747
  H      -1.378575     -6.745377      6.697556
  H       0.408258     -6.025996      5.147006
  H       0.716198     -4.554889      6.080339
  H       0.312609     -4.429749      4.354935
  H      -2.510067     -3.107685      6.500373
  H      -0.749999     -3.041934      6.687037
  H      -1.479017     -2.737321      5.101178
  N      -4.515885     -3.515751      5.508480
  H      -4.952750     -2.593938      5.529412
  H      -4.345710     -3.836375      6.471870
86
Coordinates from ORCA-job orca E -5421.851296844615
  N      -3.802980     -3.390892      2.467002
  C      -3.678075     -4.067084      1.161814
  C      -2.951738     -5.387991      1.311813
  N      -3.609831     -6.152544      2.395452
  C      -4.854210     -6.809541      1.939979
  C      -5.784519     -6.858412      3.132313
  N      -5.844774     -5.518900      3.721604
  Mo     -4.076893     -4.602435      3.989285
  N      -2.301383     -5.307799      4.572885
  C      -1.702128     -6.437683      3.861042
  C      -2.726318     -7.152258      3.023468
  H      -1.266395     -7.168394      4.562211
  H      -0.865720     -6.093931      3.225981
  H      -3.354654     -7.790030      3.660733
  H      -2.247024     -7.794437      2.264778
  H      -6.767672     -7.208714      2.796602
  H      -5.444119     -7.597620      3.877194
  H      -5.308151     -6.193894      1.153528
  H      -4.636669     -7.806594      1.519556
  H      -3.113440     -3.453541      0.446518
  H      -4.678548     -4.222440      0.719357
  H      -1.914773     -5.188422      1.614879
  H      -2.938252     -5.965312      0.371788
  C      -1.701427      0.551991      0.994761
  C      -1.574426     -0.259866      2.052611
  C      -0.867129      0.184923      3.304255
  C      -2.077073     -1.689857      2.019863
  C      -3.592102     -1.910415      2.365019
  C      -4.520152     -1.323188      1.291833
  C      -3.919870     -1.194575      3.673794
  C      -7.458506     -6.867218      6.530237
  C      -8.120039     -5.865705      5.951358
  C      -8.843325     -4.841347      6.769394
  C      -8.252909     -5.777166      4.451369
  C      -7.210263     -4.910687      3.667969
  C      -7.677310     -4.845270      2.189533
  C      -7.233913     -3.469551      4.189280
  C      -3.329381     -4.859888      8.579619
  C      -3.018705     -5.659767      7.546209
  C      -4.046107     -6.580915      6.948627
  C      -1.629478     -5.683212      6.953057
  C      -1.391671     -4.819322      5.672466
  C       0.092426     -4.972238      5.267735
  C      -1.557669     -3.330016      6.002291
  H      -1.332245      1.581736      1.019695
  H      -2.170463      0.216244      0.067548
  H      -1.498001      0.057155      4.200488
  H      -0.556321      1.240904      3.244744
  H       0.034167     -0.430848      3.463726
  H      -1.504654     -2.296702      2.737357
  H      -1.889647     -2.109065      1.019036
  H      -4.407738     -0.231223      1.280938
  H      -5.570065     -1.566457      1.529398
  H      -4.298581     -1.693613      0.280783
  H      -4.980704     -1.337212      3.932092
  H      -3.296458     -1.540362      4.499883
  H      -3.749784     -0.118607      3.542260
  H      -6.973921     -7.642732      5.947392
  H      -7.391476     -6.947136      7.612424
  H      -9.940786     -4.926046      6.584491
  H      -8.546100     -3.797220      6.498063
  H      -8.659330     -4.991309      7.853970
  H      -8.238837     -6.795014      4.040533
  H      -9.235521     -5.353747      4.203918
  H      -7.819589     -5.840013      1.736553
  H      -6.942073     -4.284451      1.589040
  H      -8.639959     -4.316995      2.135153
  H      -8.247903     -3.073966      4.109716
  H      -6.927249     -3.406175      5.231759
  H      -6.574947     -2.828453      3.591345
  H      -4.326616     -4.868433      9.027063
  H      -2.588632     -4.196545      9.032518
  H      -4.306563     -6.280960      5.916943
  H      -3.659639     -7.609642      6.883357
  H      -4.974802     -6.589196      7.529308
  H      -0.899434     -5.338645      7.700823
  H      -1.372935     -6.726761      6.706278
  H       0.403131     -6.015969      5.138340
  H       0.716366     -4.539116      6.060154
  H       0.301416     -4.426413      4.335979
  H      -2.495939     -3.094353      6.525397
  H      -0.715739     -3.018736      6.653464
  H      -1.507474     -2.731375      5.074714
  N      -4.523407     -3.514444      5.509537
  H      -4.957766     -2.592403      5.534921
  H      -4.340061     -3.833457      6.474207
86
Coordinates from ORCA-job orca E -5421.852478178246
  N      -3.793907     -3.401301      2.450068
  C      -3.666558     -4.081707      1.146477
  C      -2.949447     -5.407239      1.303261
  N      -3.615371     -6.164712      2.387125
  C      -4.863513     -6.813727      1.930912
  C      -5.793113     -6.859529      3.123162
  N      -5.844425     -5.519868      3.712861
  Mo     -4.075618     -4.606310      3.975324
  N      -2.307348     -5.322860      4.564165
  C      -1.714329     -6.460769      3.859716
  C      -2.741477     -7.169761      3.021579
  H      -1.285532     -7.191276      4.565673
  H      -0.874709     -6.126486      3.225304
  H      -3.376467     -7.800226      3.659130
  H      -2.265027     -7.818530      2.266623
  H      -6.778982     -7.202218      2.787192
  H      -5.457205     -7.601954      3.866979
  H      -5.314154     -6.193012      1.146731
  H      -4.651422     -7.810786      1.508276
  H      -3.095706     -3.473840      0.432415
  H      -4.665824     -4.231763      0.699280
  H      -1.912276     -5.214048      1.608301
  H      -2.937200     -5.987555      0.365521
  C      -1.676857      0.567812      1.042748
  C      -1.582169     -0.251431      2.102097
  C      -0.925093      0.186332      3.382057
  C      -2.069836     -1.683403      2.044920
  C      -3.592033     -1.918067      2.348240
  C      -4.499863     -1.335541      1.253748
  C      -3.959478     -1.205757      3.647044
  C      -7.432438     -6.885380      6.519039
  C      -8.090371     -5.855637      5.964966
  C      -8.791160     -4.826905      6.814957
  C      -8.251298     -5.751558      4.464735
  C      -7.208260     -4.903639      3.665512
  C      -7.686908     -4.845571      2.193313
  C      -7.213351     -3.462473      4.171038
  C      -3.334856     -4.813322      8.558788
  C      -3.022549     -5.636980      7.540864
  C      -4.045438     -6.577150      6.959342
  C      -1.633657     -5.666005      6.949264
  C      -1.393008     -4.821157      5.656136
  C       0.092034     -4.979480      5.256981
  C      -1.561507     -3.327127      5.961937
  H      -1.317613      1.598965      1.085745
  H      -2.105853      0.236531      0.096258
  H      -1.590259      0.052579      4.253057
  H      -0.617369      1.243030      3.335636
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  H      -1.510474     -2.292594      2.773050
  H      -1.849469     -2.089972      1.048291
  H      -4.399268     -0.244179      1.244485
  H      -5.550185     -1.585959      1.465110
  H      -4.251210     -1.702102      0.251392
  H      -5.025211     -1.354249      3.878515
  H      -3.352458     -1.548826      4.488858
  H      -3.798122     -0.129340      3.520004
  H      -6.970492     -7.669196      5.913343
  H      -7.352006     -6.987973      7.605391
  H      -9.883999     -4.909303      6.681579
  H      -8.522995     -3.796465      6.532679
  H      -8.568223     -4.963598      7.882272
  H      -8.259976     -6.768046      4.045804
  H      -9.234164     -5.306732      4.235850
  H      -7.841802     -5.840982      1.752136
  H      -6.951141     -4.299621      1.583082
  H      -8.645364     -4.307895      2.140686
  H      -8.233963     -3.064360      4.107814
  H      -6.877538     -3.390220      5.209957
  H      -6.563169     -2.832521      3.548250
  H      -4.332154     -4.813055      9.006177
  H      -2.595198     -4.134801      8.996666
  H      -4.311227     -6.292815      5.921857
  H      -3.652923     -7.605558      6.910106
  H      -4.971893     -6.581966      7.543006
  H      -0.906506     -5.308695      7.692749
  H      -1.374496     -6.712885      6.719820
  H       0.402568     -6.024416      5.142831
  H       0.713661     -4.536795      6.044635
  H       0.304672     -4.445884      4.318929
  H      -2.499384     -3.085557      6.451582
  H      -0.746978     -3.012132      6.622418
  H      -1.489037     -2.737708      5.036731
  N      -4.513165     -3.523697      5.502306
  H      -4.942685     -2.599169      5.537901
  H      -4.334555     -3.850117      6.458706
86
Coordinates from ORCA-job orca E -5421.852661749236
  N      -3.756292     -3.403263      2.455288
  C      -3.623606     -4.084006      1.152153
  C      -2.924266     -5.418012      1.315359
  N      -3.608695     -6.167156      2.394693
  C      -4.863445     -6.798113      1.928325
  C      -5.797747     -6.840750      3.117059
  N      -5.837820     -5.502782      3.712824
  Mo     -4.060811     -4.604070      3.981583
  N      -2.304801     -5.346053      4.583317
  C      -1.722030     -6.492533      3.884200
  C      -2.752792     -7.185676      3.035731
  H      -1.309866     -7.228264      4.595748
  H      -0.871493     -6.169987      3.256888
  H      -3.402273     -7.809086      3.667466
  H      -2.279002     -7.839356      2.283344
  H      -6.787468     -7.171534      2.776797
  H      -5.470954     -7.590505      3.858836
  H      -5.303326     -6.164907      1.147205
  H      -4.661520     -7.794214      1.499526
  H      -3.038410     -3.481217      0.445059
  H      -4.619868     -4.221423      0.694584
  H      -1.886729     -5.238162      1.628078
  H      -2.912848     -5.998922      0.377908
  C      -1.784553      0.603868      1.019504
  C      -1.624586     -0.208781      2.070152
  C      -0.941648      0.252574      3.329673
  C      -2.071770     -1.651318      2.023284
  C      -3.581746     -1.918887      2.343598
  C      -4.506377     -1.370714      1.244191
  C      -3.955960     -1.202308      3.638694
  C      -7.427086     -6.882153      6.492518
  C      -8.087376     -5.850773      5.950513
  C      -8.788500     -4.833455      6.813725
  C      -8.246523     -5.729268      4.449937
  C      -7.197515     -4.878288      3.661707
  C      -7.668081     -4.808884      2.187844
  C      -7.201202     -3.441215      4.177729
  C      -3.343937     -4.834401      8.574566
  C      -3.030681     -5.656539      7.558699
  C      -4.053022     -6.592637      6.979026
  C      -1.640257     -5.694027      6.971218
  C      -1.387873     -4.853847      5.676918
  C       0.095675     -5.037210      5.281729
  C      -1.536964     -3.355670      5.979142
  H      -1.459642      1.643680      1.054963
  H      -2.239582      0.257626      0.088307
  H      -1.556216      0.078231      4.218386
  H      -0.692194      1.314738      3.289160
  H      -0.013566     -0.308206      3.482641
  H      -1.487927     -2.242625      2.746155
  H      -1.856153     -2.054719      1.023661
  H      -4.420155     -0.276765      1.211712
  H      -5.550191     -1.631786      1.470530
  H      -4.261667     -1.755417      0.244666
  H      -5.012684     -1.376262      3.879566
  H      -3.330953     -1.519334      4.483675
  H      -3.825043     -0.122397      3.497308
  H      -6.963381     -7.657047      5.877315
  H      -7.344169     -6.994090      7.576777
  H      -9.877593     -4.915481      6.682255
  H      -8.523368     -3.802033      6.542878
  H      -8.565793     -4.981573      7.879249
  H      -8.260061     -6.741966      4.018373
  H      -9.227031     -5.277521      4.224294
  H      -7.823026     -5.800151      1.739399
  H      -6.928312     -4.260653      1.585289
  H      -8.624554     -4.269579      2.133550
  H      -8.220561     -3.040140      4.112089
  H      -6.871729     -3.377625      5.217851
  H      -6.546723     -2.806976      3.562437
  H      -4.342045     -4.832200      9.018513
  H      -2.605206     -4.164035      9.016433
  H      -4.315058     -6.310969      5.944516
  H      -3.662032     -7.621658      6.932920
  H      -4.981272     -6.593465      7.561362
  H      -0.913369     -5.338792      7.716436
  H      -1.385304     -6.743498      6.745812
  H       0.389245     -6.088322      5.168045
  H       0.723336     -4.604773      6.071281
  H       0.318879     -4.506446      4.344535
  H      -2.473352     -3.096916      6.468287
  H      -0.717972     -3.048912      6.637408
  H      -1.456403     -2.771854      5.055134
  N      -4.491007     -3.518260      5.509937
  H      -4.919828     -2.593935      5.552283
  H      -4.313871     -3.853880      6.464651
86
Coordinates from ORCA-job orca E -5421.852951900008
  N      -3.739874     -3.401829      2.459349
  C      -3.594456     -4.078831      1.156047
  C      -2.908641     -5.419146      1.323714
  N      -3.608638     -6.163520      2.396221
  C      -4.865784     -6.781566      1.918658
  C      -5.803295     -6.831139      3.104731
  N      -5.839239     -5.498839      3.713466
  Mo     -4.060220     -4.600674      3.983762
  N      -2.314041     -5.356837      4.594105
  C      -1.736069     -6.507881      3.897906
  C      -2.766343     -7.191096      3.040104
  H      -1.335114     -7.246609      4.612533
  H      -0.878386     -6.191252      3.276882
  H      -3.425464     -7.811522      3.664435
  H      -2.292536     -7.845484      2.288413
  H      -6.793715     -7.154288      2.759810
  H      -5.480968     -7.588383      3.840551
  H      -5.298430     -6.135569      1.144109
  H      -4.668395     -7.774063      1.479094
  H      -2.992479     -3.477675      0.461059
  H      -4.584837     -4.204310      0.682729
  H      -1.872058     -5.249464      1.645425
  H      -2.894779     -5.999563      0.385665
  C      -1.777098      0.599368      0.965010
  C      -1.633659     -0.189945      2.042754
  C      -0.975771      0.305496      3.303653
  C      -2.069029     -1.639758      2.023419
  C      -3.577607     -1.916213      2.346625
  C      -4.505807     -1.378518      1.245695
  C      -3.954655     -1.201047      3.641630
  C      -7.426851     -6.907008      6.470381
  C      -8.082748     -5.864374      5.944957
  C      -8.766862     -4.846784      6.822162
  C      -8.248698     -5.725227      4.447292
  C      -7.197527     -4.870416      3.665772
  C      -7.666678     -4.787750      2.192795
  C      -7.199576     -3.438446      4.195446
  C      -3.350497     -4.840856      8.579934
  C      -3.034743     -5.665086      7.568638
  C      -4.054025     -6.607519      6.996577
  C      -1.644548     -5.701145      6.981077
  C      -1.392712     -4.865734      5.684310
  C       0.088912     -5.057194      5.287542
  C      -1.534084     -3.366401      5.982226
  H      -1.458379      1.644006      0.978884
  H      -2.209907      0.227627      0.031756
  H      -1.615059      0.163631      4.190729
  H      -0.717398      1.370004      3.231191
  H      -0.050757     -0.262858      3.493504
  H      -1.482399     -2.214110      2.758851
  H      -1.845259     -2.059528      1.029624
  H      -4.422698     -0.284147      1.204304
  H      -5.548656     -1.640051      1.476727
  H      -4.261848     -1.771279      0.248793
  H      -5.009403     -1.381852      3.886097
  H      -3.325960     -1.513123      4.485216
  H      -3.831698     -0.120539      3.498510
  H      -6.975201     -7.680751      5.843653
  H      -7.334889     -7.029800      7.551026
  H      -9.858124     -4.911240      6.696246
  H      -8.490274     -3.817616      6.562003
  H      -8.539773     -5.008863      7.882646
  H      -8.270146     -6.732428      4.003930
  H      -9.227730     -5.265510      4.231139
  H      -7.820609     -5.774678      1.735254
  H      -6.927130     -4.233852      1.595360
  H      -8.623439     -4.248826      2.142838
  H      -8.216244     -3.033258      4.128575
  H      -6.875634     -3.385966      5.236364
  H      -6.540921     -2.799833      3.589370
  H      -4.348033     -4.842217      9.024117
  H      -2.615025     -4.166941      9.018355
  H      -4.321113     -6.331854      5.963526
  H      -3.657972     -7.633552      6.954481
  H      -4.979743     -6.610373      7.581712
  H      -0.918566     -5.341617      7.725423
  H      -1.386549     -6.750492      6.760314
  H       0.377369     -6.109912      5.176213
  H       0.719467     -4.626160      6.075629
  H       0.313469     -4.529376      4.349164
  H      -2.465867     -3.101541      6.485542
  H      -0.700984     -3.058949      6.628675
  H      -1.466467     -2.787393      5.052023
  N      -4.488952     -3.517653      5.513352
  H      -4.918643     -2.594452      5.561661
  H      -4.308409     -3.858491      6.466931
86
Coordinates from ORCA-job orca E -5421.853345992175
  N      -3.707886     -3.410285      2.446873
  C      -3.541965     -4.090802      1.148089
  C      -2.881890     -5.441481      1.332566
  N      -3.609541     -6.168379      2.396749
  C      -4.870645     -6.764461      1.904001
  C      -5.813836     -6.816969      3.084596
  N      -5.840457     -5.492013      3.709495
  Mo     -4.058826     -4.596071      3.974492
  N      -2.333302     -5.375349      4.604451
  C      -1.765723     -6.540426      3.922503
  C      -2.794437     -7.209325      3.052931
  H      -1.386742     -7.280635      4.647026
  H      -0.896047     -6.241427      3.311235
  H      -3.471095     -7.818444      3.667362
  H      -2.320716     -7.871682      2.308102
  H      -6.805083     -7.126425      2.732925
  H      -5.501639     -7.584272      3.813095
  H      -5.290609     -6.101929      1.137075
  H      -4.682001     -7.753506      1.452555
  H      -2.911770     -3.500079      0.469399
  H      -4.521554     -4.198578      0.648690
  H      -1.847507     -5.289163      1.668805
  H      -2.864160     -6.027114      0.398014
  C      -1.790494      0.634495      0.971208
  C      -1.640731     -0.166559      2.037240
  C      -0.988987      0.320239      3.302499
  C      -2.059816     -1.621061      1.999571
  C      -3.565789     -1.920119      2.328767
  C      -4.507938     -1.392280      1.236926
  C      -3.939111     -1.208685      3.625862
  C      -7.434008     -6.968450      6.430512
  C      -8.074696     -5.900925      5.936876
  C      -8.733678     -4.896648      6.845175
  C      -8.250607     -5.722361      4.445811
  C      -7.197722     -4.857479      3.675694
  C      -7.670138     -4.747747      2.205917
  C      -7.195299     -3.435566      4.230539
  C      -3.366516     -4.780180      8.565673
  C      -3.045738     -5.636193      7.579793
  C      -4.059631     -6.606273      7.035286
  C      -1.654520     -5.679632      6.994164
  C      -1.402087     -4.870973      5.681351
  C       0.077481     -5.075214      5.285272
  C      -1.535497     -3.366238      5.951037
  H      -1.483218      1.682389      0.999378
  H      -2.215153      0.270154      0.034304
  H      -1.635044      0.169963      4.183889
  H      -0.732045      1.388364      3.238380
  H      -0.059569     -0.248169      3.493847
  H      -1.460261     -2.196443      2.722344
  H      -1.835569     -2.022352      1.001055
  H      -4.433283     -0.298995      1.192031
  H      -5.548072     -1.659371      1.477261
  H      -4.269459     -1.786272      0.241259
  H      -4.991489     -1.398520      3.881237
  H      -3.302227     -1.515562      4.460650
  H      -3.826341     -0.127624      3.481990
  H      -7.001139     -7.733310      5.782031
  H      -7.337110     -7.123318      7.507117
  H      -9.828605     -4.926472      6.710307
  H      -8.423739     -3.863091      6.623492
  H      -8.515068     -5.105252      7.902465
  H      -8.285319     -6.716802      3.978912
  H      -9.227383     -5.250794      4.249499
  H      -7.823920     -5.726303      1.729726
  H      -6.932624     -4.182144      1.616344
  H      -8.628144     -4.208906      2.168342
  H      -8.211838     -3.025556      4.175281
  H      -6.864362     -3.403267      5.270857
  H      -6.538101     -2.787866      3.630803
  H      -4.365137     -4.774149      9.009457
  H      -2.634938     -4.082712      8.981294
  H      -4.337907     -6.355733      5.995876
  H      -3.653375     -7.629543      7.017116
  H      -4.980971     -6.604614      7.627978
  H      -0.930870     -5.302234      7.732172
  H      -1.392532     -6.732366      6.796947
  H       0.361054     -6.130157      5.192500
  H       0.709888     -4.634179      6.065530
  H       0.304605     -4.564255      4.338146
  H      -2.457694     -3.092155      6.463811
  H      -0.691065     -3.047693      6.578261
  H      -1.484670     -2.804382      5.005447
  N      -4.482341     -3.510593      5.502117
  H      -4.901228     -2.581363      5.557971
  H      -4.304354     -3.861599      6.452748
86
Coordinates from ORCA-job orca E -5407.212360802738
  N      -3.662679     -3.416503      2.441260
  C      -3.477777     -4.101108      1.147266
  C      -2.848324     -5.463995      1.346971
  N      -3.607758     -6.172317      2.400407
  C      -4.874541     -6.741096      1.890203
  C      -5.826158     -6.792940      3.063447
  N      -5.837693     -5.475531      3.705922
  Mo     -4.050363     -4.589974      3.970576
  N      -2.348877     -5.400897      4.621644
  C      -1.797396     -6.582753      3.955421
  C      -2.825799     -7.230657      3.070074
  H      -1.447902     -7.326466      4.691354
  H      -0.911943     -6.306559      3.357076
  H      -3.524723     -7.825909      3.672196
  H      -2.353520     -7.902477      2.332837
  H      -6.820032     -7.083039      2.702493
  H      -5.529814     -7.573404      3.784542
  H      -5.278554     -6.061513      1.129574
  H      -4.697999     -7.727046      1.427310
  H      -2.819706     -3.522277      0.484827
  H      -4.446094     -4.189538      0.622838
  H      -1.816433     -5.333191      1.699211
  H      -2.827828     -6.052946      0.414607
  C      -1.838544      0.669146      0.954822
  C      -1.667952     -0.127036      2.021146
  C      -1.023363      0.376200      3.283465
  C      -2.052477     -1.590919      1.984499
  C      -3.552272     -1.923776      2.311655
  C      -4.501241     -1.425572      1.211931
  C      -3.944276     -1.211769      3.602363
  C      -7.437096     -7.023388      6.382593
  C      -8.065093     -5.932946      5.923238
  C      -8.699917     -4.944735      6.864038
  C      -8.249008     -5.709643      4.439065
  C      -7.192419     -4.831610      3.686704
  C      -7.663912     -4.685545      2.219184
  C      -7.184310     -3.422541      4.276058
  C      -3.383255     -4.741803      8.558423
  C      -3.057083     -5.621960      7.595237
  C      -4.064598     -6.613444      7.074901
  C      -1.664171     -5.674771      7.013834
  C      -1.406002     -4.891473      5.686822
  C       0.069819     -5.122955      5.290460
  C      -1.519618     -3.379602      5.930292
  H      -1.554940      1.723747      0.981278
  H      -2.256236      0.293844      0.019265
  H      -1.662648      0.213275      4.166359
  H      -0.790806      1.449179      3.216952
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  H      -1.439066     -2.151289      2.707830
  H      -1.817307     -1.984854      0.986064
  H      -4.445627     -0.332231      1.151189
  H      -5.536414     -1.705751      1.454093
  H      -4.254166     -1.829676      0.223174
  H      -4.992414     -1.420981      3.857010
  H      -3.302168     -1.499553      4.441206
  H      -3.856161     -0.129707      3.450419
  H      -7.021192     -7.776223      5.710858
  H      -7.334353     -7.210829      7.453474
  H      -9.795898     -4.945086      6.731413
  H      -8.366645     -3.912384      6.675367
  H      -8.483740     -5.192123      7.912455
  H      -8.296817     -6.689859      3.943836
  H      -9.222469     -5.224352      4.262971
  H      -7.816596     -5.652558      1.717691
  H      -6.926572     -4.104465      1.643506
  H      -8.622433     -4.146569      2.194089
  H      -8.197946     -3.004396      4.230182
  H      -6.851831     -3.417123      5.317172
  H      -6.524965     -2.764757      3.690777
  H      -4.382982     -4.729505      8.999979
  H      -2.655808     -4.029684      8.957188
  H      -4.352108     -6.385626      6.032939
  H      -3.648448     -7.632877      7.076373
  H      -4.982159     -6.608599      7.673641
  H      -0.942658     -5.283311      7.746720
  H      -1.400877     -6.731129      6.838853
  H       0.337576     -6.183407      5.211563
  H       0.709939     -4.681270      6.064346
  H       0.303593     -4.627467      4.336716
  H      -2.432751     -3.086402      6.447526
  H      -0.665798     -3.058021      6.541661
  H      -1.474700     -2.836045      4.974217
  N      -4.468433     -3.504334      5.499188
  H      -4.877237     -2.571812      5.563847
  H      -4.291731     -3.863912      6.446777
86
Coordinates from ORCA-job orca E -5421.851732002138
  N      -3.616374     -3.421014      2.436547
  C      -3.413222     -4.110323      1.147865
  C      -2.815242     -5.484935      1.362282
  N      -3.605865     -6.174401      2.404232
  C      -4.877661     -6.715727      1.876574
  C      -5.837596     -6.766996      3.042660
  N      -5.834718     -5.457505      3.702952
  Mo     -4.041426     -4.582621      3.967536
  N      -2.364670     -5.424896      4.639758
  C      -1.830022     -6.622870      3.988343
  C      -2.857372     -7.249452      3.086650
  H      -1.510593     -7.369810      4.734860
  H      -0.929339     -6.369638      3.403572
  H      -3.578072     -7.830588      3.675811
  H      -2.386771     -7.930433      2.356759
  H      -6.833676     -7.038178      2.673061
  H      -5.556564     -7.560082      3.755953
  H      -5.265674     -6.019438      1.122696
  H      -4.712805     -7.698142      1.402053
  H      -2.727984     -3.543859      0.502469
  H      -4.369551     -4.179196      0.599492
  H      -1.786436     -5.376033      1.730315
  H      -2.792454     -6.076730      0.431846
  C      -1.887619      0.701891      0.935162
  C      -1.695697     -0.088093      2.002181
  C      -1.058365      0.432384      3.260978
  C      -2.045218     -1.560544      1.967648
  C      -3.537818     -1.926548      2.293497
  C      -4.493301     -1.460232      1.185703
  C      -3.948725     -1.214247      3.577331
  C      -7.439323     -7.075949      6.333316
  C      -8.055468     -5.964536      5.908631
  C      -8.667248     -4.994472      6.881224
  C      -8.247254     -5.696796      4.432714
  C      -7.187251     -4.805317      3.698695
  C      -7.657556     -4.622757      2.234344
  C      -7.174119     -3.410170      4.322520
  C      -3.400102     -4.707397      8.551641
  C      -3.068331     -5.610094      7.610988
  C      -4.069143     -6.621895      7.114360
  C      -1.673736     -5.671557      7.034014
  C      -1.410145     -4.912652      5.693938
  C       0.061399     -5.171687      5.297541
  C      -1.503121     -3.394501      5.912374
  H      -1.628063      1.762668      0.959114
  H      -2.298321      0.315108      0.001374
  H      -1.690242      0.257408      4.145651
  H      -0.850645      1.509613      3.191290
  H      -0.103133     -0.089915      3.449581
  H      -1.418057     -2.105000      2.691745
  H      -1.799613     -1.947462      0.969533
  H      -4.457230     -0.367538      1.107939
  H      -5.523128     -1.753599      1.430193
  H      -4.237218     -1.875050      0.204466
  H      -4.992220     -1.442657      3.831327
  H      -3.301862     -1.482427      4.420203
  H      -3.885320     -0.132007      3.416667
  H      -7.039623     -7.815466      5.638894
  H      -7.330768     -7.295602      7.397508
  H      -9.763642     -4.966640      6.752021
  H      -8.311721     -3.964628      6.725069
  H      -8.453858     -5.279810      7.919568
  H      -8.307588     -6.661755      3.909519
  H      -9.217574     -5.199223      4.277341
  H      -7.808080     -5.577400      1.707331
  H      -6.920901     -4.025530      1.673415
  H      -8.617093     -4.084902      2.221757
  H      -8.184959     -2.984289      4.285725
  H      -6.840647     -3.431850      5.363976
  H      -6.512362     -2.742414      3.752303
  H      -4.401048     -4.689210      8.990610
  H      -2.676907     -3.981459      8.933871
  H      -4.365835     -6.415735      6.070639
  H      -3.642843     -7.636894      7.134013
  H      -4.982858     -6.614542      7.719124
  H      -0.954414     -5.266661      7.761895
  H      -1.408936     -6.730885      6.880446
  H       0.312805     -6.237295      5.231625
  H       0.709369     -4.730560      6.065552
  H       0.301889     -4.691008      4.337851
  H      -2.407229     -3.082125      6.433230
  H      -0.640193     -3.071420      6.508616
  H      -1.463447     -2.868461      4.946815
  N      -4.454623     -3.497243      5.498945
  H      -4.855177     -2.562589      5.573396
  H      -4.278032     -3.865422      6.443152
86
Coordinates from ORCA-job orca E -5421.853844490897
  N      -3.592235     -3.416154      2.433508
  C      -3.376959     -4.108519      1.149174
  C      -2.797691     -5.490058      1.374580
  N      -3.607908     -6.167395      2.407597
  C      -4.879418     -6.696611      1.867289
  C      -5.851427     -6.747128      3.023175
  N      -5.843940     -5.443394      3.694310
  Mo     -4.049912     -4.567498      3.965059
  N      -2.391128     -5.422934      4.659102
  C      -1.862104     -6.631721      4.023004
  C      -2.880650     -7.248430      3.103021
  H      -1.569417     -7.378568      4.780736
  H      -0.946640     -6.394271      3.454762
  H      -3.616352     -7.823057      3.678667
  H      -2.403404     -7.934121      2.381490
  H      -6.845630     -7.006382      2.641508
  H      -5.585573     -7.547833      3.733342
  H      -5.258425     -5.995868      1.112997
  H      -4.717398     -7.677866      1.388969
  H      -2.673982     -3.550580      0.514559
  H      -4.324529     -4.166910      0.584678
  H      -1.771739     -5.393513      1.753697
  H      -2.770866     -6.083830      0.445188
  C      -1.909395      0.720767      0.916994
  C      -1.680757     -0.078926      1.965961
  C      -1.000339      0.431766      3.205774
  C      -2.032787     -1.553301      1.927130
  C      -3.519260     -1.921648      2.286038
  C      -4.495257     -1.457865      1.197344
  C      -3.901256     -1.209805      3.579701
  C      -7.411906     -7.133929      6.269915
  C      -8.032160     -6.006721      5.896604
  C      -8.617963     -5.066116      6.919414
  C      -8.253475     -5.694529      4.432849
  C      -7.198930     -4.795821      3.701272
  C      -7.673674     -4.607683      2.243631
  C      -7.188185     -3.408263      4.329944
  C      -3.432759     -4.694138      8.552491
  C      -3.089576     -5.601391      7.624497
  C      -4.076674     -6.630088      7.141525
  C      -1.693413     -5.655048      7.052694
  C      -1.433679     -4.904947      5.707685
  C       0.036588     -5.165073      5.313165
  C      -1.530291     -3.387177      5.915320
  H      -1.648790      1.782442      0.943606
  H      -2.353177      0.341170     -0.004299
  H      -1.597527      0.239821      4.107959
  H      -0.801895      1.510865      3.145577
  H      -0.037445     -0.082000      3.350797
  H      -1.388036     -2.101836      2.630882
  H      -1.811194     -1.931590      0.919304
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  H      -5.523853     -1.746847      1.465613
  H      -4.259716     -1.880097      0.211851
  H      -4.940659     -1.436266      3.856751
  H      -3.238902     -1.479432      4.406881
  H      -3.837664     -0.127348      3.418221
  H      -7.033644     -7.854134      5.539673
  H      -7.278507     -7.387349      7.324211
  H      -9.711831     -5.018193      6.807026
  H      -8.252936     -4.035028      6.801770
  H      -8.395139     -5.396378      7.944471
  H      -8.331406     -6.643830      3.884943
  H      -9.223143     -5.183463      4.311077
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  H      -8.203780     -2.990085      4.298508
  H      -6.845764     -3.434761      5.366149
  H      -6.530763     -2.732898      3.759807
  H      -4.433798     -4.683868      8.989419
  H      -2.719044     -3.958827      8.928016
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  H      -3.634851     -7.636499      7.171377
  H      -4.986435     -6.629556      7.750011
  H      -0.980172     -5.238479      7.779483
  H      -1.417829     -6.712184      6.909914
  H       0.288742     -6.230393      5.250733
  H       0.682972     -4.721957      6.080879
  H       0.277505     -4.686129      4.352659
  H      -2.431213     -3.073796      6.434628
  H      -0.667994     -3.061095      6.505216
  H      -1.498338     -2.867836      4.947872
  N      -4.474245     -3.476553      5.488919
  H      -4.862808     -2.534378      5.553676
  H      -4.312219     -3.843575      6.435554
86
Coordinates from ORCA-job orca E -5421.854082842115
  N      -3.589482     -3.420919      2.423497
  C      -3.372702     -4.122116      1.144121
  C      -2.798046     -5.503360      1.378104
  N      -3.614288     -6.172699      2.410989
  C      -4.886838     -6.698699      1.871878
  C      -5.863908     -6.736176      3.022690
  N      -5.849386     -5.430735      3.691182
  Mo     -4.053668     -4.563089      3.961615
  N      -2.394262     -5.417775      4.654337
  C      -1.874212     -6.636082      4.032089
  C      -2.894027     -7.253099      3.115585
  H      -1.591433     -7.378629      4.798262
  H      -0.955635     -6.412026      3.465253
  H      -3.633631     -7.820888      3.693678
  H      -2.417955     -7.946226      2.400878
  H      -6.858201     -6.988474      2.634866
  H      -5.610297     -7.538741      3.735947
  H      -5.262189     -6.004950      1.108498
  H      -4.729419     -7.684808      1.402518
  H      -2.669340     -3.570574      0.504212
  H      -4.320105     -4.185724      0.579811
  H      -1.772812     -5.408375      1.760330
  H      -2.769360     -6.100135      0.450675
  C      -1.885399      0.718946      0.943766
  C      -1.673538     -0.090328      1.991878
  C      -1.023896      0.406288      3.253884
  C      -2.023929     -1.562448      1.937506
  C      -3.514275     -1.928173      2.269213
  C      -4.471204     -1.464987      1.161458
  C      -3.918788     -1.210096      3.553407
  C      -7.394643     -7.148750      6.248618
  C      -8.020983     -6.019528      5.894186
  C      -8.599158     -5.092487      6.934234
  C      -8.255305     -5.690567      4.435711
  C      -7.206023     -4.785367      3.706328
  C      -7.684195     -4.591261      2.250892
  C      -7.199173     -3.400493      4.340372
  C      -3.419784     -4.677512      8.546533
  C      -3.078965     -5.588654      7.620338
  C      -4.068500     -6.619777      7.145085
  C      -1.683114     -5.643882      7.044004
  C      -1.432642     -4.895502      5.696834
  C       0.036482     -5.149952      5.293107
  C      -1.533571     -3.378075      5.904401
  H      -1.630862      1.778633      0.984470
  H      -2.311321      0.348594      0.009735
  H      -1.635429      0.194550      4.141272
  H      -0.837456      1.484472      3.211137
  H      -0.058029     -0.099717      3.413363
  H      -1.393346     -2.116108      2.651523
  H      -1.785107     -1.934885      0.931607
  H      -4.438624     -0.370905      1.081870
  H      -5.501348     -1.761527      1.406923
  H      -4.212987     -1.880013      0.179350
  H      -4.964800     -1.427448      3.808243
  H      -3.274008     -1.482245      4.397369
  H      -3.847095     -0.127601      3.389883
  H      -7.023179     -7.858720      5.504984
  H      -7.248951     -7.412480      7.298453
  H      -9.692933     -5.040242      6.826922
  H      -8.231557     -4.059921      6.831052
  H      -8.372959     -5.439151      7.954029
  H      -8.339133     -6.633915      3.877456
  H      -9.224302     -5.174546      4.328192
  H      -7.820595     -5.537660      1.712709
  H      -6.957599     -3.977099      1.698996
  H      -8.651602     -4.069252      2.245616
  H      -8.217759     -2.987999      4.311832
  H      -6.853992     -3.429496      5.375314
  H      -6.544926     -2.719246      3.772062
  H      -4.419996     -4.665406      8.987587
  H      -2.703786     -3.941195      8.917232
  H      -4.380592     -6.439466      6.102794
  H      -3.626167     -7.627462      7.175930
  H      -4.976595     -6.616672      7.759965
  H      -0.966603     -5.224247      7.766874
  H      -1.406790     -6.701539      6.901402
  H       0.294383     -6.213850      5.231027
  H       0.685456     -4.701283      6.055686
  H       0.268154     -4.671764      4.330022
  H      -2.434045     -3.067696      6.436374
  H      -0.662573     -3.047057      6.486708
  H      -1.513804     -2.861194      4.933729
  N      -4.475232     -3.455517      5.473748
  H      -4.857108     -2.510729      5.523271
  H      -4.326572     -3.813998      6.426896
86
Coordinates from ORCA-job orca E -5421.854324309523
  N      -3.592957     -3.418138      2.414443
  C      -3.368093     -4.126552      1.141284
  C      -2.792146     -5.504951      1.386369
  N      -3.618697     -6.170035      2.414170
  C      -4.888254     -6.692922      1.868383
  C      -5.877480     -6.720255      3.007714
  N      -5.857232     -5.416789      3.681246
  Mo     -4.063206     -4.553634      3.956294
  N      -2.404100     -5.400939      4.655473
  C      -1.890151     -6.628626      4.050036
  C      -2.907752     -7.247923      3.132279
  H      -1.619682     -7.366514      4.825376
  H      -0.965561     -6.417571      3.488659
  H      -3.653671     -7.809080      3.710432
  H      -2.429019     -7.948880      2.427357
  H      -6.868104     -6.960621      2.602464
  H      -5.645642     -7.530051      3.720941
  H      -5.255865     -6.006725      1.093351
  H      -4.733626     -7.683984      1.407742
  H      -2.665710     -3.578216      0.497151
  H      -4.313880     -4.201460      0.575052
  H      -1.770525     -5.406014      1.778683
  H      -2.752128     -6.104115      0.460294
  C      -1.851261      0.706451      0.946559
  C      -1.645190     -0.110511      1.990750
  C      -0.983547      0.371008      3.253148
  C      -2.014331     -1.578474      1.932253
  C      -3.508954     -1.928957      2.254699
  C      -4.454187     -1.463381      1.137362
  C      -3.920880     -1.203213      3.532765
  C      -7.392038     -7.221689      6.212348
  C      -8.007630     -6.075018      5.885905
  C      -8.556722     -5.159149      6.946778
  C      -8.257674     -5.709599      4.438234
  C      -7.218520     -4.779358      3.723257
  C      -7.702998     -4.549292      2.270523
  C      -7.220619     -3.405655      4.394689
  C      -3.434192     -4.647927      8.535178
  C      -3.086854     -5.565407      7.616712
  C      -4.069333     -6.605238      7.148131
  C      -1.688920     -5.617658      7.044601
  C      -1.442691     -4.872378      5.694737
  C       0.026602     -5.120877      5.286442
  C      -1.550920     -3.354931      5.900166
  H      -1.582798      1.762957      0.990175
  H      -2.286388      0.345671      0.011882
  H      -1.590322      0.154013      4.144673
  H      -0.789086      1.449415      3.218442
  H      -0.020686     -0.144373      3.399431
  H      -1.395817     -2.140730      2.649914
  H      -1.775498     -1.953813      0.926409
  H      -4.424471     -0.368862      1.064588
  H      -5.485800     -1.766018      1.368204
  H      -4.182736     -1.870965      0.155046
  H      -4.972823     -1.407969      3.771763
  H      -3.290411     -1.481867      4.386500
  H      -3.834113     -0.121416      3.369715
  H      -7.041790     -7.921114      5.452271
  H      -7.236039     -7.508686      7.254428
  H      -9.653733     -5.086525      6.855656
  H      -8.172432     -4.133720      6.857564
  H      -8.322238     -5.525959      7.952386
  H      -8.349521     -6.639117      3.855880
  H      -9.224639     -5.188066      4.355894
  H      -7.832215     -5.483255      1.702835
  H      -6.981061     -3.911360      1.736074
  H      -8.674630     -4.034551      2.280647
  H      -8.240150     -3.000228      4.382627
  H      -6.870205     -3.455671      5.427834
  H      -6.576467     -2.705752      3.840824
  H      -4.435175     -4.634900      8.974492
  H      -2.721026     -3.906044      8.901439
  H      -4.387047     -6.437726      6.105945
  H      -3.619913     -7.610326      7.185560
  H      -4.976414     -6.604195      7.765314
  H      -0.975664     -5.191720      7.766226
  H      -1.407605     -6.674697      6.906063
  H       0.290860     -6.183320      5.227266
  H       0.676007     -4.664868      6.044184
  H       0.251146     -4.645664      4.320177
  H      -2.451493     -3.048948      6.430770
  H      -0.684363     -3.019396      6.481471
  H      -1.532146     -2.840109      4.931197
  N      -4.490148     -3.438939      5.460939
  H      -4.857119     -2.488755      5.492422
  H      -4.363061     -3.787093      6.420817
86
Coordinates from ORCA-job orca E -5421.854497826154
  N      -3.570006     -3.417085      2.405342
  C      -3.325753     -4.133718      1.141045
  C      -2.768847     -5.516673      1.403784
  N      -3.623346     -6.167060      2.418685
  C      -4.891689     -6.669787      1.854845
  C      -5.896100     -6.688908      2.980461
  N      -5.862314     -5.392778      3.669125
  Mo     -4.066105     -4.539934      3.948454
  N      -2.424548     -5.401087      4.668289
  C      -1.926829     -6.644758      4.083422
  C      -2.942643     -7.252529      3.154898
  H      -1.682548     -7.379853      4.870016
  H      -0.990044     -6.457242      3.534138
  H      -3.707174     -7.797067      3.725328
  H      -2.465503     -7.966332      2.462041
  H      -6.883295     -6.905504      2.554550
  H      -5.693400     -7.511702      3.687230
  H      -5.240443     -5.977983      1.075717
  H      -4.746474     -7.662136      1.393049
  H      -2.606713     -3.595312      0.507025
  H      -4.260926     -4.205157      0.556502
  H      -1.753987     -5.427579      1.815622
  H      -2.717109     -6.120071      0.480902
  C      -1.848566      0.717332      0.939837
  C      -1.639404     -0.101366      1.982631
  C      -0.977231      0.379293      3.245386
  C      -2.001875     -1.570841      1.921599
  C      -3.496492     -1.930444      2.233211
  C      -4.433454     -1.483637      1.101102
  C      -3.928813     -1.198430      3.500310
  C      -7.374169     -7.294005      6.145845
  C      -7.976877     -6.126492      5.872743
  C      -8.488317     -5.243916      6.979134
  C      -8.254976     -5.707886      4.445480
  C      -7.225767     -4.760091      3.741158
  C      -7.721820     -4.499100      2.297999
  C      -7.228321     -3.401288      4.439981
  C      -3.464774     -4.606067      8.520135
  C      -3.106689     -5.539921      7.622150
  C      -4.076873     -6.598960      7.172997
  C      -1.705497     -5.593687      7.058736
  C      -1.456019     -4.867756      5.698457
  C       0.009788     -5.135029      5.287473
  C      -1.550926     -3.345527      5.884661
  H      -1.582567      1.775043      0.984869
  H      -2.281473      0.357281      0.003603
  H      -1.580865      0.154890      4.139272
  H      -0.787657      1.460543      3.213785
  H      -0.011013     -0.133532      3.385979
  H      -1.385629     -2.130113      2.643359
  H      -1.755129     -1.944815      0.917230
  H      -4.416406     -0.389287      1.021117
  H      -5.463692     -1.797981      1.320471
  H      -4.144225     -1.894413      0.124844
  H      -4.981945     -1.409916      3.726257
  H      -3.305833     -1.466706      4.363459
  H      -3.847984     -0.117377      3.332251
  H      -7.054469     -7.972888      5.354900
  H      -7.201451     -7.620520      7.173578
  H      -9.584183     -5.139122      6.904644
  H      -8.076808     -4.224615      6.932190
  H      -8.252039     -5.663146      7.965575
  H      -8.367470     -6.614551      3.833913
  H      -9.218805     -5.176321      4.403391
  H      -7.850156     -5.419081      1.709385
  H      -7.004744     -3.846728      1.776301
  H      -8.695567     -3.988636      2.324518
  H      -8.253302     -3.007826      4.451884
  H      -6.858274     -3.466274      5.466361
  H      -6.600336     -2.684580      3.890113
  H      -4.467020     -4.590360      8.955285
  H      -2.758162     -3.852234      8.874083
  H      -4.403179     -6.455399      6.130538
  H      -3.614562     -7.597280      7.227913
  H      -4.980813     -6.599433      7.793628
  H      -0.998237     -5.153230      7.776485
  H      -1.418195     -6.651257      6.938884
  H       0.264583     -6.200829      5.242379
  H       0.666687     -4.673802      6.035767
  H       0.234440     -4.675707      4.313543
  H      -2.441697     -3.027345      6.427354
  H      -0.672476     -3.005351      6.446883
  H      -1.544256     -2.844967      4.907954
  N      -4.492785     -3.427317      5.453841
  H      -4.841963     -2.470319      5.481107
  H      -4.381046     -3.776333      6.415988
86
Coordinates from ORCA-job orca E -5421.854660874436
  N      -3.574814     -3.415993      2.398143
  C      -3.323581     -4.134997      1.136487
  C      -2.766890     -5.517004      1.405981
  N      -3.627533     -6.165686      2.417880
  C      -4.893532     -6.664647      1.847444
  C      -5.904600     -6.679434      2.967503
  N      -5.868620     -5.385280      3.660232
  Mo     -4.071162     -4.535294      3.942585
  N      -2.428373     -5.392957      4.666504
  C      -1.932100     -6.639548      4.084169
  C      -2.951496     -7.249704      3.159557
  H      -1.683781     -7.372340      4.870771
  H      -0.996928     -6.453530      3.531199
  H      -3.717812     -7.787121      3.733593
  H      -2.478475     -7.968841      2.469404
  H      -6.889204     -6.888867      2.533994
  H      -5.711489     -7.504571      3.672329
  H      -5.231980     -5.972229      1.065353
  H      -4.750411     -7.658721      1.388484
  H      -2.601488     -3.597632      0.505818
  H      -4.255249     -4.208023      0.546339
  H      -1.755669     -5.426444      1.824718
  H      -2.709358     -6.123405      0.486000
  C      -1.823124      0.713013      0.943622
  C      -1.624789     -0.107681      1.987296
  C      -0.970856      0.369766      3.255437
  C      -1.991542     -1.575494      1.924433
  C      -3.491239     -1.930265      2.223825
  C      -4.414615     -1.483527      1.080124
  C      -3.935477     -1.191676      3.482884
  C      -7.370983     -7.322487      6.132558
  C      -7.963751     -6.147327      5.875052
  C      -8.454949     -5.269706      6.994729
  C      -8.253646     -5.716374      4.455436
  C      -7.234773     -4.759118      3.748316
  C      -7.744344     -4.491227      2.312377
  C      -7.239768     -3.404858      4.453868
  C      -3.476347     -4.596596      8.517826
  C      -3.114086     -5.530784      7.622120
  C      -4.078732     -6.595475      7.177570
  C      -1.712498     -5.579845      7.060672
  C      -1.461834     -4.858345      5.697679
  C       0.003283     -5.129951      5.288585
  C      -1.555903     -3.335403      5.880115
  H      -1.553225      1.770156      0.991733
  H      -2.247868      0.356422      0.002888
  H      -1.580101      0.142879      4.145685
  H      -0.780638      1.451779      3.228023
  H      -0.005628     -0.146461      3.399940
  H      -1.383658     -2.136614      2.651715
  H      -1.738039     -1.952816      0.923376
  H      -4.396209     -0.388444      1.000070
  H      -5.447872     -1.798515      1.287151
  H      -4.113149     -1.895304      0.107504
  H      -4.991570     -1.403708      3.699491
  H      -3.320519     -1.456150      4.351649
  H      -3.850395     -0.111401      3.312874
  H      -7.071183     -8.002842      5.334221
  H      -7.191723     -7.658004      7.155131
  H      -9.549733     -5.149065      6.930217
  H      -8.029775     -4.255303      6.957513
  H      -8.217452     -5.705523      7.974417
  H      -8.370957     -6.615984      3.836899
  H      -9.219324     -5.187655      4.428240
  H      -7.874449     -5.407165      1.720541
  H      -7.033467     -3.834695      1.789266
  H      -8.719692     -3.983877      2.350348
  H      -8.269149     -3.022644      4.477734
  H      -6.861566     -3.469194      5.476925
  H      -6.623564     -2.679039      3.902598
  H      -4.477851     -4.584046      8.953725
  H      -2.772966     -3.839300      8.869817
  H      -4.406875     -6.458186      6.134435
  H      -3.611763     -7.590957      7.236713
  H      -4.982004     -6.598771      7.798487
  H      -1.009225     -5.131716      7.777618
  H      -1.418980     -6.636218      6.946797
  H       0.256333     -6.196790      5.253852
  H       0.661789     -4.662448      6.031480
  H       0.227527     -4.680447      4.309925
  H      -2.446464     -3.016889      6.422091
  H      -0.677882     -2.992995      6.441403
  H      -1.548143     -2.835411      4.902368
  N      -4.493665     -3.421542      5.445948
  H      -4.840139     -2.462058      5.466272
  H      -4.387840     -3.767340      6.410283
86
Coordinates from ORCA-job orca E -5421.854814682134
  N      -3.570816     -3.414814      2.390405
  C      -3.308482     -4.138889      1.133797
  C      -2.759404     -5.521954      1.415689
  N      -3.633826     -6.163046      2.421555
  C      -4.897509     -6.651517      1.838581
  C      -5.920390     -6.657253      2.948270
  N      -5.877087     -5.366875      3.647176
  Mo     -4.076422     -4.525008      3.936943
  N      -2.438601     -5.387453      4.672225
  C      -1.948913     -6.640923      4.096321
  C      -2.973629     -7.248009      3.174613
  H      -1.701742     -7.370954      4.885743
  H      -1.013206     -6.463141      3.540728
  H      -3.748294     -7.768209      3.752628
  H      -2.509414     -7.979620      2.491203
  H      -6.903055     -6.851439      2.503895
  H      -5.743769     -7.487080      3.650767
  H      -5.216891     -5.955385      1.053205
  H      -4.759050     -7.647733      1.383259
  H      -2.576262     -3.605561      0.511876
  H      -4.232358     -4.207983      0.531558
  H      -1.753936     -5.433470      1.845969
  H      -2.695081     -6.134784      0.501104
  C      -1.805714      0.707845      0.923552
  C      -1.613759     -0.106243      1.973369
  C      -0.975833      0.382874      3.245252
  C      -1.974411     -1.575313      1.918422
  C      -3.477396     -1.930204      2.209322
  C      -4.388975     -1.490240      1.053221
  C      -3.932181     -1.179843      3.457254
  C      -7.371042     -7.384272      6.085649
  C      -7.941039     -6.191215      5.863759
  C      -8.387664     -5.325949      7.013135
  C      -8.249858     -5.724852      4.459759
  C      -7.243868     -4.747931      3.760145
  C      -7.768428     -4.457810      2.335440
  C      -7.248020     -3.406845      4.487978
  C      -3.493127     -4.580640      8.518225
  C      -3.129458     -5.519990      7.628064
  C      -4.092038     -6.590799      7.193694
  C      -1.727206     -5.569398      7.068215
  C      -1.472967     -4.853362      5.703553
  C      -0.008889     -5.132087      5.299030
  C      -1.564001     -3.331206      5.883688
  H      -1.541871      1.766690      0.969835
  H      -2.217262      0.345419     -0.020528
  H      -1.588290      0.151512      4.131766
  H      -0.798195      1.466511      3.217454
  H      -0.007155     -0.124164      3.397649
  H      -1.370880     -2.129370      2.654372
  H      -1.712639     -1.961971      0.922964
  H      -4.372652     -0.395785      0.970416
  H      -5.424128     -1.808778      1.248987
  H      -4.074477     -1.904631      0.086338
  H      -4.987818     -1.400081      3.672155
  H      -3.318261     -1.427871      4.329719
  H      -3.850666     -0.100955      3.277222
  H      -7.106181     -8.059105      5.269593
  H      -7.179880     -7.743312      7.097412
  H      -9.479192     -5.171874      6.971963
  H      -7.934996     -4.323806      6.994811
  H      -8.146103     -5.794158      7.976455
  H      -8.376546     -6.607501      3.819055
  H      -9.217996     -5.199302      4.460053
  H      -7.901758     -5.363623      1.730496
  H      -7.063679     -3.791668      1.816961
  H      -8.744539     -3.954517      2.391551
  H      -8.282018     -3.039228      4.536598
  H      -6.854371     -3.479449      5.504869
  H      -6.651377     -2.664423      3.938350
  H      -4.494040     -4.567356      8.955992
  H      -2.791114     -3.819015      8.863898
  H      -4.421398     -6.464377      6.149504
  H      -3.623039     -7.584835      7.261966
  H      -4.995837     -6.591689      7.815755
  H      -1.026520     -5.113941      7.784616
  H      -1.429164     -6.625396      6.961185
  H       0.239578     -6.200321      5.274680
  H       0.651580     -4.660927      6.037871
  H       0.217381     -4.691969      4.316504
  H      -2.452776     -3.011539      6.426814
  H      -0.684366     -2.990085      6.442843
  H      -1.557331     -2.829293      4.906293
  N      -4.488144     -3.407592      5.437872
  H      -4.829591     -2.445136      5.452359
  H      -4.391849     -3.752418      6.403468
86
Coordinates from ORCA-job orca E -5421.854914935669
  N      -3.581198     -3.413133      2.381388
  C      -3.312293     -4.140030      1.127196
  C      -2.760914     -5.521181      1.415489
  N      -3.638302     -6.161076      2.420240
  C      -4.899850     -6.649782      1.832298
  C      -5.928626     -6.650492      2.936343
  N      -5.885055     -5.360431      3.635588
  Mo     -4.084032     -4.519012      3.929912
  N      -2.443551     -5.377711      4.669129
  C      -1.954396     -6.633503      4.096706
  C      -2.982427     -7.242991      3.180711
  H      -1.702886     -7.360304      4.888044
  H      -1.020421     -6.457845      3.536757
  H      -3.759691     -7.752154      3.765460
  H      -2.524094     -7.983520      2.502525
  H      -6.910265     -6.840206      2.487953
  H      -5.757088     -7.480601      3.639955
  H      -5.210786     -5.954652      1.043071
  H      -4.760299     -7.648276      1.382558
  H      -2.577297     -3.606001      0.508929
  H      -4.232539     -4.210052      0.519767
  H      -1.757838     -5.428239      1.850079
  H      -2.692106     -6.138743      0.504224
  C      -1.773413      0.695418      0.928573
  C      -1.599361     -0.115641      1.983532
  C      -0.975065      0.376865      3.260721
  C      -1.964796     -1.583536      1.930477
  C      -3.474395     -1.929487      2.201166
  C      -4.366519     -1.484613      1.030660
  C      -3.945266     -1.174506      3.440143
  C      -7.377688     -7.422822      6.068253
  C      -7.923644     -6.214842      5.863739
  C      -8.332140     -5.348304      7.027684
  C      -8.247071     -5.734605      4.468675
  C      -7.253084     -4.748052      3.765661
  C      -7.794217     -4.453600      2.349328
  C      -7.255691     -3.411175      4.498436
  C      -3.501545     -4.567290      8.515939
  C      -3.138159     -5.508512      7.627329
  C      -4.100634     -6.582192      7.198490
  C      -1.736135     -5.557449      7.066644
  C      -1.479251     -4.843076      5.701067
  C      -0.015453     -5.126466      5.297892
  C      -1.566338     -3.320714      5.880755
  H      -1.506340      1.753754      0.975471
  H      -2.173047      0.331769     -0.019765
  H      -1.595514      0.145280      4.140948
  H      -0.799309      1.460877      3.234230
  H      -0.007178     -0.128714      3.422905
  H      -1.373648     -2.137255      2.677165
  H      -1.690363     -1.977527      0.941453
  H      -4.346433     -0.390149      0.949538
  H      -5.405398     -1.801058      1.209881
  H      -4.037707     -1.898656      0.068897
  H      -5.002783     -1.396493      3.644051
  H      -3.340211     -1.415432      4.320973
  H      -3.863139     -0.096816      3.256167
  H      -7.142790     -8.100464      5.244362
  H      -7.179306     -7.793052      7.075254
  H      -9.419821     -5.165899      7.002917
  H      -7.854639     -4.357675      7.013344
  H      -8.089092     -5.832955      7.982596
  H      -8.377255     -6.609953      3.819850
  H      -9.218947     -5.214712      4.484263
  H      -7.933068     -5.357446      1.743227
  H      -7.095902     -3.785474      1.825093
  H      -8.770458     -3.952460      2.418747
  H      -8.292577     -3.054914      4.564773
  H      -6.848518     -3.481410      5.509481
  H      -6.675212     -2.660077      3.942918
  H      -4.502015     -4.553779      8.954829
  H      -2.800043     -3.803850      8.858888
  H      -4.430092     -6.460590      6.153418
  H      -3.631471     -7.575693      7.270345
  H      -5.004234     -6.581371      7.820907
  H      -1.036852     -5.099223      7.782954
  H      -1.436070     -6.613127      6.961989
  H       0.229358     -6.195705      5.276481
  H       0.647321     -4.655689      6.035190
  H       0.211791     -4.689525      4.314165
  H      -2.456047     -2.998559      6.421445
  H      -0.687585     -2.982312      6.443289
  H      -1.554356     -2.816517      4.904639
  N      -4.490936     -3.398392      5.427894
  H      -4.831240     -2.435577      5.436467
  H      -4.396630     -3.738555      6.395249
86
Coordinates from ORCA-job orca E -5421.855052966903
  N      -3.578161     -3.411370      2.367784
  C      -3.297009     -4.145433      1.119999
  C      -2.754791     -5.527338      1.421810
  N      -3.645572     -6.156858      2.421360
  C      -4.905417     -6.637039      1.822219
  C      -5.944812     -6.628334      2.915523
  N      -5.895106     -5.341341      3.620296
  Mo     -4.091794     -4.505106      3.919499
  N      -2.459421     -5.370243      4.673936
  C      -1.977573     -6.633481      4.111534
  C      -3.007978     -7.238894      3.196288
  H      -1.733625     -7.356601      4.908803
  H      -1.040550     -6.469356      3.552944
  H      -3.795680     -7.728288      3.784329
  H      -2.557853     -7.994357      2.529001
  H      -6.924674     -6.804331      2.457723
  H      -5.788332     -7.462624      3.618279
  H      -5.201038     -5.940143      1.028720
  H      -4.768510     -7.637906      1.377328
  H      -2.550710     -3.616523      0.510452
  H      -4.208851     -4.211547      0.499871
  H      -1.755934     -5.435601      1.866113
  H      -2.680391     -6.152432      0.515978
  C      -1.739411      0.683631      0.919272
  C      -1.584932     -0.119436      1.982992
  C      -0.984555      0.384202      3.267171
  C      -1.948252     -1.587868      1.935341
  C      -3.462792     -1.929498      2.182883
  C      -4.334159     -1.487703      0.994641
  C      -3.953140     -1.167135      3.409637
  C      -7.383839     -7.497848      6.013561
  C      -7.889534     -6.265492      5.851989
  C      -8.224664     -5.409776      7.048395
  C      -8.241311     -5.745180      4.478480
  C      -7.264167     -4.738105      3.780390
  C      -7.826226     -4.423877      2.377031
  C      -7.266103     -3.413401      4.533770
  C      -3.522234     -4.539166      8.510875
  C      -3.157971     -5.488936      7.631902
  C      -4.119342     -6.569475      7.216737
  C      -1.755264     -5.541663      7.072265
  C      -1.493933     -4.834181      5.703477
  C      -0.030865     -5.125032      5.303290
  C      -1.575288     -3.311487      5.877294
  H      -1.475584      1.742607      0.964588
  H      -2.120510      0.313016     -0.033746
  H      -1.616171      0.150980      4.138266
  H      -0.817999      1.469169      3.239094
  H      -0.014872     -0.112002      3.446449
  H      -1.369266     -2.135405      2.696136
  H      -1.656344     -1.990726      0.955113
  H      -4.311550     -0.393461      0.908393
  H      -5.376519     -1.802473      1.158314
  H      -3.989154     -1.907361      0.040868
  H      -5.011595     -1.393716      3.603231
  H      -3.356315     -1.394532      4.299865
  H      -3.874778     -0.090865      3.216648
  H      -7.201719     -8.168046      5.169682
  H      -7.166698     -7.895074      7.006373
  H      -9.302632     -5.174937      7.057821
  H      -7.700957     -4.443163      7.046754
  H      -7.978736     -5.930851      7.982664
  H      -8.383231     -6.601249      3.806742
  H      -9.215357     -5.229922      4.528254
  H      -7.971496     -5.319138      1.759406
  H      -7.136152     -3.746950      1.852723
  H      -8.802613     -3.927081      2.467849
  H      -8.305617     -3.073261      4.629265
  H      -6.837920     -3.490833      5.534367
  H      -6.709668     -2.644620      3.977416
  H      -4.522898     -4.522394      8.949225
  H      -2.821973     -3.771530      8.846219
  H      -4.450135     -6.461210      6.171035
  H      -3.648434     -7.561161      7.299552
  H      -5.022234     -6.563494      7.840476
  H      -1.057635     -5.079361      7.787679
  H      -1.454301     -6.597600      6.974351
  H       0.209005     -6.195164      5.285812
  H       0.633740     -4.655396      6.039471
  H       0.199010     -4.691964      4.318519
  H      -2.462413     -2.984694      6.419169
  H      -0.694194     -2.975272      6.437435
  H      -1.564138     -2.808370      4.900534
  N      -4.491126     -3.378780      5.413786
  H      -4.821604     -2.412128      5.416898
  H      -4.409029     -3.718926      6.382495
86
Coordinates from ORCA-job orca E -5421.855179418429
  N      -3.572994     -3.409244      2.356415
  C      -3.278940     -4.149924      1.114924
  C      -2.748101     -5.533395      1.429229
  N      -3.653052     -6.152095      2.422927
  C      -4.911825     -6.622556      1.812847
  C      -5.960637     -6.606099      2.896374
  N      -5.904822     -5.322439      3.607249
  Mo     -4.099042     -4.491264      3.910801
  N      -2.476204     -5.364656      4.680295
  C      -2.002142     -6.634943      4.126964
  C      -3.034344     -7.235258      3.211035
  H      -1.767282     -7.355148      4.929617
  H      -1.061673     -6.482132      3.570977
  H      -3.832394     -7.706193      3.800521
  H      -2.591976     -8.004096      2.553927
  H      -6.938808     -6.768669      2.429829
  H      -5.818627     -7.444530      3.597717
  H      -5.193423     -5.922727      1.016716
  H      -4.778102     -7.624902      1.370575
  H      -2.520480     -3.626622      0.515140
  H      -4.181714     -4.211258      0.481405
  H      -1.753166     -5.444697      1.883038
  H      -2.668962     -6.164838      0.528014
  C      -1.709105      0.671779      0.906087
  C      -1.573404     -0.120224      1.980463
  C      -0.995951      0.398154      3.269408
  C      -1.933954     -1.589660      1.941518
  C      -3.452052     -1.928855      2.167170
  C      -4.304259     -1.491092      0.962839
  C      -3.961374     -1.160615      3.382394
  C      -7.392276     -7.567069      5.957994
  C      -7.854636     -6.312380      5.838206
  C      -8.112836     -5.470135      7.063393
  C      -8.235411     -5.753333      4.488088
  C      -7.274605     -4.728256      3.793910
  C      -7.856534     -4.398624      2.402604
  C      -7.275573     -3.414085      4.563939
  C      -3.541141     -4.512383      8.506818
  C      -3.176662     -5.471786      7.638408
  C      -4.137599     -6.558569      7.237817
  C      -1.773595     -5.529482      7.078961
  C      -1.508537     -4.828134      5.707334
  C      -0.046580     -5.127268      5.308982
  C      -1.583071     -3.304824      5.876111
  H      -1.448313      1.731676      0.946215
  H      -2.072452      0.290890     -0.049894
  H      -1.638459      0.166699      4.132679
  H      -0.837402      1.484017      3.235635
  H      -0.025123     -0.088464      3.466777
  H      -1.366343     -2.128774      2.716814
  H      -1.624768     -2.002415      0.970661
  H      -4.280774     -0.397556      0.872078
  H      -5.348837     -1.805466      1.111390
  H      -3.943738     -1.914780      0.016995
  H      -5.020515     -1.391821      3.566008
  H      -3.372477     -1.375484      4.281198
  H      -3.887405     -0.085618      3.181081
  H      -7.265301     -8.227472      5.096036
  H      -7.156183     -7.991744      6.935435
  H      -9.177049     -5.181541      7.108256
  H      -7.540607     -4.531502      7.070324
  H      -7.866848     -6.026342      7.976878
  H      -8.391315     -6.590262      3.795756
  H      -9.209796     -5.242095      4.572174
  H      -8.007463     -5.286702      1.776079
  H      -7.175101     -3.714014      1.877152
  H      -8.833119     -3.906821      2.512580
  H      -8.316903     -3.089568      4.686868
  H      -6.825407     -3.496276      5.553725
  H      -6.742834     -2.630256      4.005724
  H      -4.542069     -4.491477      8.944684
  H      -2.841600     -3.740361      8.833456
  H      -4.470520     -6.463148      6.191909
  H      -3.665060     -7.548537      7.330880
  H      -5.039091     -6.546892      7.863913
  H      -1.076416     -5.064662      7.793357
  H      -1.473140     -6.586015      6.986531
  H       0.187911     -6.198472      5.293681
  H       0.620248     -4.660057      6.044664
  H       0.185847     -4.696775      4.323714
  H      -2.467497     -2.972490      6.419613
  H      -0.699225     -2.971500      6.433827
  H      -1.572751     -2.803120      4.898820
  N      -4.492604     -3.359947      5.401710
  H      -4.812234     -2.389443      5.400554
  H      -4.422973     -3.700796      6.371458
86
Coordinates from ORCA-job orca E -5421.855352494873
  N      -3.563858     -3.407797      2.348022
  C      -3.256205     -4.154668      1.112641
  C      -2.740811     -5.541132      1.437902
  N      -3.660464     -6.147305      2.425702
  C      -4.919763     -6.606003      1.805738
  C      -5.975404     -6.584358      2.881716
  N      -5.913916     -5.303770      3.598601
  Mo     -4.104759     -4.477812      3.905138
  N      -2.493422     -5.362830      4.688709
  C      -2.028383     -6.640125      4.143926
  C      -3.061643     -7.233447      3.225453
  H      -1.805652     -7.358121      4.952049
  H      -1.083729     -6.499324      3.592341
  H      -3.870407     -7.687188      3.814202
  H      -2.626629     -8.014141      2.577695
  H      -6.952736     -6.735414      2.409109
  H      -5.845035     -7.426137      3.581958
  H      -5.190038     -5.900698      1.009994
  H      -4.789916     -7.608245      1.362340
  H      -2.483628     -3.638217      0.524456
  H      -4.148738     -4.208898      0.464342
  H      -1.748719     -5.458896      1.899844
  H      -2.659620     -6.177543      0.540087
  C      -1.683700      0.659473      0.888822
  C      -1.566859     -0.117518      1.975947
  C      -1.013524      0.419838      3.267782
  C      -1.922826     -1.588455      1.948739
  C      -3.442489     -1.928289      2.154173
  C      -4.278689     -1.496342      0.935973
  C      -3.969440     -1.156382      3.359615
  C      -7.403058     -7.628087      5.898884
  C      -7.820882     -6.354427      5.820437
  C      -7.999765     -5.529422      7.071109
  C      -8.231084     -5.757559      4.494872
  C      -7.284448     -4.716929      3.804933
  C      -7.882793     -4.375201      2.422867
  C      -7.286433     -3.411210      4.589662
  C      -3.554543     -4.487530      8.505454
  C      -3.191556     -5.457520      7.648227
  C      -4.153284     -6.549952      7.263483
  C      -1.788978     -5.521924      7.086894
  C      -1.521896     -4.826263      5.712373
  C      -0.061334     -5.133044      5.314081
  C      -1.589124     -3.302062      5.875716
  H      -1.426871      1.720350      0.920138
  H      -2.028909      0.264172     -0.068122
  H      -1.668815      0.194718      4.122850
  H      -0.861137      1.506171      3.223364
  H      -0.042424     -0.056509      3.487076
  H      -1.364875     -2.116155      2.738640
  H      -1.596161     -2.011043      0.987965
  H      -4.253785     -0.403565      0.838509
  H      -5.325059     -1.809096      1.073018
  H      -3.905856     -1.925775     -0.002411
  H      -5.028506     -1.392734      3.535534
  H      -3.386565     -1.359312      4.265597
  H      -3.902266     -0.082397      3.150025
  H      -7.330019     -8.273509      5.019364
  H      -7.145828     -8.079869      6.859167
  H      -9.045205     -5.187325      7.152775
  H      -7.378910     -4.622254      7.082013
  H      -7.756173     -6.118512      7.964379
  H      -8.402984     -6.576171      3.783676
  H      -9.203824     -5.248692      4.613033
  H      -8.035691     -5.257608      1.787783
  H      -7.211164     -3.680902      1.896782
  H      -8.860985     -3.890951      2.549142
  H      -8.328130     -3.098914      4.734658
  H      -6.818366     -3.498455      5.569694
  H      -6.773549     -2.614520      4.031294
  H      -4.555221     -4.462017      8.943896
  H      -2.854781     -3.711475      8.822132
  H      -4.489132     -6.465821      6.217715
  H      -3.679260     -7.538360      7.364924
  H      -5.052099     -6.532046      7.893301
  H      -1.090330     -5.056896      7.799602
  H      -1.491181     -6.579436      6.998337
  H       0.168510     -6.205014      5.298775
  H       0.607424     -4.669097      6.049960
  H       0.173107     -4.703221      4.329068
  H      -2.471690     -2.963576      6.418951
  H      -0.703611     -2.971687      6.432779
  H      -1.578074     -2.802886      4.897368
  N      -4.494694     -3.340032      5.391652
  H      -4.804574     -2.366275      5.387937
  H      -4.435727     -3.682340      6.362032
86
Coordinates from ORCA-job orca E -5421.855490037049
  N      -3.554585     -3.405909      2.340319
  C      -3.233159     -4.158478      1.111232
  C      -2.733321     -5.547976      1.446828
  N      -3.668014     -6.142064      2.427743
  C      -4.927564     -6.588040      1.797596
  C      -5.989872     -6.562522      2.866227
  N      -5.922776     -5.285399      3.590076
  Mo     -4.110866     -4.464765      3.899526
  N      -2.511784     -5.360832      4.697442
  C      -2.055421     -6.644814      4.160981
  C      -3.088991     -7.231262      3.238547
  H      -1.845553     -7.361022      4.974128
  H      -1.106149     -6.515575      3.614872
  H      -3.908201     -7.669483      3.824949
  H      -2.660057     -8.022349      2.599572
  H      -6.965751     -6.701898      2.386578
  H      -5.872068     -7.408130      3.564480
  H      -5.186918     -5.876559      1.003248
  H      -4.802141     -7.589489      1.351177
  H      -2.447356     -3.648860      0.534322
  H      -4.115455     -4.206672      0.448630
  H      -1.744461     -5.472729      1.917440
  H      -2.649436     -6.188219      0.551752
  C      -1.656154      0.646318      0.870351
  C      -1.559058     -0.114846      1.970358
  C      -1.029090      0.441133      3.264254
  C      -1.912356     -1.586703      1.955678
  C      -3.433057     -1.927268      2.142031
  C      -4.254199     -1.501174      0.911277
  C      -3.976543     -1.152060      3.338066
  C      -7.414596     -7.686745      5.841922
  C      -7.783648     -6.396121      5.802298
  C      -7.877332     -5.588841      7.072980
  C      -8.225464     -5.762709      4.503945
  C      -7.294364     -4.706999      3.816448
  C      -7.909918     -4.354294      2.443856
  C      -7.298112     -3.409086      4.615066
  C      -3.570077     -4.462764      8.503466
  C      -3.207955     -5.443556      7.658263
  C      -4.169506     -6.541515      7.289267
  C      -1.805933     -5.514530      7.095601
  C      -1.537033     -4.824163      5.718478
  C      -0.077793     -5.137649      5.320174
  C      -1.598055     -3.299185      5.876822
  H      -1.401132      1.707634      0.891514
  H      -1.983885      0.236197     -0.086690
  H      -1.697751      0.224591      4.111032
  H      -0.879914      1.527272      3.208034
  H      -0.059498     -0.027032      3.505866
  H      -1.364339     -2.102989      2.759802
  H      -1.569496     -2.019407      1.005107
  H      -4.228268     -0.409220      0.808182
  H      -5.301858     -1.813098      1.036958
  H      -3.869697     -1.934972     -0.020215
  H      -5.035524     -1.393456      3.506511
  H      -3.399261     -1.344195      4.250378
  H      -3.915563     -0.079015      3.121150
  H      -7.400574     -8.317258      4.948773
  H      -7.136536     -8.165256      6.783650
  H      -8.898731     -5.190174      7.193455
  H      -7.205043     -4.718604      7.081575
  H      -7.639067     -6.208693      7.946633
  H      -8.416998     -6.562796      3.776115
  H      -9.194298     -5.255456      4.659114
  H      -8.063682     -5.231078      1.800502
  H      -7.249644     -3.649207      1.917401
  H      -8.890166     -3.878926      2.586567
  H      -8.340010     -3.109984      4.781568
  H      -6.811836     -3.500339      5.585273
  H      -6.805476     -2.600146      4.056750
  H      -4.570556     -4.432287      8.942035
  H      -2.870342     -3.682684      8.809916
  H      -4.508577     -6.468406      6.244104
  H      -3.693384     -7.528036      7.398916
  H      -5.065606     -6.517570      7.922618
  H      -1.105740     -5.049839      7.806709
  H      -1.511168     -6.573040      7.010436
  H       0.148362     -6.210247      5.305457
  H       0.592446     -4.675776      6.055898
  H       0.158235     -4.709016      4.335063
  H      -2.478681     -2.955396      6.420617
  H      -0.710700     -2.971022      6.432721
  H      -1.586980     -2.802792      4.897161
  N      -4.499882     -3.321920      5.382271
  H      -4.797911     -2.344415      5.376155
  H      -4.454702     -3.666056      6.353025
86
Coordinates from ORCA-job orca E -5421.855804286320
  N      -3.546712     -3.404888      2.340513
  C      -3.215714     -4.157305      1.112852
  C      -2.730718     -5.551728      1.448436
  N      -3.673496     -6.138485      2.425512
  C      -4.936779     -6.572889      1.790851
  C      -5.999022     -6.552551      2.858928
  N      -5.930016     -5.276550      3.587249
  Mo     -4.115588     -4.459315      3.899314
  N      -2.527042     -5.368078      4.704361
  C      -2.074718     -6.653795      4.168719
  C      -3.106361     -7.233347      3.239675
  H      -1.876565     -7.371473      4.983395
  H      -1.121518     -6.529088      3.629117
  H      -3.932497     -7.665627      3.821117
  H      -2.679418     -8.027595      2.603917
  H      -6.976339     -6.688685      2.379694
  H      -5.883186     -7.399502      3.556710
  H      -5.194491     -5.850738      1.004684
  H      -4.814105     -7.569563      1.333173
  H      -2.419379     -3.652114      0.546093
  H      -4.090749     -4.196630      0.439974
  H      -1.740957     -5.487143      1.919956
  H      -2.650868     -6.189482      0.550994
  C      -1.626987      0.623987      0.850207
  C      -1.559010     -0.109135      1.970716
  C      -1.060288      0.477106      3.263984
  C      -1.910844     -1.581660      1.977208
  C      -3.430102     -1.925183      2.144679
  C      -4.241019     -1.500569      0.906984
  C      -3.986941     -1.154615      3.337768
  C      -7.436634     -7.719494      5.808158
  C      -7.745220     -6.413583      5.789607
  C      -7.738484     -5.605761      7.060083
  C      -8.220326     -5.761110      4.512616
  C      -7.303371     -4.701325      3.814757
  C      -7.931817     -4.359519      2.443220
  C      -7.312600     -3.398484      4.609392
  C      -3.579676     -4.447410      8.502045
  C      -3.218228     -5.440677      7.671097
  C      -4.179433     -6.543417      7.317681
  C      -1.818459     -5.519553      7.103929
  C      -1.549786     -4.831564      5.725264
  C      -0.090875     -5.146529      5.325457
  C      -1.607153     -3.305622      5.880646
  H      -1.370949      1.684679      0.851289
  H      -1.932921      0.188055     -0.103138
  H      -1.753432      0.287158      4.097600
  H      -0.902702      1.560655      3.182426
  H      -0.099247      0.013736      3.544377
  H      -1.372999     -2.080545      2.798550
  H      -1.550070     -2.027908      1.039685
  H      -4.210240     -0.409506      0.800341
  H      -5.290183     -1.807529      1.025999
  H      -3.851941     -1.937350     -0.021278
  H      -5.044634     -1.402249      3.502286
  H      -3.411122     -1.340490      4.252917
  H      -3.936066     -0.081305      3.117672
  H      -7.488788     -8.341174      4.910376
  H      -7.137747     -8.215536      6.734940
  H      -8.722747     -5.130430      7.211713
  H      -6.998481     -4.790588      7.042797
  H      -7.518252     -6.241093      7.927382
  H      -8.433899     -6.553655      3.780895
  H      -9.182667     -5.251488      4.699214
  H      -8.081347     -5.240775      1.803726
  H      -7.286520     -3.647072      1.907497
  H      -8.916304     -3.895289      2.593291
  H      -8.353950     -3.104451      4.784244
  H      -6.815605     -3.484294      5.574203
  H      -6.832180     -2.587471      4.044551
  H      -4.580495     -4.411547      8.938986
  H      -2.880724     -3.662133      8.796852
  H      -4.522155     -6.473299      6.273583
  H      -3.699925     -7.527928      7.428085
  H      -5.069668     -6.515676      7.956892
  H      -1.113957     -5.060403      7.813165
  H      -1.530530     -6.579589      7.017657
  H       0.135672     -6.218795      5.306975
  H       0.578178     -4.686715      6.063380
  H       0.146000     -4.714534      4.342145
  H      -2.491551     -2.957514      6.416791
  H      -0.723990     -2.979142      6.445420
  H      -1.586521     -2.812398      4.899590
  N      -4.510949     -3.311893      5.378599
  H      -4.803606     -2.332937      5.375038
  H      -4.470871     -3.658803      6.348927
86
Coordinates from ORCA-job orca E -5421.856017759414
  N      -3.551443     -3.404135      2.349177
  C      -3.223127     -4.149311      1.116322
  C      -2.738974     -5.546702      1.440256
  N      -3.673616     -6.138425      2.420899
  C      -4.941264     -6.575503      1.795085
  C      -5.995279     -6.566828      2.871019
  N      -5.932806     -5.285301      3.592175
  Mo     -4.118750     -4.466550      3.905865
  N      -2.529280     -5.375667      4.705249
  C      -2.068144     -6.653490      4.159278
  C      -3.095298     -7.235410      3.226165
  H      -1.868166     -7.376349      4.968683
  H      -1.115511     -6.517367      3.622157
  H      -3.916373     -7.682037      3.803416
  H      -2.660104     -8.019820      2.584373
  H      -6.973781     -6.716381      2.399026
  H      -5.868116     -7.408304      3.573173
  H      -5.212601     -5.848578      1.017580
  H      -4.816449     -7.566863      1.326470
  H      -2.429627     -3.642231      0.547671
  H      -4.101581     -4.186273      0.447470
  H      -1.744140     -5.487503      1.902621
  H      -2.666533     -6.175704      0.536062
  C      -1.601779      0.598364      0.839981
  C      -1.562782     -0.107655      1.978819
  C      -1.087622      0.503885      3.269439
  C      -1.921406     -1.578795      2.005057
  C      -3.439355     -1.921992      2.161797
  C      -4.248247     -1.490742      0.926083
  C      -3.999481     -1.160496      3.359834
  C      -7.482707     -7.709828      5.824441
  C      -7.733250     -6.392560      5.791352
  C      -7.642622     -5.555620      7.036047
  C      -8.224097     -5.750245      4.515542
  C      -7.308498     -4.705996      3.794653
  C      -7.935129     -4.395801      2.412388
  C      -7.324131     -3.382469      4.558576
  C      -3.564312     -4.466214      8.513874
  C      -3.208538     -5.459844      7.681846
  C      -4.173145     -6.559056      7.330362
  C      -1.813647     -5.540265      7.103538
  C      -1.553972     -4.839538      5.730278
  C      -0.093463     -5.139441      5.324432
  C      -1.621947     -3.315257      5.897065
  H      -1.336340      1.656231      0.820088
  H      -1.892854      0.139434     -0.107534
  H      -1.807218      0.351699      4.088541
  H      -0.906038      1.581557      3.161158
  H      -0.142868      0.033163      3.589175
  H      -1.392605     -2.064973      2.839437
  H      -1.550567     -2.037727      1.077577
  H      -4.210108     -0.399666      0.822503
  H      -5.298744     -1.791115      1.044298
  H      -3.863161     -1.925343     -0.005066
  H      -5.056746     -1.410235      3.522942
  H      -3.422153     -1.352128      4.273481
  H      -3.953547     -0.085279      3.145063
  H      -7.586469     -8.338677      4.937048
  H      -7.177676     -8.203998      6.749916
  H      -8.584704     -5.001720      7.192166
  H      -6.838920     -4.803923      6.974788
  H      -7.450934     -6.179667      7.918167
  H      -8.453400     -6.552998      3.799180
  H      -9.177984     -5.229338      4.710330
  H      -8.080666     -5.291233      1.790905
  H      -7.296167     -3.688496      1.861523
  H      -8.922120     -3.933262      2.552859
  H      -8.365005     -3.082377      4.721292
  H      -6.829659     -3.448758      5.526062
  H      -6.840111     -2.585906      3.978039
  H      -4.562738     -4.430505      8.956118
  H      -2.863169     -3.681737      8.804872
  H      -4.519514     -6.477101      6.288431
  H      -3.693419     -7.544502      7.428578
  H      -5.057624     -6.532051      7.976260
  H      -1.100128     -5.095295      7.812474
  H      -1.534211     -6.601046      7.001260
  H       0.143373     -6.209298      5.294127
  H       0.571209     -4.680206      6.066642
  H       0.138313     -4.695663      4.345171
  H      -2.514926     -2.975412      6.424647
  H      -0.748053     -2.988770      6.476908
  H      -1.591467     -2.817621      4.918346
  N      -4.532434     -3.319955      5.384195
  H      -4.827450     -2.342288      5.385298
  H      -4.493480     -3.669427      6.353514
86
Coordinates from ORCA-job orca E -5421.856173483950
  N      -3.564672     -3.404924      2.363827
  C      -3.255278     -4.139703      1.120828
  C      -2.753746     -5.535250      1.426046
  N      -3.665647     -6.143635      2.417088
  C      -4.935631     -6.598228      1.809811
  C      -5.975360     -6.599926      2.900344
  N      -5.923433     -5.310227      3.607228
  Mo     -4.113246     -4.485055      3.917153
  N      -2.509542     -5.381903      4.696774
  C      -2.033003     -6.646590      4.134856
  C      -3.056804     -7.237848      3.203588
  H      -1.816823     -7.375016      4.934921
  H      -1.086108     -6.489713      3.593353
  H      -3.862070     -7.712284      3.780495
  H      -2.608999     -8.003212      2.547741
  H      -6.956277     -6.772429      2.442053
  H      -5.826027     -7.432522      3.608355
  H      -5.229432     -5.877134      1.035135
  H      -4.804941     -7.587899      1.339046
  H      -2.479288     -3.623920      0.536762
  H      -4.148399     -4.182904      0.471829
  H      -1.751924     -5.470921      1.872478
  H      -2.689258     -6.154651      0.514826
  C      -1.619085      0.596615      0.847480
  C      -1.572599     -0.110599      1.985386
  C      -1.082609      0.495811      3.272826
  C      -1.938619     -1.580121      2.011151
  C      -3.455081     -1.920609      2.185795
  C      -4.281829     -1.478758      0.966892
  C      -3.995343     -1.167555      3.398428
  C      -7.491427     -7.641997      5.890405
  C      -7.768397     -6.332589      5.813263
  C      -7.730725     -5.457663      7.033589
  C      -8.233728     -5.735844      4.505091
  C      -7.298734     -4.719113      3.769863
  C      -7.900967     -4.440686      2.369409
  C      -7.316680     -3.374591      4.498461
  C      -3.540675     -4.508143      8.521906
  C      -3.187153     -5.488651      7.673831
  C      -4.154492     -6.577775      7.300076
  C      -1.793358     -5.563559      7.093032
  C      -1.539722     -4.846801      5.727778
  C      -0.076240     -5.128291      5.319190
  C      -1.621684     -3.324697      5.908766
  H      -1.346193      1.652577      0.824813
  H      -1.923072      0.139822     -0.097103
  H      -1.801952      0.358931      4.095107
  H      -0.882743      1.569925      3.160277
  H      -0.145144      0.009779      3.590814
  H      -1.402669     -2.071757      2.837643
  H      -1.581624     -2.036708      1.076962
  H      -4.240938     -0.386998      0.871719
  H      -5.331330     -1.776476      1.098942
  H      -3.913706     -1.906409      0.025651
  H      -5.052880     -1.410538      3.569954
  H      -3.410442     -1.376681      4.303218
  H      -3.943207     -0.090136      3.195852
  H      -7.555424     -8.293670      5.016911
  H      -7.204669     -8.105808      6.836905
  H      -8.687922     -4.922459      7.150197
  H      -6.942506     -4.689932      6.965949
  H      -7.547629     -6.047985      7.941072
  H      -8.449977     -6.565024      3.814997
  H      -9.188116     -5.205078      4.662292
  H      -8.043170     -5.350567      1.768298
  H      -7.249886     -3.749989      1.811491
  H      -8.886885     -3.967951      2.482523
  H      -8.356648     -3.055246      4.626624
  H      -6.846250     -3.424598      5.479393
  H      -6.805239     -2.601750      3.909778
  H      -4.538541     -4.477513      8.965793
  H      -2.837267     -3.730417      8.825358
  H      -4.495824     -6.473926      6.258249
  H      -3.678523     -7.566675      7.381456
  H      -5.041528     -6.558740      7.942597
  H      -1.076393     -5.129190      7.804975
  H      -1.517015     -6.623734      6.975734
  H       0.171986     -6.195507      5.280400
  H       0.583165     -4.667155      6.064981
  H       0.150937     -4.675215      4.343080
  H      -2.522251     -2.996442      6.430197
  H      -0.755931     -2.996388      6.499637
  H      -1.584701     -2.820360      4.933708
  N      -4.539955     -3.345337      5.399308
  H      -4.849255     -2.372603      5.405840
  H      -4.487203     -3.694467      6.367630
86
Coordinates from ORCA-job orca E -5421.856479368834
  N      -3.581175     -3.400971      2.366091
  C      -3.285507     -4.134138      1.121327
  C      -2.771055     -5.526694      1.422787
  N      -3.671518     -6.143332      2.418317
  C      -4.938065     -6.611347      1.821400
  C      -5.972690     -6.609977      2.917802
  N      -5.926027     -5.313389      3.609936
  Mo     -4.121788     -4.486178      3.919207
  N      -2.511585     -5.370871      4.694229
  C      -2.025122     -6.629673      4.128282
  C      -3.045951     -7.230383      3.198845
  H      -1.796436     -7.358839      4.924103
  H      -1.081760     -6.461357      3.583752
  H      -3.841593     -7.719982      3.775480
  H      -2.588976     -7.985843      2.537232
  H      -6.952162     -6.794712      2.463640
  H      -5.817257     -7.434576      3.631815
  H      -5.240249     -5.901182      1.041197
  H      -4.804522     -7.604255      1.357872
  H      -2.522407     -3.614901      0.524366
  H      -4.188162     -4.186398      0.486227
  H      -1.768563     -5.456043      1.864952
  H      -2.705797     -6.144193      0.510720
  C      -1.602866      0.592674      0.858809
  C      -1.555286     -0.123980      1.990362
  C      -1.050570      0.466467      3.278784
  C      -1.937566     -1.589392      2.008664
  C      -3.458288     -1.917034      2.190670
  C      -4.286068     -1.465906      0.976781
  C      -3.987377     -1.161114      3.406372
  C      -7.491818     -7.646461      5.893920
  C      -7.765719     -6.336430      5.813436
  C      -7.705715     -5.454612      7.032375
  C      -8.238515     -5.740360      4.504608
  C      -7.303518     -4.725852      3.763143
  C      -7.896624     -4.460288      2.358302
  C      -7.331373     -3.373250      4.476027
  C      -3.546660     -4.509260      8.521728
  C      -3.191185     -5.485120      7.668693
  C      -4.155301     -6.574110      7.287103
  C      -1.796908     -5.556194      7.089792
  C      -1.545833     -4.834191      5.727773
  C      -0.081401     -5.110530      5.318306
  C      -1.633650     -3.312680      5.913297
  H      -1.317149      1.645694      0.841648
  H      -1.917707      0.147704     -0.086849
  H      -1.769335      0.338650      4.102736
  H      -0.830810      1.537501      3.171858
  H      -0.122346     -0.041865      3.590840
  H      -1.403805     -2.093142      2.829314
  H      -1.592305     -2.045651      1.070273
  H      -4.241411     -0.373190      0.889257
  H      -5.336847     -1.762367      1.108295
  H      -3.920781     -1.888145      0.032083
  H      -5.048239     -1.393914      3.576709
  H      -3.405060     -1.382918      4.308269
  H      -3.919677     -0.083593      3.211875
  H      -7.573222     -8.303889      5.025747
  H      -7.197689     -8.106640      6.838495
  H      -8.651563     -4.903225      7.156825
  H      -6.907500     -4.698503      6.956601
  H      -7.523081     -6.044101      7.941955
  H      -8.461842     -6.571176      3.818519
  H      -9.189265     -5.205643      4.668972
  H      -8.035919     -5.373289      1.763372
  H      -7.240007     -3.774504      1.801936
  H      -8.882764     -3.985061      2.460446
  H      -8.374768     -3.058549      4.588845
  H      -6.874970     -3.408811      5.462464
  H      -6.813562     -2.604614      3.885120
  H      -4.543639     -4.481482      8.967742
  H      -2.843527     -3.732292      8.828074
  H      -4.495751     -6.466479      6.245096
  H      -3.677615     -7.562962      7.365458
  H      -5.044821     -6.561517      7.928006
  H      -1.079658     -5.122120      7.802137
  H      -1.518976     -6.615835      6.969552
  H       0.170741     -6.177566      5.286731
  H       0.578543     -4.641173      6.058886
  H       0.141772     -4.664104      4.338214
  H      -2.536853     -2.989117      6.431404
  H      -0.771746     -2.982023      6.507169
  H      -1.591837     -2.806149      4.940415
  N      -4.554499     -3.351490      5.403288
  H      -4.863864     -2.378470      5.407824
  H      -4.499612     -3.697032      6.372249
86
Coordinates from ORCA-job orca E -5421.856779118350
  N      -3.611962     -3.393653      2.375888
  C      -3.346732     -4.120363      1.123104
  C      -2.802637     -5.505816      1.409709
  N      -3.676319     -6.143134      2.416090
  C      -4.938126     -6.639724      1.838098
  C      -5.961851     -6.637269      2.947032
  N      -5.928288     -5.328069      3.613860
  Mo     -4.135038     -4.494273      3.925597
  N      -2.509948     -5.356333      4.689386
  C      -2.000791     -6.600426      4.109073
  C      -3.014260     -7.217971      3.181149
  H      -1.745839     -7.332411      4.894421
  H      -1.065518     -6.405821      3.558243
  H      -3.789589     -7.739594      3.756914
  H      -2.539904     -7.950997      2.505646
  H      -6.942069     -6.848540      2.505924
  H      -5.786021     -7.446941      3.672215
  H      -5.258931     -5.948360      1.049359
  H      -4.795818     -7.637318      1.386832
  H      -2.610669     -3.590827      0.502508
  H      -4.268444     -4.188055      0.517066
  H      -1.796327     -5.420515      1.838589
  H      -2.739711     -6.118367      0.494390
  C      -1.587812      0.580361      0.868266
  C      -1.535753     -0.145814      1.993342
  C      -1.008342      0.426695      3.280176
  C      -1.940009     -1.604519      2.007214
  C      -3.465971     -1.909786      2.207426
  C      -4.299590     -1.440935      1.004832
  C      -3.968764     -1.148723      3.431168
  C      -7.516459     -7.630304      5.922832
  C      -7.763176     -6.315039      5.818806
  C      -7.658957     -5.411010      7.020081
  C      -8.244956     -5.735501      4.506093
  C      -7.307168     -4.740416      3.743549
  C      -7.885053     -4.508593      2.329614
  C      -7.339216     -3.370143      4.419143
  C      -3.556204     -4.541926      8.534302
  C      -3.195171     -5.499989      7.664738
  C      -4.152926     -6.584709      7.260401
  C      -1.800603     -5.555740      7.087037
  C      -1.554591     -4.818658      5.732710
  C      -0.086192     -5.073894      5.325183
  C      -1.661384     -3.301157      5.932814
  H      -1.285951      1.629197      0.855124
  H      -1.920537      0.148958     -0.077135
  H      -1.726024      0.319699      4.107061
  H      -0.756440      1.490187      3.176089
  H      -0.097843     -0.114817      3.586928
  H      -1.406711     -2.123644      2.818895
  H      -1.616421     -2.063797      1.062685
  H      -4.245704     -0.346771      0.928829
  H      -5.352920     -1.731599      1.141014
  H      -3.944866     -1.856832      0.052560
  H      -5.033289     -1.363400      3.606180
  H      -3.386804     -1.390252      4.327311
  H      -3.875504     -0.071405      3.247205
  H      -7.637134     -8.304939      5.072075
  H      -7.223070     -8.083154      6.872731
  H      -8.575438     -4.814334      7.142162
  H      -6.827908     -4.693010      6.925519
  H      -7.496177     -5.989698      7.941656
  H      -8.482701     -6.574182      3.838062
  H      -9.188918     -5.190950      4.675634
  H      -8.020785     -5.432317      1.753783
  H      -7.218201     -3.838113      1.768988
  H      -8.870577     -4.027202      2.408538
  H      -8.384057     -3.049837      4.499204
  H      -6.907293     -3.377633      5.419353
  H      -6.801776     -2.624221      3.819649
  H      -4.552152     -4.525468      8.982250
  H      -2.856098     -3.768105      8.853019
  H      -4.490469     -6.460520      6.219645
  H      -3.671987     -7.572584      7.323876
  H      -5.046036     -6.589903      7.896713
  H      -1.085722     -5.122133      7.801978
  H      -1.515158     -6.612027      6.958445
  H       0.179830     -6.137966      5.302926
  H       0.568441     -4.589529      6.060710
  H       0.130496     -4.633086      4.340860
  H      -2.573194     -2.993570      6.444374
  H      -0.807771     -2.965854      6.537008
  H      -1.612743     -2.784249      4.964145
  N      -4.579089     -3.368609      5.412858
  H      -4.897833     -2.398055      5.414609
  H      -4.517953     -3.709602      6.382038
86
Coordinates from ORCA-job orca E -5421.856975299268
  N      -3.634353     -3.389480      2.384189
  C      -3.393703     -4.113059      1.125256
  C      -2.828959     -5.492996      1.399530
  N      -3.680271     -6.143250      2.416892
  C      -4.940097     -6.662812      1.854717
  C      -5.952259     -6.660441      2.975036
  N      -5.930777     -5.341384      3.620962
  Mo     -4.144542     -4.498890      3.932393
  N      -2.507663     -5.346688      4.685091
  C      -1.985028     -6.581935      4.097351
  C      -2.992631     -7.209843      3.170937
  H      -1.715696     -7.313399      4.878690
  H      -1.054827     -6.372679      3.542942
  H      -3.754185     -7.751732      3.746347
  H      -2.508084     -7.927962      2.486533
  H      -6.935028     -6.895585      2.551364
  H      -5.752416     -7.455704      3.709754
  H      -5.277855     -5.986099      1.060307
  H      -4.789073     -7.663706      1.414041
  H      -2.676690     -3.576633      0.488352
  H      -4.328872     -4.189577      0.541312
  H      -1.817695     -5.397059      1.814068
  H      -2.772781     -6.103593      0.482565
  C      -1.584276      0.576537      0.888511
  C      -1.525975     -0.162874      2.004396
  C      -0.975930      0.389854      3.290019
  C      -1.945790     -1.617036      2.008883
  C      -3.474523     -1.905833      2.222426
  C      -4.314044     -1.420777      1.030564
  C      -3.957928     -1.146725      3.454642
  C      -7.531378     -7.611555      5.940484
  C      -7.767025     -6.296460      5.819808
  C      -7.631819     -5.374570      7.004920
  C      -8.253904     -5.730249      4.502854
  C      -7.310281     -4.751950      3.725847
  C      -7.872762     -4.550516      2.302873
  C      -7.348455     -3.367925      4.372872
  C      -3.561169     -4.555488      8.537064
  C      -3.194555     -5.504974      7.659787
  C      -4.147384     -6.590169      7.241980
  C      -1.799280     -5.551104      7.083083
  C      -1.555896     -4.808062      5.731786
  C      -0.085762     -5.054819      5.324266
  C      -1.669693     -3.291777      5.938053
  H      -1.271331      1.622560      0.883230
  H      -1.933895      0.160210     -0.057145
  H      -1.690137      0.294371      4.120813
  H      -0.700532      1.447944      3.191367
  H      -0.077108     -0.175399      3.587561
  H      -1.410872     -2.150780      2.810174
  H      -1.638422     -2.072738      1.057460
  H      -4.254779     -0.326563      0.964598
  H      -5.368105     -1.706366      1.171387
  H      -3.968683     -1.830013      0.072477
  H      -5.025109     -1.344901      3.632687
  H      -3.378465     -1.406711      4.346622
  H      -3.846001     -0.070136      3.280165
  H      -7.669620     -8.295286      5.099447
  H      -7.228673     -8.053293      6.891410
  H      -8.527084     -4.745414      7.122151
  H      -6.778414     -4.685517      6.895279
  H      -7.482556     -5.941341      7.935463
  H      -8.503959     -6.575447      3.845750
  H      -9.192993     -5.176275      4.673867
  H      -7.995914     -5.484989      1.742333
  H      -7.201582     -3.886558      1.738714
  H      -8.862019     -4.073329      2.361057
  H      -8.393151     -3.038388      4.415963
  H      -6.949509     -3.358325      5.385989
  H      -6.786535     -2.637566      3.773320
  H      -4.558051     -4.545875      8.983358
  H      -2.864449     -3.780866      8.862749
  H      -4.483557     -6.453853      6.201887
  H      -3.662894     -7.577177      7.293984
  H      -5.042105     -6.608566      7.876267
  H      -1.086922     -5.114695      7.799079
  H      -1.507637     -6.605553      6.952706
  H       0.184908     -6.118122      5.304138
  H       0.567569     -4.565959      6.058342
  H       0.128142     -4.614834      4.338976
  H      -2.589449     -2.988734      6.436822
  H      -0.825907     -2.956235      6.554781
  H      -1.607595     -2.769842      4.973162
  N      -4.593227     -3.372797      5.418329
  H      -4.928881     -2.408182      5.417441
  H      -4.516754     -3.707394      6.388471
86
Coordinates from ORCA-job orca E -5421.857290096030
  N      -3.666331     -3.383286      2.396973
  C      -3.459508     -4.104790      1.129480
  C      -2.865442     -5.475838      1.385439
  N      -3.683965     -6.143170      2.420162
  C      -4.942274     -6.696291      1.880161
  C      -5.936597     -6.694715      3.017141
  N      -5.931098     -5.361791      3.632651
  Mo     -4.153550     -4.504827      3.942847
  N      -2.499818     -5.334563      4.680476
  C      -1.960271     -6.556992      4.080167
  C      -2.961818     -7.198649      3.159250
  H      -1.670975     -7.286634      4.856204
  H      -1.038992     -6.328742      3.518366
  H      -3.704956     -7.763307      3.737258
  H      -2.467983     -7.899532      2.464035
  H      -6.924119     -6.962445      2.622620
  H      -5.698654     -7.468184      3.764799
  H      -5.304464     -6.040076      1.078425
  H      -4.776782     -7.701660      1.456046
  H      -2.769914     -3.558251      0.470791
  H      -4.412356     -4.193085      0.576982
  H      -1.846563     -5.362415      1.777911
  H      -2.820207     -6.085797      0.467283
  C      -1.588547      0.569991      0.912980
  C      -1.523612     -0.184946      2.018756
  C      -0.952903      0.347117      3.304433
  C      -1.960059     -1.633909      2.014036
  C      -3.490764     -1.901041      2.243415
  C      -4.337507     -1.396707      1.064171
  C      -3.951910     -1.144890      3.485520
  C      -7.585673     -7.579896      5.965957
  C      -7.778908     -6.260498      5.817684
  C      -7.583349     -5.317493      6.975146
  C      -8.266518     -5.707977      4.497099
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  C      -7.848061     -4.610483      2.261615
  C      -7.342497     -3.359813      4.298791
  C      -3.561782     -4.586254      8.546167
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  C      -4.137039     -6.602676      7.215000
  C      -1.792555     -5.550299      7.078048
  C      -1.551517     -4.796546      5.731788
  C      -0.078693     -5.028322      5.325670
  C      -1.674628     -3.283349      5.950781
  H      -1.267057      1.613559      0.917813
  H      -1.955990      0.170858     -0.033708
  H      -1.665982      0.265305      4.137415
  H      -0.652670      1.397963      3.210608
  H      -0.068293     -0.241681      3.596868
  H      -1.423712     -2.183479      2.803857
  H      -1.670958     -2.086689      1.055056
  H      -4.269032     -0.302576      1.006570
  H      -5.392842     -1.672294      1.214935
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  H      -3.377970     -1.426671      4.374922
  H      -3.817661     -0.069545      3.319956
  H      -7.756403     -8.273654      5.139946
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  H      -8.433565     -4.626050      7.079009
  H      -6.685344     -4.692955      6.844485
  H      -7.468484     -5.866757      7.918905
  H      -8.543111     -6.558395      3.856150
  H      -9.193905     -5.133485      4.668131
  H      -7.951383     -5.563370      1.727786
  H      -7.171694     -3.957921      1.688538
  H      -8.842812     -4.141715      2.288607
  H      -8.381770     -3.009085      4.285519
  H      -6.990261     -3.324390      5.329608
  H      -6.741073     -2.660889      3.698368
  H      -4.560024     -4.587825      8.989737
  H      -2.869478     -3.813330      8.885994
  H      -4.471237     -6.445694      6.177669
  H      -3.648884     -7.588673      7.247707
  H      -5.033343     -6.640121      7.846643
  H      -1.084919     -5.111310      7.797662
  H      -1.491644     -6.601779      6.943018
  H       0.198760     -6.089578      5.298251
  H       0.570337     -4.541085      6.064575
  H       0.133402     -4.578889      4.344264
  H      -2.603301     -2.987686      6.437920
  H      -0.840603     -2.951106      6.582597
  H      -1.600494     -2.750587      4.992123
  N      -4.603289     -3.379914      5.432113
  H      -4.968611     -2.426520      5.434237
  H      -4.500519     -3.709853      6.401286
86
Coordinates from ORCA-job orca E -5421.857438431432
  N      -3.688460     -3.380242      2.407798
  C      -3.498694     -4.103618      1.135709
  C      -2.890779     -5.469862      1.381338
  N      -3.688552     -6.144541      2.429202
  C      -4.948419     -6.717994      1.903750
  C      -5.928832     -6.718126      3.053220
  N      -5.932831     -5.375254      3.646042
  Mo     -4.158081     -4.507327      3.953918
  N      -2.493164     -5.328136      4.681868
  C      -1.944948     -6.542647      4.072570
  C      -2.945508     -7.193835      3.159385
  H      -1.643910     -7.269470      4.846572
  H      -1.030704     -6.303772      3.503844
  H      -3.677753     -7.767458      3.742575
  H      -2.450435     -7.888003      2.458958
  H      -6.920580     -7.006604      2.683131
  H      -5.661783     -7.474614      3.809940
  H      -5.326665     -6.071629      1.100398
  H      -4.772685     -7.725152      1.488814
  H      -2.822909     -3.552441      0.466434
  H      -4.460392     -4.195828      0.600027
  H      -1.865988     -5.346548      1.757729
  H      -2.855386     -6.080868      0.463214
  C      -1.602174      0.567684      0.933415
  C      -1.531875     -0.197686      2.032041
  C      -0.948441      0.321908      3.317734
  C      -1.977477     -1.643631      2.020580
  C      -3.507154     -1.899291      2.258573
  C      -4.360412     -1.384109      1.088092
  C      -3.957333     -1.148633      3.507488
  C      -7.644027     -7.555489      5.969873
  C      -7.787004     -6.232132      5.805813
  C      -7.514497     -5.278420      6.937187
  C      -8.278892     -5.680286      4.488780
  C      -7.303963     -4.768180      3.674282
  C      -7.828073     -4.653658      2.225985
  C      -7.333705     -3.345984      4.236600
  C      -3.559641     -4.608783      8.553640
  C      -3.181340     -5.530900      7.652377
  C      -4.125039     -6.614416      7.200390
  C      -1.783697     -5.549267      7.077473
  C      -1.544205     -4.790096      5.733027
  C      -0.070564     -5.014715      5.326313
  C      -1.670270     -3.278059      5.958283
  H      -1.276694      1.609881      0.945385
  H      -1.981548      0.179358     -0.013642
  H      -1.661019      0.246936      4.152011
  H      -0.635351      1.368945      3.226020
  H      -0.070176     -0.276966      3.607492
  H      -1.439075     -2.202021      2.802592
  H      -1.698238     -2.092231      1.056541
  H      -4.286293     -0.290919      1.033944
  H      -5.415325     -1.651860      1.248494
  H      -4.042497     -1.789382      0.119270
  H      -5.027701     -1.315156      3.691325
  H      -3.385034     -1.440813      4.395655
  H      -3.816617     -0.073467      3.345004
  H      -7.853430     -8.251944      5.154334
  H      -7.331572     -7.984368      6.923940
  H      -8.310680     -4.525008      7.033642
  H      -6.574625     -4.728520      6.779949
  H      -7.428923     -5.812699      7.890569
  H      -8.585188     -6.528865      3.857408
  H      -9.191496     -5.083146      4.664710
  H      -7.907995     -5.622925      1.715612
  H      -7.155140     -4.005282      1.642571
  H      -8.830475     -4.200761      2.230390
  H      -8.362786     -2.972530      4.169527
  H      -7.025911     -3.292055      5.281398
  H      -6.694639     -2.675442      3.642603
  H      -4.559170     -4.620501      8.994381
  H      -2.872236     -3.835921      8.904268
  H      -4.459890     -6.442192      6.165497
  H      -3.631738     -7.598173      7.217773
  H      -5.019783     -6.666471      7.832846
  H      -1.081344     -5.107481      7.800559
  H      -1.475082     -6.598410      6.940159
  H       0.209025     -6.074561      5.284714
  H       0.575785     -4.536678      6.073261
  H       0.141802     -4.551021      4.351733
  H      -2.603395     -2.984761      6.439137
  H      -0.841470     -2.949870      6.599392
  H      -1.590196     -2.739298      5.003135
  N      -4.607310     -3.382554      5.447552
  H      -5.001288     -2.441007      5.456034
  H      -4.481614     -3.711659      6.414805
86
Coordinates from ORCA-job orca E -5421.857555396893
  N      -3.673058     -3.384885      2.398708
  C      -3.465242     -4.114605      1.131883
  C      -2.871765     -5.484151      1.391293
  N      -3.686303     -6.147374      2.433890
  C      -4.948756     -6.705366      1.896561
  C      -5.937651     -6.702980      3.038053
  N      -5.930867     -5.366234      3.645055
  Mo     -4.150641     -4.501426      3.948931
  N      -2.492402     -5.331464      4.685820
  C      -1.955503     -6.555605      4.086039
  C      -2.962282     -7.201872      3.175837
  H      -1.665432     -7.279585      4.866676
  H      -1.037509     -6.330717      3.517883
  H      -3.705837     -7.756345      3.763223
  H      -2.476718     -7.911557      2.484549
  H      -6.930522     -6.973376      2.657818
  H      -5.685581     -7.470102      3.789325
  H      -5.313215     -6.049347      1.094835
  H      -4.778615     -7.712115      1.478204
  H      -2.774298     -3.569570      0.473173
  H      -4.418082     -4.200043      0.579802
  H      -1.850022     -5.366920      1.777738
  H      -2.831613     -6.099730      0.476469
  C      -1.618600      0.584236      0.931975
  C      -1.539707     -0.187301      2.026188
  C      -0.959296      0.330427      3.314389
  C      -1.973584     -1.636876      2.008224
  C      -3.500792     -1.904296      2.242310
  C      -4.353921     -1.401618      1.065805
  C      -3.961595     -1.151185      3.486158
  C      -7.636424     -7.578711      5.942542
  C      -7.793573     -6.253880      5.799119
  C      -7.551719     -5.318685      6.951317
  C      -8.277425     -5.682929      4.487834
  C      -7.300412     -4.755973      3.690426
  C      -7.831490     -4.612573      2.245394
  C      -7.324624     -3.344918      4.281376
  C      -3.561729     -4.591522      8.546764
  C      -3.181531     -5.519537      7.652379
  C      -4.124301     -6.607465      7.210193
  C      -1.782006     -5.540089      7.081475
  C      -1.538888     -4.791604      5.731037
  C      -0.067069     -5.028321      5.325005
  C      -1.656302     -3.277025      5.945560
  H      -1.302649      1.629206      0.949984
  H      -1.995165      0.198169     -0.017481
  H      -1.664727      0.229156      4.152525
  H      -0.670582      1.385467      3.232119
  H      -0.064701     -0.250524      3.591368
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  H      -4.284480     -0.308278      1.002804
  H      -5.407839     -1.672404      1.227353
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  H      -3.386863     -1.430310      4.377296
  H      -3.833771     -0.075270      3.315710
  H      -7.826583     -8.266242      5.115098
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  H      -8.371715     -4.593140      7.059145
  H      -6.628765     -4.738369      6.808755
  H      -7.455902     -5.871642      7.892919
  H      -8.578322     -6.521182      3.841093
  H      -9.191853     -5.090216      4.664999
  H      -7.910263     -5.573387      1.717860
  H      -7.164235     -3.952017      1.669707
  H      -8.835084     -4.163447      2.263487
  H      -8.352887     -2.966484      4.228617
  H      -7.007461     -3.313304      5.325049
  H      -6.690051     -2.663629      3.696003
  H      -4.562462     -4.601600      8.985089
  H      -2.876015     -3.815916      8.894416
  H      -4.461400     -6.447503      6.174133
  H      -3.629541     -7.590329      7.237185
  H      -5.017774     -6.653246      7.845013
  H      -1.083676     -5.091765      7.804392
  H      -1.471049     -6.589717      6.952972
  H       0.205457     -6.089636      5.281280
  H       0.581467     -4.556568      6.073913
  H       0.149629     -4.563900      4.351736
  H      -2.581338     -2.976788      6.438716
  H      -0.817110     -2.947740      6.572688
  H      -1.590051     -2.745447      4.985555
  N      -4.589396     -3.372049      5.441938
  H      -4.978062     -2.428139      5.450579
  H      -4.468987     -3.704225      6.409018
86
Coordinates from ORCA-job orca E -5421.857639633611
  N      -3.680513     -3.385249      2.401405
  C      -3.477607     -4.115001      1.134304
  C      -2.880041     -5.483515      1.391347
  N      -3.686024     -6.149610      2.438367
  C      -4.948103     -6.713192      1.908076
  C      -5.933682     -6.709760      3.052766
  N      -5.927306     -5.370419      3.653182
  Mo     -4.147588     -4.503945      3.952846
  N      -2.484762     -5.328190      4.686436
  C      -1.943245     -6.546521      4.079938
  C      -2.952956     -7.199334      3.176551
  H      -1.643803     -7.271011      4.856315
  H      -1.030327     -6.313434      3.506666
  H      -3.689996     -7.755974      3.770104
  H      -2.468672     -7.908303      2.483604
  H      -6.926134     -6.982612      2.675001
  H      -5.680549     -7.473620      3.806218
  H      -5.317507     -6.060682      1.106437
  H      -4.775553     -7.720376      1.491476
  H      -2.793706     -3.568801      0.469910
  H      -4.434590     -4.203691      0.589934
  H      -1.856888     -5.363348      1.771893
  H      -2.842142     -6.097322      0.475539
  C      -1.626222      0.584498      0.932008
  C      -1.542311     -0.190602      2.023677
  C      -0.953793      0.321489      3.310705
  C      -1.980208     -1.639053      2.003407
  C      -3.505513     -1.905294      2.245528
  C      -4.365361     -1.401613      1.074938
  C      -3.957647     -1.153009      3.493551
  C      -7.648598     -7.569629      5.944433
  C      -7.804827     -6.244733      5.797697
  C      -7.568409     -5.306998      6.950361
  C      -8.280692     -5.674020      4.482783
  C      -7.294017     -4.755809      3.686679
  C      -7.817231     -4.618109      2.237186
  C      -7.315507     -3.340323      4.267095
  C      -3.561347     -4.604506      8.545569
  C      -3.179128     -5.526446      7.645885
  C      -4.121264     -6.609365      7.193508
  C      -1.777722     -5.543421      7.080445
  C      -1.534184     -4.789032      5.733530
  C      -0.061140     -5.019858      5.328942
  C      -1.656249     -3.275527      5.952938
  H      -1.306377      1.628229      0.950604
  H      -2.009164      0.201986     -0.016663
  H      -1.652731      0.213825      4.154171
  H      -0.668207      1.377958      3.231276
  H      -0.055317     -0.258539      3.577130
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  H      -1.700910     -2.077337      1.034289
  H      -4.291425     -0.308229      1.010739
  H      -5.419113     -1.668628      1.245072
  H      -4.053232     -1.815642      0.107008
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  H      -3.377029     -1.433347      4.379967
  H      -3.830933     -0.076771      3.323625
  H      -7.832571     -8.261052      5.119253
  H      -7.350113     -8.006833      6.900219
  H      -8.392448     -4.586222      7.056043
  H      -6.647489     -4.722628      6.806914
  H      -7.471550     -5.859392      7.893246
  H      -8.583998     -6.512351      3.837743
  H      -9.190595     -5.073255      4.653196
  H      -7.893343     -5.581851      1.714891
  H      -7.147855     -3.960435      1.661809
  H      -8.820607     -4.168965      2.247611
  H      -8.340998     -2.955793      4.202565
  H      -7.004286     -3.304025      5.312736
  H      -6.672375     -2.667644      3.682445
  H      -4.563290     -4.617161      8.980837
  H      -2.876500     -3.832069      8.901299
  H      -4.456006     -6.443788      6.157646
  H      -3.626983     -7.592606      7.216458
  H      -5.016081     -6.657009      7.826001
  H      -1.082042     -5.098789      7.807878
  H      -1.466281     -6.592282      6.946552
  H       0.215298     -6.079602      5.276889
  H       0.583485     -4.552093      6.083517
  H       0.156934     -4.547129      4.359960
  H      -2.578113     -2.980196      6.454848
  H      -0.813261     -2.945330      6.574669
  H      -1.599585     -2.742292      4.993574
  N      -4.588201     -3.379374      5.450371
  H      -4.978323     -2.436225      5.461365
  H      -4.468652     -3.713074      6.416542
86
Coordinates from ORCA-job orca E -5421.857706141690
  N      -3.685013     -3.385778      2.404200
  C      -3.481085     -4.117061      1.138398
  C      -2.884230     -5.485884      1.396896
  N      -3.688234     -6.151293      2.445596
  C      -4.950860     -6.715095      1.917938
  C      -5.934139     -6.711164      3.064860
  N      -5.927415     -5.370515      3.662393
  Mo     -4.146850     -4.503228      3.958612
  N      -2.480534     -5.324912      4.689299
  C      -1.939147     -6.542548      4.081278
  C      -2.953369     -7.198654      3.184620
  H      -1.635258     -7.266304      4.856833
  H      -1.029457     -6.307664      3.503449
  H      -3.688682     -7.750839      3.784902
  H      -2.473140     -7.911686      2.492859
  H      -6.926852     -6.984448      2.688903
  H      -5.680782     -7.473190      3.819329
  H      -5.321536     -6.061910      1.117739
  H      -4.777935     -7.721914      1.500379
  H      -2.797872     -3.571391      0.473162
  H      -4.438918     -4.206092      0.595417
  H      -1.860178     -5.366328      1.775034
  H      -2.847713     -6.098830      0.480335
  C      -1.633946      0.585540      0.931712
  C      -1.544558     -0.191545      2.021744
  C      -0.950088      0.318058      3.306992
  C      -1.983635     -1.640000      2.000713
  C      -3.507743     -1.905889      2.246833
  C      -4.370685     -1.403098      1.078547
  C      -3.956312     -1.152554      3.495802
  C      -7.670174     -7.573084      5.931240
  C      -7.811029     -6.245744      5.790187
  C      -7.555938     -5.314022      6.944473
  C      -8.286079     -5.664854      4.480080
  C      -7.292098     -4.752300      3.685024
  C      -7.808646     -4.619702      2.232688
  C      -7.313847     -3.333875      4.258344
  C      -3.565717     -4.611846      8.543639
  C      -3.177321     -5.529716      7.642362
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  C      -1.773825     -5.539633      7.082721
  C      -1.530630     -4.785334      5.735800
  C      -0.057492     -5.016139      5.331251
  C      -1.653407     -3.271254      5.953081
  H      -1.312698      1.628772      0.950197
  H      -2.021122      0.204676     -0.015893
  H      -1.640615      0.199213      4.156119
  H      -0.674433      1.377678      3.230794
  H      -0.043751     -0.255530      3.561604
  H      -1.436605     -2.199449      2.775929
  H      -1.706655     -2.076015      1.029635
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  H      -4.063880     -1.819453      0.110265
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  H      -3.373100     -1.432401      4.379834
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  H      -6.628624     -4.740949      6.794453
  H      -7.459016     -5.870749      7.885035
  H      -8.599012     -6.496973      3.832711
  H      -9.188674     -5.055075      4.655228
  H      -7.873888     -5.584927      1.712296
  H      -7.143532     -3.956608      1.659243
  H      -8.815972     -4.179693      2.238183
  H      -8.336316     -2.943043      4.177282
  H      -7.014707     -3.295353      5.307295
  H      -6.659285     -2.667374      3.678681
  H      -4.569036     -4.630391      8.975641
  H      -2.885338     -3.837883      8.904517
  H      -4.451175     -6.446931      6.149922
  H      -3.615396     -7.595220      7.204230
  H      -5.007951     -6.666942      7.819173
  H      -1.083203     -5.091867      7.812915
  H      -1.457046     -6.586960      6.949430
  H       0.219641     -6.075460      5.275042
  H       0.585885     -4.550951      6.088595
  H       0.162118     -4.539793      4.364360
  H      -2.572265     -2.976274      6.459700
  H      -0.807842     -2.938347      6.569215
  H      -1.602759     -2.741105      4.992282
  N      -4.587641     -3.377922      5.456031
  H      -4.981158     -2.436098      5.465368
  H      -4.467937     -3.709948      6.422687
86
Coordinates from ORCA-job orca E -5421.857754399100
  N      -3.690111     -3.385844      2.407461
  C      -3.486890     -4.118310      1.142700
  C      -2.888729     -5.486803      1.401784
  N      -3.690318     -6.152284      2.451763
  C      -4.953277     -6.716860      1.927314
  C      -5.934015     -6.712295      3.076739
  N      -5.927675     -5.370490      3.671736
  Mo     -4.147084     -4.502341      3.965110
  N      -2.476692     -5.320824      4.691031
  C      -1.935266     -6.538333      4.082452
  C      -2.953494     -7.196961      3.191936
  H      -1.626589     -7.261227      4.857009
  H      -1.028471     -6.302182      3.500281
  H      -3.686813     -7.744639      3.798787
  H      -2.477028     -7.913831      2.501322
  H      -6.927126     -6.987288      2.703040
  H      -5.679504     -7.472250      3.832275
  H      -5.325925     -6.063584      1.128255
  H      -4.780552     -7.723301      1.508705
  H      -2.805213     -3.572639      0.476048
  H      -4.445812     -4.208935      0.601721
  H      -1.863761     -5.367380      1.777132
  H      -2.853706     -6.098811      0.484433
  C      -1.637193      0.583253      0.929388
  C      -1.544969     -0.193494      2.019253
  C      -0.944838      0.315425      3.301743
  C      -1.985578     -1.641856      1.999501
  C      -3.509792     -1.905668      2.248035
  C      -4.373495     -1.403939      1.079998
  C      -3.956256     -1.149296      3.496063
  C      -7.688566     -7.577730      5.918536
  C      -7.815872     -6.248989      5.783621
  C      -7.541539     -5.323264      6.938622
  C      -8.291138     -5.658288      4.478515
  C      -7.291233     -4.749644      3.685125
  C      -7.800486     -4.619245      2.230479
  C      -7.312931     -3.330172      4.256086
  C      -3.573942     -4.619738      8.540754
  C      -3.178010     -5.533200      7.637975
  C      -4.109293     -6.620484      7.175062
  C      -1.772150     -5.535456      7.084862
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  H      -1.314343      1.626043      0.946462
  H      -2.026761      0.202428     -0.016856
  H      -1.626800      0.186488      4.156399
  H      -0.678802      1.378157      3.228001
  H      -0.030949     -0.252222      3.544966
  H      -1.438027     -2.201292      2.774424
  H      -1.709938     -2.077743      1.028134
  H      -4.291706     -0.311592      1.009553
  H      -5.427970     -1.662530      1.257368
  H      -4.070129     -1.823929      0.112325
  H      -5.023786     -1.325373      3.689335
  H      -3.372833     -1.428965      4.379722
  H      -3.828381     -0.073855      3.323368
  H      -7.898916     -8.262792      5.093782
  H      -7.390976     -8.026543      6.868592
  H      -8.349399     -4.587231      7.063420
  H      -6.611491     -4.757195      6.779793
  H      -7.438495     -5.884272      7.875939
  H      -8.613280     -6.484327      3.827841
  H      -9.187448     -5.040920      4.660235
  H      -7.856662     -5.584157      1.709118
  H      -7.138025     -3.950336      1.661366
  H      -8.811070     -4.186575      2.231365
  H      -8.332298     -2.933397      4.161023
  H      -7.024907     -3.291351      5.308765
  H      -6.647944     -2.668958      3.682144
  H      -4.578906     -4.644551      8.968679
  H      -2.898595     -3.843851      8.907098
  H      -4.447536     -6.450660      6.140015
  H      -3.604826     -7.598694      7.189117
  H      -5.001862     -6.679669      7.809295
  H      -1.086997     -5.083517      7.817646
  H      -1.449232     -6.581122      6.953211
  H       0.222474     -6.070859      5.277021
  H       0.587494     -4.546921      6.092940
  H       0.165832     -4.534281      4.368231
  H      -2.570002     -2.973007      6.464107
  H      -0.805490     -2.930761      6.565270
  H      -1.607075     -2.739485      4.991723
  N      -4.588336     -3.374726      5.460771
  H      -4.983082     -2.433246      5.466659
  H      -4.468111     -3.702996      6.428615
86
Coordinates from ORCA-job orca E -5421.857795423138
  N      -3.690663     -3.385152      2.409771
  C      -3.488465     -4.118138      1.145642
  C      -2.889620     -5.486540      1.404657
  N      -3.689917     -6.151819      2.455053
  C      -4.953530     -6.716035      1.933354
  C      -5.932173     -6.710974      3.084732
  N      -5.925871     -5.368863      3.679215
  Mo     -4.145240     -4.500691      3.970098
  N      -2.472591     -5.318262      4.691755
  C      -1.931879     -6.536257      4.083442
  C      -2.952993     -7.195087      3.196599
  H      -1.620548     -7.258778      4.857274
  H      -1.026375     -6.300320      3.498773
  H      -3.685677     -7.738315      3.808176
  H      -2.479861     -7.915438      2.507217
  H      -6.925867     -6.987120      2.712930
  H      -5.676645     -7.469999      3.840667
  H      -5.327800     -6.062139      1.135544
  H      -4.782240     -7.721987      1.513100
  H      -2.807051     -3.572601      0.478553
  H      -4.447594     -4.209590      0.605209
  H      -1.863891     -5.367876      1.777902
  H      -2.856214     -6.097849      0.486703
  C      -1.638143      0.578503      0.917999
  C      -1.546227     -0.192508      2.011841
  C      -0.946561      0.322621      3.291737
  C      -1.985199     -1.641670      1.998258
  C      -3.509465     -1.904500      2.248805
  C      -4.373942     -1.403953      1.081042
  C      -3.953806     -1.146205      3.496035
  C      -7.705604     -7.583031      5.911463
  C      -7.819479     -6.252720      5.780405
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  C      -8.292921     -5.654636      4.478565
  C      -7.289630     -4.746860      3.687878
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  C      -7.312904     -3.328324      4.260133
  C      -3.583777     -4.628437      8.537827
  C      -3.181185     -5.538086      7.634010
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  C      -1.773047     -5.534816      7.087041
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  H      -1.317028      1.621826      0.930434
  H      -2.025414      0.192285     -0.026810
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  H      -0.692859      1.388321      3.217474
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  H      -5.021232     -1.320808      3.690909
  H      -3.369587     -1.425441      4.379135
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  H      -7.924903     -8.263243      5.085322
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  H      -6.606483     -4.765883      6.771321
  H      -7.422730     -5.897885      7.870283
  H      -8.619549     -6.476132      3.824873
  H      -9.185976     -5.034117      4.664885
  H      -7.845141     -5.578844      1.708291
  H      -7.131981     -3.942266      1.668061
  H      -8.806006     -4.186686      2.230972
  H      -8.331301     -2.929841      4.158011
  H      -7.031826     -3.290440      5.314345
  H      -6.642517     -2.667680      3.690189
  H      -4.590434     -4.657768      8.961465
  H      -2.912415     -3.851536      8.909154
  H      -4.446132     -6.455203      6.130667
  H      -3.598961     -7.603641      7.175294
  H      -5.000132     -6.692494      7.798728
  H      -1.092410     -5.079876      7.822250
  H      -1.445783     -6.579415      6.957263
  H       0.223001     -6.071660      5.282085
  H       0.589623     -4.548129      6.098666
  H       0.170054     -4.534794      4.373544
  H      -2.567045     -2.971820      6.468870
  H      -0.802213     -2.928129      6.564519
  H      -1.607915     -2.739942      4.993960
  N      -4.587006     -3.370644      5.463539
  H      -4.980159     -2.428533      5.466374
  H      -4.468557     -3.696689      6.432544
86
Coordinates from ORCA-job orca E -5421.857837593908
  N      -3.690072     -3.384134      2.410969
  C      -3.490485     -4.117628      1.146974
  C      -2.889997     -5.485512      1.405058
  N      -3.688111     -6.150715      2.456499
  C      -4.953050     -6.714895      1.938537
  C      -5.929589     -6.709096      3.091809
  N      -5.922717     -5.366982      3.686670
  Mo     -4.142047     -4.498540      3.974449
  N      -2.467643     -5.315852      4.691164
  C      -1.927292     -6.533976      4.082818
  C      -2.950566     -7.192738      3.198942
  H      -1.613492     -7.256212      4.855811
  H      -1.022661     -6.298348      3.496284
  H      -3.682450     -7.732165      3.814758
  H      -2.480540     -7.916095      2.510579
  H      -6.924330     -6.986118      2.722484
  H      -5.672369     -7.467764      3.847952
  H      -5.329454     -6.060808      1.141617
  H      -4.783927     -7.720672      1.517098
  H      -2.809767     -3.572122      0.478964
  H      -4.449902     -4.210120      0.607386
  H      -1.863203     -5.366852      1.775552
  H      -2.858855     -6.096740      0.486825
  C      -1.635605      0.569699      0.902271
  C      -1.547585     -0.191400      2.002951
  C      -0.950996      0.334483      3.279728
  C      -1.984232     -1.641477      1.999211
  C      -3.509237     -1.902985      2.248761
  C      -4.372159     -1.403600      1.079319
  C      -3.954630     -1.143447      3.494369
  C      -7.720245     -7.586779      5.908239
  C      -7.822413     -6.255950      5.780593
  C      -7.530639     -5.341255      6.938172
  C      -8.292791     -5.651934      4.480204
  C      -7.287113     -4.743816      3.692983
  C      -7.786341     -4.609593      2.237183
  C      -7.310234     -3.327226      4.269433
  C      -3.596929     -4.640328      8.533978
  C      -3.187291     -5.545397      7.628646
  C      -4.108603     -6.636562      7.151501
  C      -1.776456     -5.536653      7.088831
  C      -1.525548     -4.780505      5.745094
  C      -0.050848     -5.011740      5.346708
  C      -1.650571     -3.266779      5.962394
  H      -1.317052      1.613993      0.907517
  H      -2.017980      0.174391     -0.040621
  H      -1.621505      0.189878      4.140704
  H      -0.710934      1.403306      3.202828
  H      -0.021225     -0.211673      3.513999
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  H      -4.284475     -0.312636      1.002361
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  H      -4.071440     -1.830050      0.114030
  H      -5.022177     -1.316713      3.688745
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  H      -3.823874     -0.068873      3.319580
  H      -7.945465     -8.261483      5.079076
  H      -7.426207     -8.046586      6.853525
  H      -8.341617     -4.612068      7.087590
  H      -6.609173     -4.764378      6.766198
  H      -7.402890     -5.910039      7.867768
  H      -8.621465     -6.470261      3.823079
  H      -9.184633     -5.030237      4.669735
  H      -7.836958     -5.570693      1.709033
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  H      -8.798832     -4.180437      2.233619
  H      -8.327849     -2.927455      4.165481
  H      -7.031828     -3.291493      5.324675
  H      -6.637393     -2.666673      3.702446
  H      -4.605574     -4.673823      8.952475
  H      -2.929257     -3.862996      8.911338
  H      -4.446361     -6.460449      6.117029
  H      -3.596450     -7.610830      7.157425
  H      -5.002291     -6.708385      7.782672
  H      -1.100808     -5.079541      7.827349
  H      -1.445264     -6.580218      6.960743
  H       0.223500     -6.071920      5.289097
  H       0.591045     -4.549714      6.107558
  H       0.174773     -4.534075      4.381792
  H      -2.565711     -2.973245      6.475958
  H      -0.800125     -2.928063      6.567327
  H      -1.609780     -2.739784      4.999483
  N      -4.584801     -3.365848      5.465607
  H      -4.973777     -2.422135      5.465853
  H      -4.470087     -3.690911      6.435572
86
Coordinates from ORCA-job orca E -5421.857864320128
  N      -3.687906     -3.382372      2.411100
  C      -3.492915     -4.116307      1.146589
  C      -2.891202     -5.483772      1.402968
  N      -3.686014     -6.148855      2.456771
  C      -4.952105     -6.714559      1.942913
  C      -5.926120     -6.707719      3.098231
  N      -5.919232     -5.364875      3.691559
  Mo     -4.138687     -4.495825      3.976523
  N      -2.464350     -5.314102      4.690770
  C      -1.923238     -6.531190      4.081350
  C      -2.946132     -7.190334      3.197781
  H      -1.608469     -7.253469      4.853802
  H      -1.018747     -6.294793      3.494875
  H      -3.676671     -7.730972      3.814037
  H      -2.476214     -7.912883      2.508650
  H      -6.921671     -6.986663      2.732615
  H      -5.665345     -7.464929      3.854953
  H      -5.331064     -6.062135      1.145688
  H      -4.784026     -7.721008      1.522732
  H      -2.813770     -3.571106      0.476552
  H      -4.453479     -4.208915      0.609312
  H      -1.863360     -5.364522      1.770519
  H      -2.862755     -6.095750      0.485188
  C      -1.632644      0.563411      0.888045
  C      -1.548533     -0.189939      1.994118
  C      -0.957099      0.344826      3.269745
  C      -1.983411     -1.640323      1.998341
  C      -3.508355     -1.901188      2.248609
  C      -4.372114     -1.401524      1.079990
  C      -3.952266     -1.142451      3.494944
  C      -7.732929     -7.588504      5.910512
  C      -7.823364     -6.256676      5.781726
  C      -7.528096     -5.344282      6.938791
  C      -8.290734     -5.650387      4.481033
  C      -7.284304     -4.741849      3.696220
  C      -7.780626     -4.607839      2.239718
  C      -7.308970     -3.325542      4.273004
  C      -3.605595     -4.650708      8.532851
  C      -3.192430     -5.552074      7.625606
  C      -4.111368     -6.643088      7.141977
  C      -1.779837     -5.540731      7.089887
  C      -1.524697     -4.781632      5.748468
  C      -0.049384     -5.013072      5.352631
  C      -1.649050     -3.268317      5.969662
  H      -1.316752      1.608458      0.888002
  H      -2.010756      0.160964     -0.053627
  H      -1.627778      0.199042      4.130322
  H      -0.723433      1.414657      3.189280
  H      -0.024143     -0.194341      3.507274
  H      -1.435899     -2.185959      2.782965
  H      -1.704891     -2.092500      1.035648
  H      -4.283748     -0.310747      1.002373
  H      -5.427888     -1.652123      1.259398
  H      -4.072831     -1.828962      0.114619
  H      -5.019466     -1.315318      3.690637
  H      -3.367917     -1.421130      4.379071
  H      -3.821353     -0.067694      3.320410
  H      -7.963189     -8.259655      5.080307
  H      -7.443496     -8.051992      6.856119
  H      -8.342016     -4.619532      7.094890
  H      -6.610998     -4.761759      6.762523
  H      -7.391838     -5.913836      7.866677
  H      -8.619387     -6.467871      3.822937
  H      -9.182929     -5.029467      4.670598
  H      -7.832313     -5.568879      1.711440
  H      -7.114100     -3.934000      1.680949
  H      -8.792167     -4.176476      2.233827
  H      -8.327426     -2.927850      4.169746
  H      -7.031280     -3.289245      5.328103
  H      -6.637065     -2.663382      3.706375
  H      -4.615374     -4.686280      8.948503
  H      -2.939319     -3.874378      8.914676
  H      -4.447713     -6.463192      6.107860
  H      -3.597852     -7.616661      7.144825
  H      -5.006436     -6.719724      7.770893
  H      -1.106738     -5.084115      7.831185
  H      -1.447425     -6.583927      6.961525
  H       0.223038     -6.073625      5.292530
  H       0.592339     -4.554435      6.115661
  H       0.178001     -4.532962      4.389380
  H      -2.564763     -2.975011      6.482697
  H      -0.798634     -2.931917      6.575820
  H      -1.607373     -2.738287      5.008493
  N      -4.582213     -3.361650      5.466621
  H      -4.968423     -2.416982      5.466938
  H      -4.470352     -3.688226      6.436546
86
Coordinates from ORCA-job orca E -5421.857886343266
  N      -3.685794     -3.380915      2.410417
  C      -3.494291     -4.115147      1.145375
  C      -2.891822     -5.482207      1.400577
  N      -3.684158     -6.147162      2.456668
  C      -4.951253     -6.714059      1.945478
  C      -5.923533     -6.706767      3.102257
  N      -5.916342     -5.363493      3.694870
  Mo     -4.135848     -4.493439      3.977339
  N      -2.462538     -5.313056      4.690807
  C      -1.920089     -6.528697      4.079815
  C      -2.941609     -7.188681      3.195324
  H      -1.605119     -7.251219      4.851963
  H      -1.015530     -6.290958      3.494099
  H      -3.670824     -7.732991      3.810030
  H      -2.470179     -7.908575      2.504529
  H      -6.919737     -6.986588      2.739230
  H      -5.659901     -7.463408      3.859004
  H      -5.331543     -6.063209      1.147447
  H      -4.783725     -7.721422      1.527115
  H      -2.816601     -3.570165      0.473592
  H      -4.455994     -4.207431      0.610135
  H      -1.863324     -5.361932      1.766549
  H      -2.864910     -6.095292      0.483426
  C      -1.630514      0.558406      0.876578
  C      -1.548777     -0.188882      1.986820
  C      -0.959938      0.352997      3.260983
  C      -1.982943     -1.639143      1.998010
  C      -3.507825     -1.899941      2.247916
  C      -4.372105     -1.399877      1.079905
  C      -3.951926     -1.142656      3.495009
  C      -7.740318     -7.587922      5.914467
  C      -7.823352     -6.256050      5.784583
  C      -7.525615     -5.343838      6.941448
  C      -8.288383     -5.649071      4.482758
  C      -7.281773     -4.740412      3.699399
  C      -7.777061     -4.606522      2.242043
  C      -7.306616     -3.323763      4.275592
  C      -3.614191     -4.660508      8.531151
  C      -3.197823     -5.558934      7.622578
  C      -4.114137     -6.650004      7.133363
  C      -1.783686     -5.544856      7.090868
  C      -1.524868     -4.782721      5.751697
  C      -0.048792     -5.012814      5.358495
  C      -1.649021     -3.269916      5.976606
  H      -1.315465      1.603809      0.871701
  H      -2.006937      0.150464     -0.063605
  H      -1.631209      0.208487      4.121219
  H      -0.728932      1.423056      3.176656
  H      -0.025722     -0.181908      3.501823
  H      -1.435889     -2.180805      2.785800
  H      -1.703962     -2.096911      1.038034
  H      -4.285316     -0.308990      1.003384
  H      -5.427395     -1.651919      1.259504
  H      -4.072789     -1.826225      0.114183
  H      -5.018854     -1.316420      3.691013
  H      -3.367025     -1.421207      4.379113
  H      -3.822507     -0.067522      3.321084
  H      -7.974437     -8.257252      5.083775
  H      -7.453050     -8.052312      6.860008
  H      -8.343035     -4.623954      7.102299
  H      -6.612963     -4.755041      6.761916
  H      -7.382043     -5.913727      7.868337
  H      -8.616362     -6.466796      3.824289
  H      -9.181586     -5.028829      4.671008
  H      -7.831433     -5.568533      1.715131
  H      -7.107165     -3.936489      1.682230
  H      -8.786969     -4.171311      2.234615
  H      -8.326071     -2.928432      4.175998
  H      -7.026068     -3.286240      5.330098
  H      -6.637984     -2.660413      3.707426
  H      -4.624784     -4.697836      8.944465
  H      -2.949269     -3.884728      8.916549
  H      -4.449508     -6.467184      6.099337
  H      -3.599095     -7.622746      7.134132
  H      -5.010320     -6.731245      7.760088
  H      -1.113427     -5.089024      7.835117
  H      -1.449942     -6.587502      6.961901
  H       0.223535     -6.073034      5.295585
  H       0.591570     -4.556955      6.124070
  H       0.179818     -4.529459      4.397189
  H      -2.565402     -2.977611      6.489118
  H      -0.798964     -2.936187      6.584991
  H      -1.606317     -2.736312      5.017134
  N      -4.580069     -3.359020      5.467474
  H      -4.964094     -2.413601      5.469282
  H      -4.471801     -3.688804      6.436590
86
Coordinates from ORCA-job orca E -5421.857902170563
  N      -3.685415     -3.379485      2.410038
  C      -3.496878     -4.114228      1.144723
  C      -2.893856     -5.480918      1.399496
  N      -3.683729     -6.145629      2.458096
  C      -4.951250     -6.714226      1.949144
  C      -5.921601     -6.706580      3.107584
  N      -5.914794     -5.362451      3.698296
  Mo     -4.134489     -4.490911      3.978331
  N      -2.461765     -5.311130      4.691485
  C      -1.917678     -6.525326      4.078970
  C      -2.937697     -7.186946      3.193791
  H      -1.602230     -7.247843      4.850929
  H      -1.013524     -6.285662      3.493668
  H      -3.664892     -7.736294      3.806319
  H      -2.463865     -7.903011      2.500698
  H      -6.918120     -6.987894      2.747100
  H      -5.654950     -7.461905      3.864553
  H      -5.332588     -6.065380      1.150092
  H      -4.783311     -7.722583      1.533179
  H      -2.821065     -3.569535      0.470866
  H      -4.460098     -4.206266      0.612116
  H      -1.864987     -5.359511      1.764163
  H      -2.867998     -6.095153      0.483175
  C      -1.630247      0.556817      0.870952
  C      -1.547959     -0.188897      1.982198
  C      -0.958848      0.354975      3.255568
  C      -1.982948     -1.638523      1.996524
  C      -3.507621     -1.898889      2.247156
  C      -4.373190     -1.398454      1.080266
  C      -3.950457     -1.141909      3.495248
  C      -7.746506     -7.587032      5.917450
  C      -7.823433     -6.254942      5.785959
  C      -7.522534     -5.342072      6.941678
  C      -8.287230     -5.647736      4.483593
  C      -7.280122     -4.739737      3.700896
  C      -7.774359     -4.608480      2.242329
  C      -7.306031     -3.321702      4.274071
  C      -3.620425     -4.668691      8.529533
  C      -3.201101     -5.564628      7.619790
  C      -4.114660     -6.656222      7.126579
  C      -1.785660     -5.547374      7.091418
  C      -1.524945     -4.782473      5.754170
  C      -0.048390     -5.011854      5.361935
  C      -1.648598     -3.269907      5.982248
  H      -1.314538      1.601922      0.864147
  H      -2.008025      0.147687     -0.068217
  H      -1.631385      0.213187      4.115394
  H      -0.726004      1.424530      3.168944
  H      -0.025500     -0.180434      3.498765
  H      -1.436212     -2.178574      2.785675
  H      -1.704836     -2.099165      1.037673
  H      -4.287821     -0.306979      1.004900
  H      -5.428146     -1.652141      1.261363
  H      -4.074586     -1.823788      0.113503
  H      -5.017288     -1.316040      3.692254
  H      -3.364800     -1.420676      4.378745
  H      -3.821871     -0.066480      3.321583
  H      -7.985297     -8.255752      5.087741
  H      -7.461477     -8.051917      6.863592
  H      -8.341075     -4.623753      7.104374
  H      -6.611537     -4.751773      6.759071
  H      -7.375966     -5.911484      7.868424
  H      -8.615439     -6.465622      3.825456
  H      -9.180616     -5.027287      4.670388
  H      -7.829282     -5.572451      1.718817
  H      -7.102630     -3.941987      1.680455
  H      -8.783388     -4.171552      2.232710
  H      -8.326528     -2.928780      4.176054
  H      -7.023868     -3.281626      5.328247
  H      -6.639996     -2.657729      3.704093
  H      -4.631595     -4.708145      8.941324
  H      -2.957058     -3.892873      8.917723
  H      -4.450307     -6.471340      6.092879
  H      -3.597543     -7.627927      7.125153
  H      -5.011194     -6.741858      7.752489
  H      -1.117971     -5.092048      7.838358
  H      -1.450118     -6.589347      6.961336
  H       0.224297     -6.071782      5.295858
  H       0.591055     -4.558430      6.129740
  H       0.180785     -4.525254      4.402405
  H      -2.566113     -2.978227      6.493101
  H      -0.800020     -2.938952      6.594275
  H      -1.602995     -2.733427      5.024533
  N      -4.579170     -3.356134      5.468363
  H      -4.963136     -2.410719      5.471544
  H      -4.472340     -3.688183      6.436769
86
Coordinates from ORCA-job orca E -5421.857914003999
  N      -3.685654     -3.378490      2.409666
  C      -3.497704     -4.113574      1.144495
  C      -2.894656     -5.479993      1.399951
  N      -3.683811     -6.144266      2.459831
  C      -4.951381     -6.713470      1.951437
  C      -5.920547     -6.706170      3.110945
  N      -5.914291     -5.361676      3.700873
  Mo     -4.134190     -4.488744      3.979080
  N      -2.461953     -5.309294      4.692531
  C      -1.916763     -6.522913      4.079474
  C      -2.935634     -7.185632      3.193437
  H      -1.601335     -7.245318      4.851562
  H      -1.012833     -6.281993      3.494480
  H      -3.661521     -7.739121      3.803748
  H      -2.459452     -7.898351      2.498438
  H      -6.917100     -6.988363      2.751568
  H      -5.652240     -7.460932      3.867721
  H      -5.332711     -6.065391      1.151918
  H      -4.782975     -7.722288      1.536638
  H      -2.822816     -3.569059      0.469675
  H      -4.461730     -4.205495      0.613171
  H      -1.865891     -5.357826      1.764666
  H      -2.868598     -6.095099      0.484262
  C      -1.631341      0.556482      0.867667
  C      -1.546341     -0.189191      1.978947
  C      -0.954243      0.354903      3.250865
  C      -1.982439     -1.638303      1.995376
  C      -3.507103     -1.898218      2.246200
  C      -4.373325     -1.397707      1.079833
  C      -3.949320     -1.140653      3.494380
  C      -7.749821     -7.586485      5.919624
  C      -7.823381     -6.254414      5.787625
  C      -7.519517     -5.340929      6.942720
  C      -8.286986     -5.646848      4.485397
  C      -7.279570     -4.739316      3.702486
  C      -7.774062     -4.609809      2.243301
  C      -7.306616     -3.320293      4.273511
  C      -3.627437     -4.675774      8.526192
  C      -3.203911     -5.569789      7.616462
  C      -4.113271     -6.663390      7.120728
  C      -1.787152     -5.548224      7.092054
  C      -1.525549     -4.781560      5.756116
  C      -0.048549     -5.009753      5.364582
  C      -1.649245     -3.269258      5.985855
  H      -1.313908      1.601055      0.859320
  H      -2.012179      0.147573     -0.070397
  H      -1.626537      0.215976      4.111364
  H      -0.718733      1.423701      3.162378
  H      -0.022121     -0.182453      3.494200
  H      -1.436355     -2.177312      2.785750
  H      -1.704690     -2.100748      1.037219
  H      -4.291317     -0.305970      1.007151
  H      -5.427383     -1.655003      1.260273
  H      -4.073327     -1.819705      0.112313
  H      -5.016212     -1.314898      3.691711
  H      -3.363379     -1.419444      4.377442
  H      -3.821148     -0.065272      3.320579
  H      -7.992459     -8.255130      5.090977
  H      -7.465296     -8.051164      6.865842
  H      -8.338428     -4.623326      7.106579
  H      -6.609248     -4.750260      6.757739
  H      -7.371293     -5.910350      7.869272
  H      -8.615712     -6.464542      3.827368
  H      -9.180152     -5.025717      4.671592
  H      -7.828880     -5.575335      1.722485
  H      -7.102175     -3.945167      1.679440
  H      -8.782892     -4.172433      2.233013
  H      -8.328000     -2.929477      4.177121
  H      -7.022560     -3.278233      5.327127
  H      -6.643192     -2.655554      3.701662
  H      -4.639215     -4.718130      8.936013
  H      -2.966858     -3.898802      8.916599
  H      -4.450397     -6.478038      6.087516
  H      -3.592636     -7.633180      7.117476
  H      -5.009281     -6.753624      7.746654
  H      -1.122805     -5.092236      7.841467
  H      -1.448628     -6.589154      6.961568
  H       0.225645     -6.069142      5.297025
  H       0.589466     -4.556798      6.133821
  H       0.181011     -4.521294      4.406084
  H      -2.567818     -2.978278      6.495073
  H      -0.802301     -2.939925      6.601240
  H      -1.600742     -2.731267      5.029020
  N      -4.579091     -3.353495      5.468699
  H      -4.963672     -2.408267      5.472529
  H      -4.473709     -3.687106      6.436584
86
Coordinates from ORCA-job orca E -5421.857922259349
  N      -3.687110     -3.377879      2.409350
  C      -3.498716     -4.113383      1.144563
  C      -2.895540     -5.479501      1.401249
  N      -3.684564     -6.143202      2.461747
  C      -4.951989     -6.712753      1.953523
  C      -5.920400     -6.705737      3.113688
  N      -5.914805     -5.360969      3.702926
  Mo     -4.134862     -4.486911      3.979771
  N      -2.462354     -5.307104      4.693198
  C      -1.916723     -6.520912      4.080473
  C      -2.935223     -7.184365      3.194406
  H      -1.600985     -7.242894      4.852755
  H      -1.013132     -6.279471      3.495218
  H      -3.660175     -7.739898      3.803782
  H      -2.457749     -7.895253      2.498363
  H      -6.916934     -6.988781      2.754872
  H      -5.651249     -7.459968      3.870504
  H      -5.333326     -6.064730      1.154108
  H      -4.783164     -7.721564      1.538873
  H      -2.824201     -3.568981      0.469378
  H      -4.463011     -4.205660      0.613698
  H      -1.866962     -5.356788      1.766092
  H      -2.869049     -6.095290      0.486090
  C      -1.632263      0.556912      0.868436
  C      -1.544600     -0.190331      1.978601
  C      -0.949870      0.351974      3.249888
  C      -1.981865     -1.639103      1.994894
  C      -3.506840     -1.897853      2.245128
  C      -4.372523     -1.397674      1.078078
  C      -3.948748     -1.138596      3.492592
  C      -7.750666     -7.586402      5.920556
  C      -7.823103     -6.254363      5.788454
  C      -7.516550     -5.340438      6.942690
  C      -8.287540     -5.646541      4.486904
  C      -7.279997     -4.739150      3.703391
  C      -7.774769     -4.611296      2.244049
  C      -7.308101     -3.319639      4.273304
  C      -3.632754     -4.679851      8.522139
  C      -3.205284     -5.573114      7.613254
  C      -4.110762     -6.669555      7.116686
  C      -1.787421     -5.547710      7.092027
  C      -1.525864     -4.779979      5.756864
  C      -0.048708     -5.007761      5.365101
  C      -1.649678     -3.267820      5.987551
  H      -1.313550      1.600987      0.860332
  H      -2.015727      0.149772     -0.069227
  H      -1.622387      0.215530      4.110705
  H      -0.711022      1.419997      3.160760
  H      -0.019428     -0.188673      3.493133
  H      -1.436907     -2.178167      2.785976
  H      -1.703735     -2.101785      1.036994
  H      -4.291747     -0.305458      1.006151
  H      -5.426592     -1.656547      1.257842
  H      -4.071086     -1.818713      0.110243
  H      -5.016008     -1.311766      3.689684
  H      -3.363378     -1.417597      4.375798
  H      -3.819408     -0.063504      3.318090
  H      -7.995662     -8.255232      5.092803
  H      -7.465410     -8.050733      6.866649
  H      -8.334885     -4.622196      7.107206
  H      -6.606027     -4.750904      6.755579
  H      -7.367578     -5.909790      7.869078
  H      -8.616903     -6.463881      3.828812
  H      -9.180175     -5.024778      4.673461
  H      -7.828549     -5.577711      1.724872
  H      -7.103938     -3.946617      1.679127
  H      -8.784032     -4.175018      2.233666
  H      -8.330019     -2.930047      4.177597
  H      -7.022947     -3.276403      5.326606
  H      -6.646238     -2.654491      3.700174
  H      -4.645151     -4.724763      8.930318
  H      -2.974910     -3.900947      8.913569
  H      -4.449994     -6.484785      6.083875
  H      -3.586473     -7.637446      7.111980
  H      -5.005792     -6.763424      7.743602
  H      -1.125732     -5.090590      7.843170
  H      -1.446085     -6.587755      6.961420
  H       0.226407     -6.066962      5.297043
  H       0.588721     -4.554557      6.134835
  H       0.181047     -4.518742      4.406912
  H      -2.569520     -2.977098      6.494507
  H      -0.804784     -2.939377      6.606218
  H      -1.597692     -2.729293      5.031264
  N      -4.580011     -3.350567      5.468325
  H      -4.965575     -2.405662      5.471699
  H      -4.474564     -3.683931      6.436319
86
Coordinates from ORCA-job orca E -5421.857929039190
  N      -3.688596     -3.377558      2.408617
  C      -3.499001     -4.113463      1.144343
  C      -2.895689     -5.479251      1.402483
  N      -3.685082     -6.142204      2.463035
  C      -4.952356     -6.711746      1.954728
  C      -5.920440     -6.704995      3.115106
  N      -5.915454     -5.360156      3.704078
  Mo     -4.135612     -4.485358      3.979826
  N      -2.462790     -5.304998      4.693555
  C      -1.917194     -6.519458      4.081741
  C      -2.935707     -7.183128      3.195848
  H      -1.601238     -7.240947      4.854307
  H      -1.013713     -6.278194      3.496183
  H      -3.660418     -7.738884      3.805184
  H      -2.457785     -7.893617      2.499660
  H      -6.916886     -6.988692      2.756389
  H      -5.651132     -7.458951      3.872055
  H      -5.333860     -6.063106      1.155945
  H      -4.783343     -7.720148      1.539275
  H      -2.824232     -3.569142      0.469405
  H      -4.462979     -4.206390      0.613014
  H      -1.867303     -5.356150      1.767531
  H      -2.868655     -6.095657      0.487775
  C      -1.632827      0.557340      0.870046
  C      -1.542889     -0.191510      1.979059
  C      -0.945217      0.348749      3.249645
  C      -1.981141     -1.640200      1.994700
  C      -3.506575     -1.897673      2.243731
  C      -4.371064     -1.397894      1.075508
  C      -3.948764     -1.136732      3.489969
  C      -7.749785     -7.586490      5.921871
  C      -7.822536     -6.254486      5.789685
  C      -7.514415     -5.340391      6.943323
  C      -8.288091     -5.646686      4.488775
  C      -7.280783     -4.738922      3.704398
  C      -7.776372     -4.611662      2.245449
  C      -7.309899     -3.319529      4.274489
  C      -3.638116     -4.683354      8.517557
  C      -3.206508     -5.576062      7.610070
  C      -4.107924     -6.675839      7.113431
  C      -1.787638     -5.546897      7.091783
  C      -1.526316     -4.778219      5.757188
  C      -0.049037     -5.005023      5.365323
  C      -1.650907     -3.266395      5.988684
  H      -1.313002      1.601095      0.862435
  H      -2.018550      0.152007     -0.067402
  H      -1.617678      0.215027      4.110906
  H      -0.702750      1.415871      3.160049
  H      -0.016792     -0.195540      3.492449
  H      -1.437416     -2.179566      2.786352
  H      -1.701991     -2.102643      1.037000
  H      -4.292345     -0.305646      1.004990
  H      -5.424834     -1.659034      1.252823
  H      -4.066837     -1.816920      0.107866
  H      -5.016352     -1.308578      3.686304
  H      -3.364273     -1.415846      4.373687
  H      -3.817814     -0.062089      3.314598
  H      -7.995379     -8.255710      5.094652
  H      -7.463413     -8.050291      6.867911
  H      -8.331852     -4.621215      7.108068
  H      -6.603301     -4.752221      6.754915
  H      -7.365292     -5.909690      7.869666
  H      -8.617609     -6.463793      3.830533
  H      -9.180350     -5.024717      4.676130
  H      -7.829576     -5.578181      1.726512
  H      -7.106984     -3.945882      1.680167
  H      -8.786185     -4.176581      2.235934
  H      -8.332255     -2.930958      4.179867
  H      -7.023576     -3.276032      5.327255
  H      -6.649478     -2.653612      3.700359
  H      -4.651085     -4.730970      8.924008
  H      -2.983249     -3.902414      8.909730
  H      -4.449346     -6.492473      6.081104
  H      -3.579720     -7.641575      7.107791
  H      -5.001794     -6.772949      7.741446
  H      -1.128392     -5.088557      7.844314
  H      -1.443609     -6.586043      6.961235
  H       0.227102     -6.064001      5.297638
  H       0.587778     -4.550842      6.135055
  H       0.180841     -4.516203      4.407047
  H      -2.572026     -2.976161      6.493574
  H      -0.807832     -2.938253      6.610148
  H      -1.596043     -2.727563      5.032648
  N      -4.580957     -3.347658      5.467047
  H      -4.967237     -2.402973      5.469478
  H      -4.475855     -3.680463      6.435324
86
Coordinates from ORCA-job orca E -5421.857933666163
  N      -3.689845     -3.377485      2.407622
  C      -3.499172     -4.113711      1.143749
  C      -2.895650     -5.479230      1.402944
  N      -3.685257     -6.141486      2.463498
  C      -4.952521     -6.710991      1.955295
  C      -5.920570     -6.704306      3.115597
  N      -5.915897     -5.359445      3.704462
  Mo     -4.135987     -4.484321      3.979348
  N      -2.462859     -5.303384      4.693473
  C      -1.917486     -6.518351      4.082355
  C      -2.936372     -7.182096      3.197095
  H      -1.601028     -7.239440      4.855025
  H      -1.014090     -6.277449      3.496390
  H      -3.661211     -7.736598      3.807393
  H      -2.458987     -7.893489      2.501468
  H      -6.916990     -6.988372      2.756815
  H      -5.651484     -7.458149      3.872835
  H      -5.334526     -6.061549      1.157334
  H      -4.783536     -7.718861      1.538676
  H      -2.823832     -3.569445      0.469332
  H      -4.462562     -4.207254      0.611532
  H      -1.867262     -5.355846      1.767863
  H      -2.868444     -6.096168      0.488563
  C      -1.632115      0.557222      0.871677
  C      -1.542047     -0.192572      1.980095
  C      -0.944301      0.346412      3.251079
  C      -1.980751     -1.641364      1.994764
  C      -3.506583     -1.897648      2.242369
  C      -4.369665     -1.398184      1.072888
  C      -3.949143     -1.135561      3.487621
  C      -7.747515     -7.585970      5.923675
  C      -7.821664     -6.254078      5.790971
  C      -7.512946     -5.339594      6.943961
  C      -8.288245     -5.646981      4.490192
  C      -7.281415     -4.738681      3.705083
  C      -7.777693     -4.611447      2.246649
  C      -7.310897     -3.319665      4.275945
  C      -3.642070     -4.685255      8.513496
  C      -3.207453     -5.578220      7.607628
  C      -4.105975     -6.680940      7.111528
  C      -1.787874     -5.546734      7.091225
  C      -1.526515     -4.777019      5.757168
  C      -0.049247     -5.003285      5.365111
  C      -1.651677     -3.265458      5.989759
  H      -1.312297      1.600974      0.864971
  H      -2.018013      0.152996     -0.066157
  H      -1.618161      0.215213      4.111601
  H      -0.698821      1.412693      3.161237
  H      -0.017950     -0.200694      3.495392
  H      -1.438120     -2.181067      2.786881
  H      -1.700271     -2.103455      1.037278
  H      -4.291107     -0.305840      1.002338
  H      -5.423740     -1.659669      1.248539
  H      -4.063664     -1.817207      0.105649
  H      -5.017009     -1.306109      3.683285
  H      -3.365483     -1.414819      4.371880
  H      -3.816475     -0.061287      3.311562
  H      -7.992284     -8.255954      5.096795
  H      -7.459863     -8.048883      6.869784
  H      -8.329423     -4.619344      7.108566
  H      -6.601223     -4.752585      6.754837
  H      -7.363833     -5.908453      7.870553
  H      -8.617342     -6.464348      3.832020
  H      -9.180523     -5.025308      4.678130
  H      -7.831119     -5.577602      1.727107
  H      -7.109183     -3.944636      1.681533
  H      -8.787777     -4.176915      2.238049
  H      -8.333477     -2.931555      4.182642
  H      -7.023294     -3.276513      5.328267
  H      -6.651507     -2.653262      3.701154
  H      -4.655483     -4.734522      8.918762
  H      -2.989274     -3.902472      8.905608
  H      -4.449001     -6.499156      6.079429
  H      -3.574801     -7.645080      7.105788
  H      -4.999000     -6.780092      7.740453
  H      -1.130019     -5.087837      7.844643
  H      -1.442365     -6.585374      6.960557
  H       0.226970     -6.062298      5.297595
  H       0.587620     -4.548768      6.134667
  H       0.180699     -4.514721      4.406713
  H      -2.573939     -2.975469      6.492712
  H      -0.810114     -2.937708      6.613480
  H      -1.594400     -2.726087      5.034167
  N      -4.581800     -3.345539      5.465401
  H      -4.968360     -2.400981      5.466964
  H      -4.476988     -3.677730      6.433999
86
Coordinates from ORCA-job orca E -5421.858546588246
  N      -3.711801     -3.369160      2.425015
  C      -3.523105     -4.097403      1.154248
  C      -2.915143     -5.465382      1.399533
  N      -3.701443     -6.141836      2.454953
  C      -4.965964     -6.716810      1.945530
  C      -5.929066     -6.720531      3.110219
  N      -5.933124     -5.372800      3.692640
  Mo     -4.159742     -4.489888      3.985600
  N      -2.482245     -5.309835      4.690144
  C      -1.932773     -6.519545      4.071352
  C      -2.951068     -7.183574      3.186039
  H      -1.609508     -7.241696      4.840283
  H      -1.032897     -6.271117      3.483384
  H      -3.675108     -7.739025      3.796729
  H      -2.474650     -7.893305      2.488163
  H      -6.925191     -7.012643      2.757255
  H      -5.649584     -7.469936      3.868299
  H      -5.354791     -6.067440      1.150650
  H      -4.790372     -7.722193      1.525467
  H      -2.849171     -3.546707      0.483362
  H      -4.486385     -4.188035      0.621189
  H      -1.886002     -5.343946      1.763302
  H      -2.888674     -6.073264      0.478857
  C      -1.589366      0.539714      0.913655
  C      -1.515563     -0.214423      2.019954
  C      -0.912350      0.310920      3.294474
  C      -1.977992     -1.655558      2.027919
  C      -3.506928     -1.890173      2.276736
  C      -4.360551     -1.368197      1.109780
  C      -3.939242     -1.131429      3.527841
  C      -7.737115     -7.536783      5.971188
  C      -7.856410     -6.213097      5.790204
  C      -7.609814     -5.251362      6.918666
  C      -8.307574     -5.663366      4.457853
  C      -7.303130     -4.759429      3.667841
  C      -7.780682     -4.660548      2.201110
  C      -7.351328     -3.332225      4.215561
  C      -3.601781     -4.678136      8.498310
  C      -3.142332     -5.590413      7.624755
  C      -3.991769     -6.761226      7.203849
  C      -1.736332     -5.517649      7.076872
  C      -1.524868     -4.760736      5.725831
  C      -0.055751     -4.972992      5.296990
  C      -1.660559     -3.247352      5.941489
  H      -1.253707      1.578494      0.911725
  H      -1.977929      0.143567     -0.026701
  H      -1.589805      0.187784      4.153253
  H      -0.648979      1.373254      3.209311
  H       0.004246     -0.251564      3.539117
  H      -1.441726     -2.208564      2.815231
  H      -1.706952     -2.117318      1.067593
  H      -4.260292     -0.277579      1.043401
  H      -5.419262     -1.608713      1.284365
  H      -4.063491     -1.789040      0.140896
  H      -5.009459     -1.286960      3.722169
  H      -3.359600     -1.423816      4.410942
  H      -3.791350     -0.057391      3.359377
  H      -7.930250     -8.242558      5.161292
  H      -7.456109     -7.956997      6.939093
  H      -8.454460     -4.554486      7.038150
  H      -6.714370     -4.638373      6.733691
  H      -7.464988     -5.783602      7.867853
  H      -8.607831     -6.507832      3.820403
  H      -9.216531     -5.055917      4.607077
  H      -7.817119     -5.634159      1.695156
  H      -7.112361     -3.995223      1.635232
  H      -8.794785     -4.237732      2.171582
  H      -8.376109     -2.954895      4.100720
  H      -7.081299     -3.269992      5.272268
  H      -6.690141     -2.669311      3.639609
  H      -4.603151     -4.756884      8.927438
  H      -2.980150     -3.847594      8.839187
  H      -4.343016     -6.659984      6.164350
  H      -3.415850     -7.698116      7.252318
  H      -4.878307     -6.865111      7.841514
  H      -1.080013     -5.021502      7.807595
  H      -1.355713     -6.545445      6.959696
  H       0.231649     -6.029100      5.234730
  H       0.596253     -4.502160      6.043430
  H       0.141670     -4.492540      4.327422
  H      -2.571119     -2.960282      6.468951
  H      -0.803816     -2.901566      6.534747
  H      -1.638473     -2.719276      4.977977
  N      -4.615679     -3.376917      5.488677
  H      -4.990430     -2.427238      5.503449
  H      -4.573524     -3.746739      6.448997
86
Coordinates from ORCA-job orca E -5421.858890269640
  N      -3.716953     -3.363652      2.414488
  C      -3.534903     -4.102695      1.147498
  C      -2.928824     -5.471682      1.398151
  N      -3.716530     -6.142636      2.456915
  C      -4.983822     -6.717952      1.952649
  C      -5.940445     -6.711065      3.123528
  N      -5.941315     -5.354760      3.686986
  Mo     -4.169964     -4.470950      3.981359
  N      -2.498365     -5.297841      4.690600
  C      -1.951838     -6.514619      4.081913
  C      -2.971438     -7.181128      3.199381
  H      -1.633003     -7.231012      4.858254
  H      -1.050250     -6.273613      3.494240
  H      -3.699711     -7.726372      3.814016
  H      -2.498278     -7.899950      2.508674
  H      -6.939487     -7.010139      2.785851
  H      -5.650697     -7.448625      3.889047
  H      -5.373890     -6.073761      1.154313
  H      -4.810068     -7.726796      1.539947
  H      -2.862503     -3.558037      0.470245
  H      -4.500004     -4.194991      0.618056
  H      -1.898330     -5.353147      1.758862
  H      -2.907025     -6.083047      0.479546
  C      -1.531029      0.514170      0.907414
  C      -1.485275     -0.230737      2.021392
  C      -0.901849      0.300545      3.302751
  C      -1.961312     -1.667156      2.032555
  C      -3.495176     -1.887876      2.263095
  C      -4.326775     -1.365509      1.079873
  C      -3.943670     -1.120647      3.503579
  C      -7.691276     -7.605112      5.896844
  C      -7.800767     -6.273177      5.775347
  C      -7.488417     -5.365435      6.931549
  C      -8.296372     -5.664704      4.483541
  C      -7.312127     -4.742458      3.690581
  C      -7.817522     -4.611758      2.235725
  C      -7.344366     -3.326291      4.267654
  C      -3.677520     -4.626379      8.436254
  C      -3.185527     -5.559935      7.604146
  C      -4.009170     -6.753730      7.199838
  C      -1.770022     -5.483945      7.081220
  C      -1.543777     -4.739975      5.725935
  C      -0.071121     -4.958698      5.311744
  C      -1.683513     -3.225268      5.926855
  H      -1.186366      1.549919      0.903209
  H      -1.904562      0.112553     -0.036744
  H      -1.597727      0.194370      4.148868
  H      -0.623833      1.358586      3.212665
  H       0.002476     -0.270175      3.572041
  H      -1.439245     -2.220144      2.829323
  H      -1.681777     -2.137648      1.079085
  H      -4.211791     -0.276991      1.004621
  H      -5.390533     -1.590575      1.242262
  H      -4.022391     -1.798602      0.118883
  H      -5.018527     -1.266938      3.679756
  H      -3.381850     -1.411651      4.398737
  H      -3.785222     -0.048203      3.332868
  H      -7.927763     -8.274644      5.067749
  H      -7.373460     -8.068647      6.833110
  H      -8.310146     -4.654256      7.112859
  H      -6.585342     -4.766703      6.737906
  H      -7.319111     -5.940843      7.851426
  H      -8.631343     -6.480968      3.827072
  H      -9.193029     -5.055505      4.688712
  H      -7.862062     -5.572556      1.707519
  H      -7.163109     -3.931037      1.672970
  H      -8.832897     -4.191870      2.235170
  H      -8.369952     -2.943914      4.177487
  H      -7.057518     -3.284820      5.320981
  H      -6.691669     -2.653947      3.692916
  H      -4.688460     -4.704436      8.842340
  H      -3.074817     -3.777283      8.765019
  H      -4.304645     -6.704526      6.139539
  H      -3.432188     -7.683622      7.320706
  H      -4.926916     -6.833344      7.796371
  H      -1.130939     -4.972145      7.816462
  H      -1.377537     -6.509220      6.983963
  H       0.215040     -6.015720      5.262472
  H       0.575010     -4.482633      6.059889
  H       0.136306     -4.486719      4.340067
  H      -2.603204     -2.936301      6.440437
  H      -0.834732     -2.872530      6.528176
  H      -1.649651     -2.704846      4.959826
  N      -4.626433     -3.355416      5.483047
  H      -4.958416     -2.389363      5.497460
  H      -4.649018     -3.744050      6.436740
86
Coordinates from ORCA-job orca E -5421.858935839309
  N      -3.721547     -3.362855      2.409748
  C      -3.555902     -4.115199      1.148331
  C      -2.940389     -5.478666      1.403488
  N      -3.714844     -6.144727      2.474537
  C      -4.983955     -6.730194      1.986520
  C      -5.935614     -6.705452      3.162483
  N      -5.935597     -5.339390      3.703508
  Mo     -4.166463     -4.451594      3.990567
  N      -2.495652     -5.276653      4.703410
  C      -1.938832     -6.488591      4.095492
  C      -2.957798     -7.169585      3.223722
  H      -1.610004     -7.197837      4.874625
  H      -1.042151     -6.241195      3.503465
  H      -3.679160     -7.711592      3.848799
  H      -2.485386     -7.894011      2.538533
  H      -6.936896     -7.010867      2.837582
  H      -5.639610     -7.429050      3.938237
  H      -5.379073     -6.099345      1.180121
  H      -4.810467     -7.745127      1.588621
  H      -2.895570     -3.575378      0.455506
  H      -4.527821     -4.217502      0.633804
  H      -1.906173     -5.354535      1.751428
  H      -2.927618     -6.096425      0.488921
  C      -1.527894      0.498272      0.860152
  C      -1.488569     -0.236327      1.980892
  C      -0.909393      0.305609      3.259938
  C      -1.966968     -1.671323      2.002029
  C      -3.498408     -1.889506      2.248638
  C      -4.339329     -1.369576      1.070465
  C      -3.940579     -1.121764      3.491187
  C      -7.767427     -7.564324      5.897499
  C      -7.847538     -6.230669      5.769364
  C      -7.542294     -5.328457      6.931105
  C      -8.311040     -5.619120      4.466261
  C      -7.303354     -4.718308      3.678193
  C      -7.780951     -4.606274      2.213398
  C      -7.328718     -3.292120      4.230777
  C      -3.640270     -4.791828      8.503982
  C      -3.131588     -5.669686      7.622956
  C      -3.921169     -6.869021      7.174068
  C      -1.729788     -5.523775      7.077563
  C      -1.551807     -4.717879      5.750191
  C      -0.077658     -4.866742      5.312026
  C      -1.749863     -3.219612      6.011838
  H      -1.182840      1.533782      0.848517
  H      -1.898304      0.087587     -0.081385
  H      -1.606482      0.203870      4.105656
  H      -0.633034      1.363588      3.163260
  H      -0.004005     -0.260872      3.535090
  H      -1.436209     -2.223261      2.793778
  H      -1.698930     -2.146389      1.047529
  H      -4.213154     -0.282722      0.982430
  H      -5.403825     -1.581009      1.248266
  H      -4.051885     -1.815757      0.109892
  H      -5.014013     -1.270799      3.675161
  H      -3.371977     -1.407559      4.384002
  H      -3.786813     -0.048865      3.317719
  H      -8.005125     -8.231887      5.066715
  H      -7.477473     -8.031929      6.840857
  H      -8.350558     -4.597299      7.092385
  H      -6.621438     -4.751380      6.759721
  H      -7.407397     -5.905896      7.855365
  H      -8.653194     -6.433914      3.811609
  H      -9.201726     -4.995487      4.654276
  H      -7.819850     -5.574082      1.697150
  H      -7.112843     -3.936236      1.653823
  H      -8.794410     -4.182444      2.187545
  H      -8.347245     -2.898468      4.109844
  H      -7.066854     -3.235457      5.289877
  H      -6.653976     -2.638305      3.660040
  H      -4.641668     -4.922191      8.920735
  H      -3.059663     -3.939822      8.863961
  H      -4.186634     -6.797869      6.106782
  H      -3.327246     -7.789652      7.286439
  H      -4.851795     -6.982859      7.744832
  H      -1.094720     -5.020928      7.822699
  H      -1.303211     -6.529244      6.930717
  H       0.243789     -5.910484      5.216403
  H       0.560656     -4.400180      6.072778
  H       0.101467     -4.347409      4.358965
  H      -2.676708     -2.991864      6.544490
  H      -0.908924     -2.854753      6.616784
  H      -1.749746     -2.660319      5.066881
  N      -4.617346     -3.319148      5.481667
  H      -4.895066     -2.336084      5.490399
  H      -4.642072     -3.697715      6.438754
86
Coordinates from ORCA-job orca E -5421.859300953640
  N      -3.746598     -3.361557      2.419034
  C      -3.576971     -4.101794      1.152967
  C      -2.942225     -5.456685      1.398921
  N      -3.702094     -6.138788      2.469173
  C      -4.966184     -6.732043      1.981649
  C      -5.911268     -6.727209      3.163127
  N      -5.926074     -5.366262      3.715668
  Mo     -4.166330     -4.458215      3.999225
  N      -2.485718     -5.277411      4.699202
  C      -1.912438     -6.473324      4.073167
  C      -2.922419     -7.160740      3.196611
  H      -1.565674     -7.185157      4.841532
  H      -1.024708     -6.200402      3.478440
  H      -3.627923     -7.731964      3.812225
  H      -2.435555     -7.859543      2.494692
  H      -6.911046     -7.041441      2.840717
  H      -5.604585     -7.453505      3.930700
  H      -5.368497     -6.094613      1.184933
  H      -4.783556     -7.740359      1.571606
  H      -2.929989     -3.547901      0.459189
  H      -4.552160     -4.214369      0.646785
  H      -1.908665     -5.320729      1.743072
  H      -2.924726     -6.068296      0.480508
  C      -1.567563      0.518754      0.900047
  C      -1.505080     -0.237829      2.006445
  C      -0.902140      0.279475      3.283534
  C      -1.988243     -1.671960      2.013811
  C      -3.517877     -1.887995      2.269221
  C      -4.369221     -1.354001      1.103979
  C      -3.947125     -1.128270      3.520816
  C      -7.829000     -7.544141      5.946843
  C      -7.879720     -6.214107      5.780571
  C      -7.568368     -5.282449      6.918541
  C      -8.319504     -5.631765      4.458740
  C      -7.295554     -4.752267      3.660701
  C      -7.755744     -4.686791      2.188263
  C      -7.337226     -3.312366      4.176011
  C      -3.596223     -4.731523      8.505243
  C      -3.127985     -5.626759      7.618794
  C      -3.967784     -6.790242      7.170932
  C      -1.722756     -5.533950      7.070020
  C      -1.528145     -4.733723      5.741978
  C      -0.062523     -4.925737      5.293471
  C      -1.677527     -3.232656      6.007589
  H      -1.214706      1.551622      0.898330
  H      -1.959788      0.129027     -0.041181
  H      -1.595348      0.187788      4.133485
  H      -0.603486      1.331338      3.191522
  H      -0.009077     -0.311343      3.548448
  H      -1.454829     -2.233659      2.796982
  H      -1.727074     -2.136510      1.051923
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  H      -5.018535     -1.280521      3.715409
  H      -3.366923     -1.420451      4.402893
  H      -3.795254     -0.055066      3.353981
  H      -8.078480     -8.231889      5.135637
  H      -7.560215     -7.987323      6.907604
  H      -8.365838     -4.534260      7.049964
  H      -6.636579     -4.727415      6.735137
  H      -7.451283     -5.835970      7.859197
  H      -8.658294     -6.458740      3.818055
  H      -9.207591     -4.996297      4.619080
  H      -7.776783     -5.672863      1.704993
  H      -7.089829     -4.025704      1.615074
  H      -8.774203     -4.275725      2.139333
  H      -8.358193     -2.931518      4.039047
  H      -7.081807     -3.225950      5.233764
  H      -6.666349     -2.666471      3.592037
  H      -4.600533     -4.821723      8.925924
  H      -2.978231     -3.908298      8.869334
  H      -4.224929     -6.715468      6.101170
  H      -3.416993     -7.736491      7.293735
  H      -4.904504     -6.852995      7.738475
  H      -1.067645     -5.057418      7.815108
  H      -1.333286     -6.553281      6.917144
  H       0.230649     -5.978136      5.198071
  H       0.591105     -4.473934      6.050903
  H       0.127616     -4.413617      4.338318
  H      -2.600619     -2.978155      6.531173
  H      -0.832923     -2.901050      6.627395
  H      -1.643026     -2.671438      5.064117
  N      -4.629351     -3.337914      5.494031
  H      -4.883901     -2.348896      5.513784
  H      -4.659414     -3.729076      6.444654
86
Coordinates from ORCA-job orca E -5421.859560466629
  N      -3.757738     -3.353530      2.422593
  C      -3.599574     -4.086896      1.150911
  C      -2.957975     -5.441569      1.381588
  N      -3.704083     -6.134259      2.454811
  C      -4.969120     -6.734341      1.977247
  C      -5.906017     -6.734013      3.165379
  N      -5.923297     -5.372655      3.715513
  Mo     -4.167405     -4.460583      3.998727
  N      -2.481343     -5.277129      4.685894
  C      -1.903207     -6.464576      4.047366
  C      -2.913761     -7.153976      3.173094
  H      -1.547185     -7.179636      4.808177
  H      -1.021481     -6.182189      3.448554
  H      -3.612855     -7.731555      3.790953
  H      -2.427861     -7.848404      2.466233
  H      -6.907092     -7.054606      2.853562
  H      -5.587320     -7.457056      3.932115
  H      -5.380676     -6.099901      1.182686
  H      -4.784878     -7.742252      1.566881
  H      -2.960946     -3.527243      0.453703
  H      -4.579308     -4.198933      0.653426
  H      -1.921433     -5.303797      1.716766
  H      -2.946821     -6.046742      0.458538
  C      -1.541178      0.495103      0.882488
  C      -1.484991     -0.257849      1.991140
  C      -0.868333      0.255691      3.263717
  C      -1.986724     -1.685131      2.003900
  C      -3.514915     -1.881221      2.279311
  C      -4.373432     -1.329988      1.127751
  C      -3.915068     -1.119725      3.539166
  C      -7.785426     -7.566839      5.940096
  C      -7.859875     -6.237175      5.778089
  C      -7.559033     -5.301237      6.915112
  C      -8.308964     -5.657264      4.459044
  C      -7.295370     -4.762247      3.670414
  C      -7.761122     -4.677229      2.200344
  C      -7.340123     -3.331810      4.210777
  C      -3.645844     -4.684296      8.465807
  C      -3.166393     -5.600481      7.607680
  C      -3.999104     -6.777551      7.181422
  C      -1.754113     -5.521231      7.074248
  C      -1.536991     -4.731950      5.742074
  C      -0.061372     -4.915446      5.322209
  C      -1.697877     -3.230450      5.996146
  H      -1.175884      1.523688      0.876037
  H      -1.943206      0.106381     -0.055241
  H      -1.554856      0.168610      4.119596
  H      -0.562798      1.305663      3.169547
  H       0.023303     -0.340501      3.520909
  H      -1.449636     -2.255690      2.778660
  H      -1.746750     -2.152420      1.037783
  H      -4.236765     -0.243365      1.058214
  H      -5.436202     -1.533699      1.323538
  H      -4.110041     -1.759380      0.153088
  H      -4.983852     -1.261796      3.751978
  H      -3.321243     -1.417222      4.410946
  H      -3.756211     -0.047250      3.371366
  H      -8.021840     -8.255522      5.125881
  H      -7.506311     -8.009420      6.898378
  H      -8.372476     -4.572266      7.056490
  H      -6.643132     -4.721727      6.723770
  H      -7.419069     -5.852916      7.853810
  H      -8.638052     -6.485318      3.814102
  H      -9.204433     -5.033372      4.623623
  H      -7.777942     -5.655206      1.701236
  H      -7.100753     -4.003796      1.635104
  H      -8.782121     -4.271676      2.160304
  H      -8.361579     -2.949841      4.078510
  H      -7.086271     -3.264495      5.271585
  H      -6.668117     -2.675122      3.640807
  H      -4.655454     -4.764630      8.875258
  H      -3.033452     -3.850620      8.815401
  H      -4.212984     -6.747721      6.100684
  H      -3.460309     -7.720665      7.366322
  H      -4.956790     -6.811204      7.715222
  H      -1.106508     -5.039261      7.822349
  H      -1.366600     -6.543748      6.937989
  H       0.242561     -5.965338      5.242510
  H       0.575002     -4.451513      6.086840
  H       0.141008     -4.410117      4.366052
  H      -2.630567     -2.977691      6.503428
  H      -0.864252     -2.891541      6.625917
  H      -1.651723     -2.673666      5.050001
  N      -4.628047     -3.358513      5.508351
  H      -4.879347     -2.369665      5.541015
  H      -4.662254     -3.762190      6.453364
86
Coordinates from ORCA-job orca E -5421.859592709749
  N      -3.758344     -3.362711      2.410382
  C      -3.610030     -4.103464      1.141534
  C      -2.970295     -5.458416      1.375661
  N      -3.711176     -6.143268      2.457933
  C      -4.981509     -6.743592      1.994091
  C      -5.910655     -6.729578      3.188810
  N      -5.922081     -5.362425      3.723512
  Mo     -4.163445     -4.456285      3.995975
  N      -2.478983     -5.277982      4.681603
  C      -1.903438     -6.466984      4.042339
  C      -2.917898     -7.160083      3.175651
  H      -1.543096     -7.179922      4.802872
  H      -1.025219     -6.185352      3.437683
  H      -3.614012     -7.736798      3.798140
  H      -2.434572     -7.856394      2.468741
  H      -6.914630     -7.053254      2.890072
  H      -5.585787     -7.443913      3.961743
  H      -5.395668     -6.114353      1.196772
  H      -4.803181     -7.755601      1.591308
  H      -2.977459     -3.548780      0.435299
  H      -4.594345     -4.217192      0.653338
  H      -1.931222     -5.320968      1.703531
  H      -2.966133     -6.068622      0.455704
  C      -1.523142      0.492159      0.909123
  C      -1.495367     -0.252064      2.024675
  C      -0.922768      0.276173      3.311815
  C      -1.985864     -1.683354      2.032310
  C      -3.520750     -1.890381      2.259621
  C      -4.348671     -1.356945      1.077596
  C      -3.967825     -1.121969      3.499568
  C      -7.785450     -7.552242      5.926746
  C      -7.860657     -6.221612      5.773497
  C      -7.557957     -5.292415      6.915655
  C      -8.308515     -5.632624      4.458086
  C      -7.288937     -4.741743      3.672912
  C      -7.753186     -4.651376      2.202496
  C      -7.322521     -3.311512      4.215660
  C      -3.624132     -4.710859      8.477504
  C      -3.146075     -5.618791      7.609882
  C      -3.972066     -6.802387      7.188443
  C      -1.738111     -5.529637      7.066882
  C      -1.531056     -4.734281      5.735993
  C      -0.056939     -4.913013      5.308786
  C      -1.691408     -3.232846      5.991292
  H      -1.165623      1.523513      0.905928
  H      -1.893232      0.093434     -0.037564
  H      -1.637257      0.195400      4.145096
  H      -0.617756      1.326307      3.217139
  H      -0.038497     -0.314220      3.604976
  H      -1.470012     -2.243301      2.829191
  H      -1.710094     -2.155496      1.078445
  H      -4.218478     -0.270058      1.001881
  H      -5.414904     -1.567692      1.243631
  H      -4.052889     -1.793232      0.115332
  H      -5.041543     -1.273092      3.679069
  H      -3.398994     -1.406007      4.392577
  H      -3.814105     -0.049346      3.327778
  H      -8.019475     -8.235681      5.107832
  H      -7.505210     -8.000633      6.882039
  H      -8.374267     -4.568485      7.066545
  H      -6.646303     -4.706654      6.722810
  H      -7.410353     -5.850094      7.849770
  H      -8.642795     -6.455520      3.809099
  H      -9.199730     -5.003572      4.625793
  H      -7.774445     -5.628445      1.702342
  H      -7.089893     -3.980134      1.638237
  H      -8.772241     -4.241082      2.162566
  H      -8.340478     -2.920553      4.082680
  H      -7.068584     -3.248128      5.276684
  H      -6.643616     -2.659291      3.648443
  H      -4.629529     -4.800702      8.895092
  H      -3.014663     -3.875067      8.826919
  H      -4.173728     -6.785961      6.105247
  H      -3.432254     -7.741513      7.389996
  H      -4.935019     -6.832426      7.712935
  H      -1.087004     -5.050118      7.813428
  H      -1.347855     -6.550106      6.923071
  H       0.250716     -5.961601      5.227510
  H       0.581343     -4.446655      6.070215
  H       0.139007     -4.406997      4.351813
  H      -2.626493     -2.979116      6.493215
  H      -0.861023     -2.896549      6.626608
  H      -1.637395     -2.675203      5.045558
  N      -4.618031     -3.341943      5.498028
  H      -4.857605     -2.349928      5.525494
  H      -4.678693     -3.746306      6.441691
86
Coordinates from ORCA-job orca E -5411.155927236458
  N      -3.778490     -3.354101      2.411280
  C      -3.629905     -4.093913      1.141981
  C      -2.980059     -5.444448      1.374729
  N      -3.710759     -6.133971      2.460070
  C      -4.977426     -6.745929      2.002053
  C      -5.903703     -6.734555      3.199044
  N      -5.926584     -5.365070      3.726597
  Mo     -4.175284     -4.446973      3.998464
  N      -2.485646     -5.257585      4.685200
  C      -1.898036     -6.439262      4.043410
  C      -2.906476     -7.141914      3.177487
  H      -1.528863     -7.149459      4.802245
  H      -1.023167     -6.147095      3.438326
  H      -3.596092     -7.724561      3.801643
  H      -2.417291     -7.834452      2.470867
  H      -6.905560     -7.069866      2.905697
  H      -5.569863     -7.441428      3.975206
  H      -5.398947     -6.121658      1.204562
  H      -4.792570     -7.757292      1.600831
  H      -3.002192     -3.535667      0.434242
  H      -4.614745     -4.213856      0.656410
  H      -1.940544     -5.299391      1.697925
  H      -2.975079     -6.054865      0.454889
  C      -1.510761      0.475778      0.897358
  C      -1.472902     -0.278211      2.005907
  C      -0.865000      0.229183      3.285087
  C      -1.987406     -1.701439      2.011315
  C      -3.520843     -1.884234      2.267595
  C      -4.362882     -1.325302      1.107202
  C      -3.930622     -1.121542      3.523997
  C      -7.781049     -7.558262      5.928988
  C      -7.860331     -6.227900      5.775098
  C      -7.558491     -5.299089      6.917191
  C      -8.313209     -5.641092      4.459786
  C      -7.296818     -4.752642      3.665637
  C      -7.759033     -4.684265      2.194273
  C      -7.339833     -3.315712      4.189477
  C      -3.627622     -4.735432      8.496775
  C      -3.149001     -5.625520      7.611122
  C      -3.973003     -6.802555      7.167597
  C      -1.742950     -5.523539      7.065505
  C      -1.543813     -4.712542      5.743439
  C      -0.069532     -4.878449      5.312005
  C      -1.715912     -3.214111      6.011106
  H      -1.136684      1.501207      0.895496
  H      -1.906754      0.091550     -0.044754
  H      -1.564710      0.157501      4.131624
  H      -0.540727      1.273556      3.191278
  H       0.012354     -0.381361      3.557288
  H      -1.465351     -2.277153      2.792468
  H      -1.738485     -2.169636      1.048029
  H      -4.213972     -0.240099      1.038463
  H      -5.429523     -1.518028      1.292746
  H      -4.094462     -1.757739      0.135023
  H      -5.001733     -1.260569      3.726687
  H      -3.344923     -1.421043      4.401324
  H      -3.765873     -0.049551      3.358657
  H      -8.013478     -8.242865      5.110715
  H      -7.497016     -8.005367      6.883939
  H      -8.375505     -4.576265      7.070156
  H      -6.648236     -4.712071      6.723380
  H      -7.408098     -5.857039      7.850648
  H      -8.649308     -6.466040      3.814407
  H      -9.204094     -5.012165      4.628742
  H      -7.770997     -5.667458      1.705980
  H      -7.101369     -4.013335      1.623139
  H      -8.781806     -4.284041      2.148015
  H      -8.359727     -2.932301      4.049396
  H      -7.087224     -3.235960      5.249110
  H      -6.663614     -2.667722      3.614156
  H      -4.632759     -4.835289      8.913100
  H      -3.019640     -3.905003      8.861620
  H      -4.159214     -6.774910      6.081782
  H      -3.437737     -7.744811      7.367395
  H      -4.942822     -6.834590      7.679502
  H      -1.090570     -5.051767      7.815990
  H      -1.349818     -6.540782      6.906822
  H       0.243766     -5.924998      5.221350
  H       0.567749     -4.414411      6.075680
  H       0.121623     -4.363932      4.358670
  H      -2.655420     -2.970697      6.509763
  H      -0.891162     -2.877213      6.653285
  H      -1.660296     -2.648610      5.070240
  N      -4.640708     -3.331187      5.495689
  H      -4.880168     -2.338963      5.520090
  H      -4.706787     -3.734563      6.439668
86
Coordinates from ORCA-job orca E -5411.539746857839
  N      -3.820261     -3.327235      2.418944
  C      -3.665767     -4.059593      1.146072
  C      -2.993332     -5.399499      1.378846
  N      -3.703533     -6.101667      2.467109
  C      -4.959020     -6.739928      2.015551
  C      -5.883021     -6.740147      3.213450
  N      -5.935582     -5.369150      3.733464
  Mo     -4.203591     -4.423913      4.009201
  N      -2.502869     -5.203901      4.700849
  C      -1.885821     -6.368199      4.055700
  C      -2.875707     -7.090354      3.184525
  H      -1.501204     -7.072982      4.811749
  H      -1.014854     -6.051385      3.455866
  H      -3.552110     -7.688820      3.807843
  H      -2.369322     -7.771752      2.479408
  H      -6.877808     -7.101033      2.925831
  H      -5.532517     -7.433617      3.994495
  H      -5.395590     -6.125347      1.218092
  H      -4.757341     -7.747883      1.615237
  H      -3.043004     -3.493370      0.440099
  H      -4.648957     -4.191369      0.660913
  H      -1.954777     -5.235611      1.696333
  H      -2.980959     -6.008674      0.458712
  C      -1.503656      0.435977      0.845399
  C      -1.422611     -0.344660      1.932454
  C      -0.702201      0.101483      3.175444
  C      -1.996384     -1.745841      1.938027
  C      -3.512537     -1.868015      2.292377
  C      -4.397791     -1.233142      1.212576
  C      -3.799987     -1.132459      3.591197
  C      -7.788831     -7.602015      5.913347
  C      -7.871464     -6.270519      5.771811
  C      -7.583300     -5.357282      6.928261
  C      -8.326638     -5.675026      4.458620
  C      -7.316601     -4.781488      3.654170
  C      -7.768886     -4.757994      2.180939
  C      -7.392260     -3.333063      4.139913
  C      -3.637343     -4.771260      8.546734
  C      -3.163552     -5.621377      7.620125
  C      -3.990688     -6.776553      7.126438
  C      -1.761857     -5.498505      7.068344
  C      -1.576872     -4.655533      5.767533
  C      -0.103849     -4.801387      5.325574
  C      -1.771688     -3.162508      6.061194
  H      -1.085939      1.444099      0.838905
  H      -1.979765      0.091900     -0.074773
  H      -1.342271      0.044360      4.068964
  H      -0.335029      1.130888      3.079535
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  H      -1.454630     -2.366379      2.667192
  H      -1.839191     -2.198624      0.948527
  H      -4.196253     -0.154919      1.169495
  H      -5.457263     -1.382588      1.465743
  H      -4.212330     -1.646649      0.213845
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  H      -3.159224     -1.484583      4.408806
  H      -3.602619     -0.064090      3.442256
  H      -8.016178     -8.279336      5.087646
  H      -7.506439     -8.057856      6.865117
  H      -8.403882     -4.639539      7.087539
  H      -6.674768     -4.764963      6.749536
  H      -7.436028     -5.927338      7.854553
  H      -8.659227     -6.500045      3.811984
  H      -9.220145     -5.051180      4.629161
  H      -7.755477     -5.752636      1.716086
  H      -7.123886     -4.084198      1.598457
  H      -8.800456     -4.383669      2.119933
  H      -8.418232     -2.973665      3.983301
  H      -7.145477     -3.217414      5.195370
  H      -6.725425     -2.688835      3.549114
  H      -4.642071     -4.888791      8.960585
  H      -3.027821     -3.957700      8.946538
  H      -4.158109     -6.712943      6.038715
  H      -3.464964     -7.728389      7.306609
  H      -4.968105     -6.815207      7.623899
  H      -1.102886     -5.047927      7.826276
  H      -1.368846     -6.510173      6.875583
  H       0.215148     -5.845554      5.213815
  H       0.535032     -4.345951      6.092753
  H       0.078431     -4.270410      4.379690
  H      -2.718100     -2.938118      6.555453
  H      -0.956462     -2.824785      6.714301
  H      -1.715259     -2.581524      5.130192
  N      -4.699735     -3.306723      5.494453
  H      -4.963719     -2.320503      5.510247
  H      -4.754374     -3.702775      6.443471
86
Coordinates from ORCA-job orca E -5421.844007061706
  N      -3.866778     -3.259554      2.466840
  C      -3.740406     -3.943110      1.171755
  C      -3.040986     -5.287430      1.372929
  N      -3.718871     -6.022964      2.456606
  C      -4.959153     -6.674077      1.999970
  C      -5.869351     -6.714338      3.200209
  N      -5.945301     -5.355299      3.747345
  Mo     -4.220017     -4.383850      4.035775
  N      -2.512089     -5.144132      4.704266
  C      -1.878007     -6.288129      4.039729
  C      -2.866364     -7.012381      3.157403
  H      -1.477271     -6.997437      4.783323
  H      -1.015223     -5.947820      3.440766
  H      -3.529485     -7.630683      3.775397
  H      -2.352904     -7.674438      2.439165
  H      -6.858291     -7.089195      2.911168
  H      -5.500258     -7.415734      3.965785
  H      -5.412208     -6.053322      1.217084
  H      -4.740140     -7.670061      1.578628
  H      -3.127778     -3.361073      0.469021
  H      -4.730175     -4.060350      0.697691
  H      -2.001005     -5.109236      1.679050
  H      -3.030946     -5.881051      0.442784
  C      -1.309232      0.300205      0.757604
  C      -1.269507     -0.506548      1.828677
  C      -0.374660     -0.203595      2.998510
  C      -2.081893     -1.818515      1.896619
  C      -3.541261     -1.833645      2.365299
  C      -4.469634     -1.105439      1.366601
  C      -3.700673     -1.146807      3.640465
  C      -7.713657     -7.728550      5.855429
  C      -7.856126     -6.397695      5.750461
  C      -7.627696     -5.503558      6.932748
  C      -8.320503     -5.791063      4.447620
  C      -7.349104     -4.832044      3.670715
  C      -7.791983     -4.808818      2.193481
  C      -7.497174     -3.398048      4.176863
  C      -3.737231     -4.719157      8.524668
  C      -3.206573     -5.560790      7.619732
  C      -3.975862     -6.754409      7.127955
  C      -1.798666     -5.387373      7.094122
  C      -1.625930     -4.550864      5.787012
  C      -0.140471     -4.632151      5.374674
  C      -1.894740     -3.064775      6.067556
  H      -0.727615      1.222798      0.721639
  H      -1.914441      0.063929     -0.119516
  H      -0.935981     -0.165476      3.944662
  H       0.149506      0.751664      2.868842
  H       0.379239     -0.999317      3.115870
  H      -1.539697     -2.505049      2.578015
  H      -2.082341     -2.267334      0.901443
  H      -4.206213     -0.042972      1.348258
  H      -5.508871     -1.206640      1.699192
  H      -4.385958     -1.488806      0.340793
  H      -4.741630     -1.205352      3.998985
  H      -3.022708     -1.555660      4.389957
  H      -3.460836     -0.084572      3.503300
  H      -7.898483     -8.391747      5.006673
  H      -7.423170     -8.198942      6.797605
  H      -8.484214     -4.830285      7.096635
  H      -6.746114     -4.864816      6.782557
  H      -7.466788     -6.090398      7.845989
  H      -8.604143     -6.616873      3.778197
  H      -9.245042     -5.215679      4.620618
  H      -7.725800     -5.795423      1.714785
  H      -7.176485     -4.096212      1.625345
  H      -8.839907     -4.485245      2.127996
  H      -8.538434     -3.087303      4.016769
  H      -7.263808     -3.286816      5.235382
  H      -6.857786     -2.714339      3.600175
  H      -4.745549     -4.874722      8.917742
  H      -3.173522     -3.874217      8.926608
  H      -4.124102     -6.713461      6.036498
  H      -3.416014     -7.681180      7.333293
  H      -4.959986     -6.823937      7.608070
  H      -1.174722     -4.899343      7.858876
  H      -1.359393     -6.383287      6.923259
  H       0.228558     -5.660584      5.277147
  H       0.460506     -4.142146      6.151817
  H       0.035643     -4.099015      4.429033
  H      -2.859998     -2.881283      6.542904
  H      -1.108842     -2.685377      6.733503
  H      -1.848109     -2.485644      5.135475
  N      -4.701515     -3.296794      5.547867
  H      -4.975301     -2.313599      5.583964
  H      -4.737923     -3.709156      6.490658
86
Coordinates from ORCA-job orca E -5421.850898258181
  N      -3.884615     -3.260369      2.456989
  C      -3.794683     -3.976441      1.167422
  C      -3.050589     -5.294659      1.363644
  N      -3.694985     -6.029811      2.467846
  C      -4.924025     -6.708967      2.016398
  C      -5.836317     -6.749800      3.215874
  N      -5.926503     -5.379890      3.742081
  Mo     -4.218085     -4.385105      4.039862
  N      -2.504286     -5.132588      4.729375
  C      -1.856972     -6.265881      4.056917
  C      -2.826877     -6.999487      3.168999
  H      -1.457051     -6.977354      4.798416
  H      -0.994394     -5.912675      3.468162
  H      -3.482118     -7.629265      3.783825
  H      -2.301487     -7.652959      2.451900
  H      -6.818138     -7.141519      2.930964
  H      -5.460814     -7.435369      3.991537
  H      -5.383667     -6.103943      1.225914
  H      -4.686864     -7.705932      1.606129
  H      -3.230640     -3.405717      0.425698
  H      -4.798694     -4.129248      0.735750
  H      -2.007428     -5.084326      1.637287
  H      -3.051495     -5.901870      0.441826
  C      -1.404396      0.372485      0.679869
  C      -1.322487     -0.444187      1.740621
  C      -0.416705     -0.140285      2.901254
  C      -2.106008     -1.766563      1.812002
  C      -3.552461     -1.816180      2.341745
  C      -4.530601     -1.115536      1.370196
  C      -3.656504     -1.106021      3.625886
  C      -7.739340     -7.711607      5.828255
  C      -7.865001     -6.380687      5.710449
  C      -7.622439     -5.465623      6.876560
  C      -8.319917     -5.772352      4.410471
  C      -7.319921     -4.832969      3.655261
  C      -7.754636     -4.768038      2.172195
  C      -7.418472     -3.405894      4.196116
  C      -3.744070     -4.749038      8.561979
  C      -3.241377     -5.599154      7.649577
  C      -4.047052     -6.766662      7.151476
  C      -1.825537     -5.463614      7.132636
  C      -1.604920     -4.595425      5.848860
  C      -0.114744     -4.705276      5.459528
  C      -1.791928     -3.120138      6.193765
  H      -0.840220      1.305667      0.639344
  H      -2.027827      0.135524     -0.185007
  H      -0.968942     -0.122732      3.854694
  H       0.088321      0.825934      2.776260
  H       0.352688     -0.923700      3.001310
  H      -1.518397     -2.443250      2.464962
  H      -2.116130     -2.194486      0.813746
  H      -4.280190     -0.050535      1.326454
  H      -5.550868     -1.228251      1.753890
  H      -4.482967     -1.519622      0.349528
  H      -4.682619     -1.155331      4.025064
  H      -2.955500     -1.499710      4.355462
  H      -3.425014     -0.044000      3.468343
  H      -7.933448     -8.381466      4.987875
  H      -7.455149     -8.174894      6.774855
  H      -8.473065     -4.782341      7.027391
  H      -6.734679     -4.834909      6.709195
  H      -7.465207     -6.036384      7.800755
  H      -8.623051     -6.587010      3.735861
  H      -9.230600     -5.174543      4.585456
  H      -7.713530     -5.743719      1.672074
  H      -7.118052     -4.061386      1.620398
  H      -8.793186     -4.414540      2.108453
  H      -8.446607     -3.052089      4.041805
  H      -7.185414     -3.335621      5.264086
  H      -6.749205     -2.729165      3.642474
  H      -4.755303     -4.875055      8.955893
  H      -3.152857     -3.926685      8.969515
  H      -4.192082     -6.720726      6.060830
  H      -3.517301     -7.711247      7.354575
  H      -5.033869     -6.808572      7.627873
  H      -1.193079     -5.014562      7.913496
  H      -1.419057     -6.469875      6.944121
  H       0.229451     -5.736680      5.332761
  H       0.483011     -4.260148      6.266016
  H       0.094634     -4.141698      4.538217
  H      -2.748187     -2.900569      6.667842
  H      -0.992138     -2.823690      6.885748
  H      -1.688942     -2.506944      5.292751
  N      -4.753116     -3.308766      5.542123
  H      -5.054071     -2.333952      5.575000
  H      -4.792569     -3.722239      6.483369
86
Coordinates from ORCA-job orca E -5421.853829498199
  N      -3.900303     -3.269286      2.454874
  C      -3.865364     -3.995406      1.166471
  C      -3.085042     -5.293991      1.336598
  N      -3.682042     -6.038151      2.464487
  C      -4.912018     -6.742990      2.044930
  C      -5.810779     -6.779227      3.258561
  N      -5.907199     -5.402649      3.765988
  Mo     -4.203700     -4.398342      4.045545
  N      -2.476657     -5.129880      4.714211
  C      -1.812395     -6.240064      4.019791
  C      -2.777770     -6.988806      3.142382
  H      -1.386290     -6.950021      4.747471
  H      -0.966864     -5.858966      3.422940
  H      -3.406436     -7.639653      3.763542
  H      -2.249597     -7.625030      2.411910
  H      -6.793665     -7.182211      2.990255
  H      -5.421575     -7.450267      4.039470
  H      -5.392797     -6.154835      1.254509
  H      -4.667894     -7.741302      1.642603
  H      -3.357470     -3.421457      0.386714
  H      -4.887607     -4.176554      0.794032
  H      -2.037882     -5.058746      1.571877
  H      -3.106157     -5.903997      0.416768
  C      -1.451469      0.419837      0.731386
  C      -1.343989     -0.433689      1.759586
  C      -0.440820     -0.161461      2.930054
  C      -2.100594     -1.762770      1.780177
  C      -3.539234     -1.826198      2.348001
  C      -4.536723     -1.112332      1.412182
  C      -3.595539     -1.136987      3.668087
  C      -7.810096     -7.684539      5.870491
  C      -7.910223     -6.355207      5.722398
  C      -7.681680     -5.419268      6.876034
  C      -8.324344     -5.765245      4.398984
  C      -7.297845     -4.848375      3.650963
  C      -7.698625     -4.811487      2.158505
  C      -7.402277     -3.408758      4.159423
  C      -3.758376     -4.699891      8.499734
  C      -3.252497     -5.576956      7.615755
  C      -4.061522     -6.748954      7.135283
  C      -1.828966     -5.466845      7.117892
  C      -1.584148     -4.603996      5.836959
  C      -0.089826     -4.721933      5.459253
  C      -1.783670     -3.128592      6.177321
  H      -0.900635      1.361876      0.718332
  H      -2.081540      0.205391     -0.134710
  H      -0.992034     -0.188386      3.883705
  H       0.048925      0.816458      2.842000
  H       0.340996     -0.935960      2.999989
  H      -1.496725     -2.459746      2.392042
  H      -2.120518     -2.145054      0.759874
  H      -4.276478     -0.048585      1.366876
  H      -5.546181     -1.221272      1.827305
  H      -4.518322     -1.517179      0.391781
  H      -4.613665     -1.166658      4.084337
  H      -2.892657     -1.568360      4.381301
  H      -3.339687     -0.078043      3.531534
  H      -7.999277     -8.368606      5.040373
  H      -7.556925     -8.132478      6.833149
  H      -8.525555     -4.720891      6.990836
  H      -6.780863     -4.805630      6.717868
  H      -7.556407     -5.972336      7.815937
  H      -8.622076     -6.587141      3.731062
  H      -9.231753     -5.153542      4.540893
  H      -7.649166     -5.799083      1.681367
  H      -7.047079     -4.119200      1.605871
  H      -8.734494     -4.456007      2.065015
  H      -8.424391     -3.052977      3.972273
  H      -7.197419     -3.318460      5.230209
  H      -6.715318     -2.746168      3.610423
  H      -4.776222     -4.804814      8.882054
  H      -3.163518     -3.874089      8.894552
  H      -4.188659     -6.731147      6.041498
  H      -3.545072     -7.693141      7.372914
  H      -5.055599     -6.769061      7.596795
  H      -1.202921     -5.018479      7.903937
  H      -1.431260     -6.479114      6.941664
  H       0.251563     -5.755141      5.333962
  H       0.503987     -4.280563      6.269878
  H       0.128808     -4.158508      4.539862
  H      -2.755627     -2.908424      6.622880
  H      -1.006346     -2.834364      6.894211
  H      -1.650053     -2.512641      5.280215
  N      -4.716737     -3.321515      5.555753
  H      -5.028322     -2.350253      5.594853
  H      -4.738384     -3.735140      6.497305
86
Coordinates from ORCA-job orca E -5421.855408962679
  N      -3.922393     -3.249557      2.460645
  C      -3.904805     -3.982728      1.179551
  C      -3.094621     -5.261079      1.334218
  N      -3.666805     -6.014111      2.471650
  C      -4.893020     -6.744567      2.073305
  C      -5.788844     -6.772419      3.293205
  N      -5.897137     -5.391042      3.780995
  Mo     -4.203101     -4.376787      4.059713
  N      -2.469688     -5.098334      4.726982
  C      -1.784372     -6.181554      4.008504
  C      -2.736871     -6.946294      3.133034
  H      -1.335929     -6.892037      4.721642
  H      -0.952679     -5.770373      3.410941
  H      -3.344497     -7.618611      3.754143
  H      -2.199409     -7.564451      2.393533
  H      -6.770890     -7.188730      3.037442
  H      -5.387145     -7.426831      4.082601
  H      -5.388791     -6.178445      1.276361
  H      -4.637267     -7.745398      1.685435
  H      -3.439604     -3.393544      0.378792
  H      -4.932540     -4.197527      0.843887
  H      -2.050390     -5.003052      1.557692
  H      -3.115215     -5.871718      0.414419
  C      -1.483380      0.386628      0.670472
  C      -1.358087     -0.459307      1.702251
  C      -0.438986     -0.177954      2.858611
  C      -2.107458     -1.784374      1.733828
  C      -3.540238     -1.814904      2.332195
  C      -4.541584     -1.115906      1.391779
  C      -3.577399     -1.097750      3.654564
  C      -7.829677     -7.672888      5.862079
  C      -7.914032     -6.342708      5.713992
  C      -7.666018     -5.410001      6.866452
  C      -8.319975     -5.747214      4.388899
  C      -7.285776     -4.833372      3.650221
  C      -7.673477     -4.797882      2.155873
  C      -7.393584     -3.393189      4.158188
  C      -3.770058     -4.794444      8.534982
  C      -3.266167     -5.646076      7.625740
  C      -4.071605     -6.809670      7.121779
  C      -1.845327     -5.521131      7.126235
  C      -1.595405     -4.610409      5.878866
  C      -0.095328     -4.709097      5.517750
  C      -1.806953     -3.146202      6.264078
  H      -0.933920      1.329645      0.641370
  H      -2.127011      0.164435     -0.183339
  H      -0.976417     -0.196107      3.819146
  H       0.050697      0.799033      2.756422
  H       0.343274     -0.952170      2.924836
  H      -1.500342     -2.487364      2.333184
  H      -2.147809     -2.170269      0.708240
  H      -4.269563     -0.056525      1.306540
  H      -5.548293     -1.197960      1.821952
  H      -4.540691     -1.556588      0.386866
  H      -4.597052     -1.085673      4.063941
  H      -2.895284     -1.539705      4.384740
  H      -3.288058     -0.049842      3.501628
  H      -8.030335     -8.354303      5.032112
  H      -7.578162     -8.124291      6.824030
  H      -8.500257     -4.701156      6.987096
  H      -6.759102     -4.807833      6.701800
  H      -7.540781     -5.964032      7.806039
  H      -8.619251     -6.565250      3.716836
  H      -9.223959     -5.130071      4.528320
  H      -7.617202     -5.787072      1.681458
  H      -7.019409     -4.104295      1.608542
  H      -8.709790     -4.445215      2.053132
  H      -8.411890     -3.033828      3.956205
  H      -7.205489     -3.305406      5.231069
  H      -6.695652     -2.732409      3.622095
  H      -4.785774     -4.912216      8.919562
  H      -3.174452     -3.979053      8.949676
  H      -4.192776     -6.772114      6.027957
  H      -3.554833     -7.757153      7.345436
  H      -5.067506     -6.839683      7.579068
  H      -1.217027     -5.104531      7.927917
  H      -1.450162     -6.527283      6.912235
  H       0.254344     -5.735793      5.362698
  H       0.485753     -4.291689      6.349740
  H       0.131537     -4.114175      4.620890
  H      -2.795620     -2.936590      6.676693
  H      -1.058850     -2.882164      7.022752
  H      -1.632092     -2.497050      5.396615
  N      -4.718233     -3.294227      5.565370
  H      -5.037205     -2.325213      5.601692
  H      -4.752408     -3.709686      6.506289
86
Coordinates from ORCA-job orca E -5421.856254284197
  N      -3.955720     -3.246642      2.446212
  C      -3.952993     -3.987536      1.170974
  C      -3.122866     -5.253131      1.314600
  N      -3.671776     -6.010334      2.461012
  C      -4.891664     -6.765574      2.087114
  C      -5.777633     -6.782382      3.315770
  N      -5.899662     -5.396499      3.781822
  Mo     -4.215535     -4.368456      4.050588
  N      -2.470969     -5.071785      4.712439
  C      -1.770800     -6.135438      3.976049
  C      -2.716041     -6.922136      3.111217
  H      -1.294731     -6.839191      4.677258
  H      -0.958881     -5.700232      3.368329
  H      -3.300648     -7.610077      3.738222
  H      -2.172053     -7.527099      2.365198
  H      -6.757176     -7.215457      3.077907
  H      -5.356207     -7.417249      4.111253
  H      -5.403851     -6.226456      1.281879
  H      -4.623538     -7.770233      1.718757
  H      -3.525885     -3.390940      0.354722
  H      -4.984612     -4.228561      0.866770
  H      -2.081386     -4.979889      1.531726
  H      -3.142326     -5.865654      0.396071
  C      -1.439914      0.380106      0.736352
  C      -1.335944     -0.497582      1.744338
  C      -0.420310     -0.260500      2.913337
  C      -2.102583     -1.810971      1.729919
  C      -3.545070     -1.819441      2.315144
  C      -4.530493     -1.096371      1.373678
  C      -3.588578     -1.109770      3.644435
  C      -7.831328     -7.649774      5.909459
  C      -7.904818     -6.321892      5.736419
  C      -7.634034     -5.370549      6.867904
  C      -8.318358     -5.748337      4.403814
  C      -7.289679     -4.843828      3.645880
  C      -7.689345     -4.827348      2.155328
  C      -7.395904     -3.398709      4.140360
  C      -3.783157     -4.816656      8.508063
  C      -3.263548     -5.663017      7.602436
  C      -4.049936     -6.837608      7.094339
  C      -1.844040     -5.519035      7.105250
  C      -1.604714     -4.587495      5.872889
  C      -0.099790     -4.655536      5.523107
  C      -1.834884     -3.128802      6.272193
  H      -0.879795      1.317302      0.740195
  H      -2.076875      0.189997     -0.129712
  H      -0.963776     -0.291577      3.869693
  H       0.088301      0.709448      2.837957
  H       0.347079     -1.050738      2.965988
  H      -1.517098     -2.546733      2.310523
  H      -2.142629     -2.166825      0.692998
  H      -4.240057     -0.041210      1.287441
  H      -5.542549     -1.155871      1.796609
  H      -4.536261     -1.534675      0.367544
  H      -4.617742     -1.069014      4.029099
  H      -2.941396     -1.580171      4.389008
  H      -3.262117     -0.070660      3.506385
  H      -8.047716     -8.345022      5.094991
  H      -7.573049     -8.084880      6.877173
  H      -8.462767     -4.655073      6.989403
  H      -6.726922     -4.776439      6.678221
  H      -7.496773     -5.908522      7.814926
  H      -8.621051     -6.576724      3.746054
  H      -9.221537     -5.129273      4.539463
  H      -7.628539     -5.821878      1.693015
  H      -7.046850     -4.133713      1.595576
  H      -8.729510     -4.484892      2.056916
  H      -8.414326     -3.040939      3.936148
  H      -7.206550     -3.301428      5.212629
  H      -6.697835     -2.743600      3.598185
  H      -4.799553     -4.946430      8.887268
  H      -3.200124     -3.992440      8.923631
  H      -4.153596     -6.808258      5.998078
  H      -3.526497     -7.778182      7.331860
  H      -5.052420     -6.875217      7.536952
  H      -1.217239     -5.111479      7.913088
  H      -1.441194     -6.517938      6.871818
  H       0.272630     -5.673214      5.363833
  H       0.465748     -4.232322      6.363411
  H       0.123578     -4.049260      4.633376
  H      -2.834396     -2.928511      6.658756
  H      -1.109843     -2.871748      7.056228
  H      -1.638741     -2.466530      5.418845
  N      -4.735970     -3.272766      5.544836
  H      -5.048748     -2.301088      5.572541
  H      -4.795491     -3.687355      6.484890
86
Coordinates from ORCA-job orca E -5421.856702366235
  N      -3.980970     -3.236003      2.448990
  C      -3.990225     -3.982103      1.176976
  C      -3.146326     -5.239606      1.307018
  N      -3.674791     -6.001288      2.458831
  C      -4.889646     -6.774242      2.108765
  C      -5.761266     -6.781726      3.347964
  N      -5.895541     -5.393502      3.798224
  Mo     -4.217353     -4.355933      4.055322
  N      -2.459205     -5.045648      4.701242
  C      -1.752228     -6.093862      3.949170
  C      -2.696640     -6.897473      3.098460
  H      -1.250095     -6.790976      4.638651
  H      -0.959638     -5.640647      3.329213
  H      -3.260811     -7.593875      3.734618
  H      -2.151502     -7.494803      2.347005
  H      -6.738418     -7.229535      3.128485
  H      -5.318816     -7.400560      4.144762
  H      -5.418144     -6.258731      1.297980
  H      -4.613475     -7.782353      1.756847
  H      -3.595547     -3.377848      0.351249
  H      -5.024024     -4.244247      0.898417
  H      -2.106441     -4.957853      1.520631
  H      -3.165971     -5.851150      0.388227
  C      -1.409359      0.361861      0.767364
  C      -1.317609     -0.527632      1.766791
  C      -0.400187     -0.309012      2.938111
  C      -2.098235     -1.831787      1.737932
  C      -3.547305     -1.814167      2.310595
  C      -4.511449     -1.075488      1.358978
  C      -3.599747     -1.095478      3.635185
  C      -7.834171     -7.648255      5.939311
  C      -7.916850     -6.321834      5.757515
  C      -7.683837     -5.365823      6.892387
  C      -8.315565     -5.762924      4.413648
  C      -7.290570     -4.853582      3.652207
  C      -7.688686     -4.859052      2.162729
  C      -7.415760     -3.404073      4.129237
  C      -3.793245     -4.814944      8.460505
  C      -3.262991     -5.667540      7.567327
  C      -4.044031     -6.841987      7.050459
  C      -1.839649     -5.527011      7.080226
  C      -1.595676     -4.575577      5.867709
  C      -0.089741     -4.640059      5.519312
  C      -1.822689     -3.121400      6.287591
  H      -0.844952      1.296232      0.784398
  H      -2.043514      0.184202     -0.103376
  H      -0.942480     -0.342451      3.895339
  H       0.118808      0.655741      2.870291
  H       0.358689     -1.107915      2.983239
  H      -1.531834     -2.585741      2.312420
  H      -2.142248     -2.179686      0.698875
  H      -4.201787     -0.026563      1.266614
  H      -5.529271     -1.107731      1.770277
  H      -4.521258     -1.515599      0.353601
  H      -4.636886     -1.025766      3.994233
  H      -2.986190     -1.581486      4.396960
  H      -3.239119     -0.067183      3.500403
  H      -8.027202     -8.349500      5.123953
  H      -7.591714     -8.076242      6.914299
  H      -8.527641     -4.665832      7.000602
  H      -6.785623     -4.754797      6.719342
  H      -7.552766     -5.901157      7.841671
  H      -8.598987     -6.602106      3.761016
  H      -9.228911     -5.155161      4.531711
  H      -7.610587     -5.857190      1.710994
  H      -7.059524     -4.158651      1.596909
  H      -8.734672     -4.536357      2.060447
  H      -8.435738     -3.059694      3.910717
  H      -7.238154     -3.292013      5.201600
  H      -6.719117     -2.748506      3.586028
  H      -4.815101     -4.940139      8.826121
  H      -3.214293     -3.988807      8.877833
  H      -4.116303     -6.822429      5.951436
  H      -3.532089     -7.783050      7.310469
  H      -5.058236     -6.870127      7.466479
  H      -1.209550     -5.141909      7.896522
  H      -1.445187     -6.523472      6.823116
  H       0.283163     -5.656197      5.349326
  H       0.474339     -4.225630      6.364909
  H       0.136048     -4.024467      4.636610
  H      -2.830246     -2.916084      6.648569
  H      -1.117559     -2.885191      7.096482
  H      -1.596726     -2.446748      5.451919
  N      -4.734897     -3.253351      5.545353
  H      -5.025212     -2.274759      5.571686
  H      -4.804625     -3.666669      6.484816
86
Coordinates from ORCA-job orca E -5421.857011272172
  N      -4.002905     -3.226485      2.444652
  C      -4.011715     -3.969357      1.169585
  C      -3.158194     -5.221567      1.289208
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  C      -5.764014     -6.785822      3.323957
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  H      -1.239106     -6.759657      4.609061
  H      -0.973160     -5.595966      3.306634
  H      -3.246461     -7.582936      3.711500
  H      -2.138293     -7.470352      2.324367
  H      -6.737221     -7.241930      3.105735
  H      -5.314203     -7.399761      4.120128
  H      -5.418181     -6.273302      1.268163
  H      -4.604892     -7.786194      1.743883
  H      -3.633732     -3.356079      0.343512
  H      -5.044596     -4.244584      0.900251
  H      -2.120616     -4.935431      1.508958
  H      -3.171427     -5.826362      0.366165
  C      -1.351391      0.328865      0.803799
  C      -1.286840     -0.562052      1.804141
  C      -0.384592     -0.354624      2.989508
  C      -2.084191     -1.854226      1.763948
  C      -3.541463     -1.811643      2.314996
  C      -4.474468     -1.054251      1.349464
  C      -3.605456     -1.092251      3.640552
  C      -7.789815     -7.623331      5.996508
  C      -7.885421     -6.301225      5.789268
  C      -7.639873     -5.321665      6.900743
  C      -8.311824     -5.773834      4.441312
  C      -7.310385     -4.869977      3.643649
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  C      -7.433338     -3.414356      4.103135
  C      -3.803306     -4.826942      8.445912
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  C      -4.020763     -6.875861      7.061602
  C      -1.842696     -5.522830      7.064023
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  C      -0.112849     -4.599313      5.499351
  C      -1.864261     -3.110236      6.282502
  H      -0.778818      1.257846      0.831192
  H      -1.972780      0.156571     -0.077448
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  H       0.141599      0.606845      2.933445
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  H      -9.229644     -5.173418      4.563736
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  H      -8.458205     -3.077095      3.896488
  H      -7.238986     -3.287120      5.171239
  H      -6.747739     -2.763485      3.540350
  H      -4.820676     -4.966933      8.818099
  H      -3.236763     -3.987267      8.852381
  H      -4.062463     -6.886805      5.961524
  H      -3.506515     -7.804434      7.359540
  H      -5.045191     -6.903943      7.451608
  H      -1.207598     -5.140275      7.877454
  H      -1.441817     -6.512759      6.792560
  H       0.274783     -5.609259      5.324548
  H       0.449810     -4.177949      6.342078
  H       0.097799     -3.978487      4.616434
  H      -2.879805     -2.915579      6.628172
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  H      -1.632969     -2.428398      5.453609
  N      -4.772830     -3.255079      5.528907
  H      -5.036656     -2.269084      5.556113
  H      -4.872018     -3.673564      6.463083
86
Coordinates from ORCA-job orca E -5421.857211847540
  N      -4.019511     -3.216802      2.448437
  C      -4.040612     -3.958106      1.172005
  C      -3.180927     -5.207564      1.281427
  N      -3.689767     -5.984978      2.431769
  C      -4.896431     -6.772851      2.091529
  C      -5.762528     -6.782675      3.335679
  N      -5.914097     -5.394161      3.779156
  Mo     -4.246218     -4.345718      4.044383
  N      -2.476261     -5.019012      4.680633
  C      -1.754417     -6.044825      3.911722
  C      -2.689716     -6.863934      3.064495
  H      -1.228498     -6.736758      4.587618
  H      -0.980166     -5.567917      3.286181
  H      -3.236967     -7.571418      3.702191
  H      -2.136870     -7.449183      2.309217
  H      -6.733980     -7.247113      3.126871
  H      -5.301917     -7.390371      4.130586
  H      -5.430128     -6.273792      1.273843
  H      -4.611236     -7.783052      1.752185
  H      -3.677183     -3.342005      0.341572
  H      -5.076534     -4.237591      0.918294
  H      -2.142155     -4.918932      1.492123
  H      -3.200095     -5.810043      0.356922
  C      -1.304366      0.284030      0.798938
  C      -1.263270     -0.589872      1.815539
  C      -0.376273     -0.371729      3.010310
  C      -2.074805     -1.873430      1.790145
  C      -3.538965     -1.809019      2.319517
  C      -4.449569     -1.045191      1.338235
  C      -3.612101     -1.082648      3.641140
  C      -7.746119     -7.615023      6.021461
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  C      -8.307255     -5.788060      4.454004
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  C      -7.751238     -4.923293      2.169805
  C      -7.451875     -3.420612      4.102545
  C      -3.814526     -4.851071      8.427448
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  C      -1.878398     -3.106777      6.292465
  H      -0.721041      1.206394      0.817165
  H      -1.914714      0.102116     -0.088072
  H      -0.944438     -0.387137      3.953566
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  H      -2.105420     -2.242472      0.757671
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  H      -5.479602     -1.038771      1.718439
  H      -4.449340     -1.480958      0.330607
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  H      -7.925052     -8.343366      5.227708
  H      -7.476715     -8.009141      7.003401
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  H      -6.782270     -4.659236      6.696868
  H      -7.470842     -5.808534      7.867429
  H      -8.579753     -6.653322      3.831555
  H      -9.233726     -5.199841      4.571445
  H      -7.657882     -5.927473      1.735168
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  H      -8.807815     -4.630839      2.088031
  H      -8.479420     -3.092009      3.895062
  H      -7.258025     -3.287855      5.170130
  H      -6.771328     -2.766359      3.537515
  H      -4.833800     -4.998824      8.791161
  H      -3.253284     -4.015064      8.848362
  H      -4.015284     -6.904895      5.920897
  H      -3.513871     -7.817891      7.341882
  H      -5.050636     -6.908975      7.374969
  H      -1.209627     -5.153310      7.870695
  H      -1.437561     -6.511209      6.766798
  H       0.284249     -5.574028      5.317888
  H       0.441370     -4.142929      6.338757
  H       0.086311     -3.944334      4.613391
  H      -2.900549     -2.920233      6.622993
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  H      -1.634569     -2.414494      5.475254
  N      -4.782477     -3.242250      5.526379
  H      -5.019778     -2.249432      5.553268
  H      -4.905650     -3.662936      6.456317
86
Coordinates from ORCA-job orca E -5421.857352530405
  N      -4.036461     -3.204330      2.450422
  C      -4.064573     -3.943430      1.172137
  C      -3.197426     -5.187891      1.273267
  N      -3.694318     -5.970685      2.425247
  C      -4.897807     -6.764956      2.090716
  C      -5.761173     -6.777450      3.336840
  N      -5.923106     -5.388678      3.778378
  Mo     -4.257445     -4.336889      4.042851
  N      -2.480320     -4.998840      4.673704
  C      -1.752534     -6.015155      3.897598
  C      -2.683465     -6.840673      3.052006
  H      -1.216225     -6.705196      4.566937
  H      -0.986544     -5.528266      3.269139
  H      -3.222158     -7.554725      3.689618
  H      -2.127349     -7.418529      2.293414
  H      -6.728491     -7.251808      3.130772
  H      -5.293870     -7.380631      4.131216
  H      -5.433157     -6.270709      1.271419
  H      -4.610578     -7.775866      1.755030
  H      -3.713851     -3.323574      0.338823
  H      -5.102030     -4.228570      0.932387
  H      -2.158869     -4.894006      1.476768
  H      -3.218973     -5.787840      0.347172
  C      -1.254638      0.219182      0.772400
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  C      -0.360400     -0.379536      3.015160
  C      -2.055459     -1.899174      1.820025
  C      -3.527534     -1.804935      2.324704
  C      -4.407719     -1.023162      1.331780
  C      -3.602805     -1.073872      3.646686
  C      -7.720459     -7.627122      6.034258
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  H      -0.660802      1.134907      0.768311
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  H      -7.491540     -5.821756      7.886370
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  H      -7.280230     -3.292932      5.174289
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  H      -3.984516     -6.920492      5.901858
  H      -3.515655     -7.825995      7.339242
  H      -5.049421     -6.910611      7.333138
  H      -1.202353     -5.167178      7.858698
  H      -1.435945     -6.508469      6.735638
  H       0.288239     -5.535117      5.303954
  H       0.431971     -4.102069      6.325559
  H       0.063967     -3.907926      4.602037
  H      -2.925692     -2.924050      6.623441
  H      -1.239100     -2.885683      7.161065
  H      -1.639760     -2.395478      5.507283
  N      -4.804685     -3.223384      5.512306
  H      -5.022705     -2.226006      5.531242
  H      -4.940125     -3.636901      6.443386
86
Coordinates from ORCA-job orca E -5421.857393047312
  N      -4.034364     -3.201621      2.457467
  C      -4.066837     -3.937017      1.177025
  C      -3.197364     -5.180778      1.271183
  N      -3.689020     -5.967948      2.422472
  C      -4.891737     -6.763239      2.086756
  C      -5.755902     -6.781300      3.331843
  N      -5.920645     -5.393154      3.776853
  Mo     -4.253790     -4.342839      4.044833
  N      -2.474428     -5.001626      4.672073
  C      -1.746120     -6.015570      3.894111
  C      -2.677201     -6.838343      3.046379
  H      -1.210280     -6.707842      4.562036
  H      -0.979279     -5.527852      3.267365
  H      -3.216135     -7.553088      3.683467
  H      -2.122289     -7.415693      2.286578
  H      -6.721732     -7.256696      3.121136
  H      -5.291076     -7.386952      4.125853
  H      -5.428130     -6.265868      1.269910
  H      -4.604570     -7.772704      1.746624
  H      -3.716680     -3.315029      0.344676
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  H      -2.158027     -4.885819      1.468393
  H      -3.223427     -5.778379      0.343447
  C      -1.255602      0.205429      0.745711
  C      -1.238343     -0.614939      1.806081
  C      -0.368248     -0.346390      3.003251
  C      -2.055504     -1.893700      1.832262
  C      -3.528517     -1.799987      2.334665
  C      -4.409423     -1.016439      1.343188
  C      -3.603054     -1.070728      3.657657
  C      -7.714718     -7.599461      6.072710
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  C      -8.308135     -5.807142      4.475386
  C      -7.332390     -4.895295      3.654409
  C      -7.774568     -4.961908      2.178028
  C      -7.480107     -3.434110      4.086898
  C      -3.814125     -4.895455      8.418694
  C      -3.261373     -5.723355      7.517197
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  C      -1.840112     -5.547193      7.032460
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  C      -0.122512     -4.543035      5.493194
  C      -1.901918     -3.117475      6.326466
  H      -0.663127      1.122008      0.725662
  H      -1.853625     -0.016357     -0.140456
  H      -0.949296     -0.321090      3.937731
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  H      -8.511954     -3.118268      3.880722
  H      -7.281366     -3.282881      5.150482
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  H      -4.835445     -5.047252      8.775338
  H      -3.254167     -4.065873      8.854080
  H      -3.988182     -6.921056      5.878986
  H      -3.523797     -7.844588      7.307084
  H      -5.055421     -6.926373      7.307512
  H      -1.206099     -5.191909      7.858798
  H      -1.437671     -6.527025      6.728058
  H       0.291002     -5.540905      5.308257
  H       0.432361     -4.112418      6.336880
  H       0.065270     -3.910288      4.613848
  H      -2.931972     -2.946855      6.640124
  H      -1.246522     -2.907727      7.182333
  H      -1.644927     -2.402319      5.533633
  N      -4.804727     -3.233772      5.516138
  H      -5.030826     -2.238400      5.533332
  H      -4.943826     -3.647418      6.446601
86
Coordinates from ORCA-job orca E -5421.857420445380
  N      -4.035306     -3.198758      2.462012
  C      -4.071357     -3.933094      1.181617
  C      -3.204016     -5.178914      1.272479
  N      -3.693945     -5.966041      2.424719
  C      -4.897736     -6.760558      2.089261
  C      -5.761624     -6.778779      3.333942
  N      -5.925762     -5.390411      3.779054
  Mo     -4.254958     -4.343504      4.047043
  N      -2.474044     -5.001097      4.670988
  C      -1.747677     -6.015560      3.891674
  C      -2.681144     -6.837882      3.045182
  H      -1.210541     -6.708010      4.558590
  H      -0.982326     -5.528387      3.262841
  H      -3.218614     -7.554215      3.681948
  H      -2.128069     -7.413851      2.282885
  H      -6.727546     -7.253512      3.121382
  H      -5.298799     -7.385435      4.128314
  H      -5.434421     -6.261898      1.273411
  H      -4.611457     -7.769958      1.748089
  H      -3.720924     -3.310382      0.349638
  H      -5.110834     -4.212504      0.946070
  H      -2.163650     -4.885838      1.466434
  H      -3.233960     -5.776484      0.344709
  C      -1.237509      0.182018      0.733284
  C      -1.227895     -0.625031      1.804061
  C      -0.361066     -0.343254      3.000682
  C      -2.050308     -1.901044      1.844418
  C      -3.525673     -1.798499      2.338173
  C      -4.401695     -1.014409      1.340764
  C      -3.603480     -1.065242      3.658818
  C      -7.731377     -7.627848      6.039863
  C      -7.883347     -6.313514      5.819944
  C      -7.695494     -5.313973      6.925880
  C      -8.315804     -5.815147      4.463311
  C      -7.337376     -4.892537      3.658954
  C      -7.775907     -4.937985      2.180145
  C      -7.485908     -3.437314      4.111072
  C      -3.804760     -4.871323      8.416835
  C      -3.250466     -5.708991      7.525256
  C      -3.993168     -6.907255      7.008372
  C      -1.831217     -5.532556      7.035538
  C      -1.623050     -4.539542      5.848713
  C      -0.119767     -4.538795      5.483446
  C      -1.899620     -3.109423      6.312930
  H      -0.641085      1.095928      0.704219
  H      -1.834505     -0.046770     -0.151788
  H      -0.946307     -0.299215      3.931792
  H       0.184301      0.602937      2.890625
  H       0.375383     -1.153120      3.136135
  H      -1.541629     -2.615520      2.515012
  H      -2.059566     -2.343339      0.839878
  H      -4.043645      0.021511      1.288436
  H      -5.442823     -1.007926      1.691263
  H      -4.376189     -1.425852      0.323745
  H      -4.650496     -0.965375      3.981090
  H      -3.025939     -1.560333      4.443562
  H      -3.207617     -0.049483      3.531405
  H      -7.884420     -8.361870      5.245791
  H      -7.465395     -8.014160      7.025827
  H      -8.575047     -4.657444      7.019831
  H      -6.833372     -4.660302      6.727519
  H      -7.529316     -5.813788      7.888999
  H      -8.568676     -6.687835      3.843216
  H      -9.251360     -5.240048      4.570836
  H      -7.672813     -5.938313      1.739150
  H      -7.192941     -4.223064      1.583074
  H      -8.836112     -4.656489      2.105094
  H      -8.517308     -3.118210      3.908009
  H      -7.289013     -3.300413      5.177289
  H      -6.813006     -2.778042      3.543962
  H      -4.824506     -5.022670      8.778098
  H      -3.248240     -4.032361      8.838191
  H      -3.987799     -6.929440      5.908089
  H      -3.496336     -7.834267      7.339655
  H      -5.035175     -6.928988      7.350035
  H      -1.197910     -5.165930      7.857417
  H      -1.425351     -6.514243      6.741849
  H       0.294791     -5.537631      5.306434
  H       0.436928     -4.099555      6.321416
  H       0.063718     -3.913670      4.597776
  H      -2.930267     -2.938580      6.624394
  H      -1.245816     -2.895277      7.169197
  H      -1.642000     -2.397111      5.517849
  N      -4.805062     -3.233510      5.517852
  H      -5.033554     -2.238642      5.532350
  H      -4.944496     -3.644761      6.449062
86
Coordinates from ORCA-job orca E -5421.857446891598
  N      -4.034264     -3.199616      2.457911
  C      -4.064827     -3.936632      1.178762
  C      -3.199765     -5.183590      1.274136
  N      -3.693393     -5.967846      2.426497
  C      -4.897416     -6.762596      2.091009
  C      -5.762284     -6.778036      3.335130
  N      -5.926275     -5.389164      3.777637
  Mo     -4.255257     -4.342351      4.044923
  N      -2.475271     -4.999535      4.671762
  C      -1.749038     -6.016252      3.895242
  C      -2.682582     -6.839787      3.049990
  H      -1.213231     -6.707509      4.564337
  H      -0.982454     -5.530981      3.266300
  H      -3.221309     -7.553854      3.688237
  H      -2.129637     -7.418529      2.289712
  H      -6.728602     -7.252547      3.123279
  H      -5.299901     -7.382865      4.131253
  H      -5.434456     -6.265326      1.274428
  H      -4.610491     -7.772165      1.751194
  H      -3.709985     -3.315325      0.347647
  H      -5.103256     -4.215748      0.938086
  H      -2.159489     -4.891694      1.470851
  H      -3.228186     -5.782924      0.347583
  C      -1.242569      0.191090      0.739069
  C      -1.230589     -0.622391      1.804905
  C      -0.364489     -0.344614      3.002985
  C      -2.050403     -1.899927      1.837141
  C      -3.524644     -1.799396      2.333620
  C      -4.402466     -1.014420      1.338655
  C      -3.601340     -1.068671      3.656271
  C      -7.723007     -7.627050      6.040007
  C      -7.876077     -6.312537      5.821407
  C      -7.683581     -5.314077      6.927315
  C      -8.313570     -5.813764      4.466341
  C      -7.337900     -4.890929      3.659377
  C      -7.779793     -4.938109      2.182078
  C      -7.485715     -3.435544      4.111878
  C      -3.810617     -4.875841      8.418719
  C      -3.256063     -5.709496      7.523496
  C      -4.000351     -6.903213      6.998366
  C      -1.836282     -5.532425      7.035463
  C      -1.625133     -4.538862      5.849811
  C      -0.121589     -4.543025      5.485959
  C      -1.897570     -3.106887      6.312267
  H      -0.648944      1.106936      0.715652
  H      -1.839675     -0.033573     -0.147083
  H      -0.950583     -0.302105      3.933914
  H       0.181647      0.601428      2.896114
  H       0.371299     -1.155271      3.137036
  H      -1.540545     -2.619746      2.500746
  H      -2.060293     -2.334541      0.829208
  H      -4.045339      0.021744      1.285857
  H      -5.443091     -1.008703      1.690228
  H      -4.377949     -1.425854      0.321627
  H      -4.648112     -0.966313      3.978315
  H      -3.025701     -1.566854      4.440857
  H      -3.203262     -0.053413      3.530842
  H      -7.879219     -8.360454      5.245998
  H      -7.453164     -8.014097      7.024704
  H      -8.561077     -4.655182      7.023778
  H      -6.820044     -4.662601      6.727586
  H      -7.516302     -5.814714      7.889840
  H      -8.568622     -6.686255      3.846832
  H      -9.248933     -5.238975      4.577344
  H      -7.677550     -5.939029      1.741992
  H      -7.198003     -4.223664      1.583569
  H      -8.840125     -4.656919      2.108758
  H      -8.517668     -3.116608      3.911333
  H      -7.286316     -3.298418      5.177576
  H      -6.814209     -2.776380      3.542810
  H      -4.830732     -5.028456      8.778395
  H      -3.253625     -4.039964      8.845470
  H      -3.997145     -6.916768      5.897736
  H      -3.503237     -7.833022      7.321129
  H      -5.041515     -6.926954      7.342513
  H      -1.203761     -5.166572      7.858335
  H      -1.430332     -6.513925      6.741417
  H       0.288955     -5.543383      5.307938
  H       0.436155     -4.107347      6.324961
  H       0.065508     -3.917332      4.601386
  H      -2.927400     -2.932374      6.624147
  H      -1.242152     -2.893076      7.167405
  H      -1.638635     -2.395892      5.516221
  N      -4.806253     -3.228913      5.512941
  H      -5.039289     -2.234871      5.523624
  H      -4.943219     -3.636537      6.446287
86
Coordinates from ORCA-job orca E -5421.857462153145
  N      -4.038801     -3.197547      2.458777
  C      -4.069253     -3.934429      1.179417
  C      -3.202433     -5.180195      1.272618
  N      -3.694246     -5.966195      2.424411
  C      -4.897481     -6.761994      2.089063
  C      -5.761205     -6.779042      3.334046
  N      -5.927170     -5.390718      3.777365
  Mo     -4.256855     -4.342337      4.044663
  N      -2.475502     -4.997985      4.669418
  C      -1.748583     -6.013318      3.891367
  C      -2.681715     -6.837522      3.046181
  H      -1.211515     -6.704341      4.559487
  H      -0.983174     -5.526381      3.262285
  H      -3.218737     -7.552950      3.684143
  H      -2.128689     -7.414877      2.284906
  H      -6.727045     -7.254753      3.123125
  H      -5.296952     -7.383307      4.129486
  H      -5.436033     -6.264752      1.273426
  H      -4.609036     -7.770733      1.748155
  H      -3.716381     -3.311715      0.348636
  H      -5.107446     -4.215414      0.939137
  H      -2.162295     -4.887520      1.469329
  H      -3.231052     -5.778561      0.345557
  C      -1.236798      0.185687      0.743745
  C      -1.228435     -0.627001      1.810274
  C      -0.364453     -0.348721      3.009734
  C      -2.050655     -1.902856      1.841774
  C      -3.525358     -1.798571      2.334974
  C      -4.399184     -1.012602      1.337205
  C      -3.604555     -1.066746      3.657049
  C      -7.720514     -7.623849      6.047893
  C      -7.872583     -6.309794      5.825652
  C      -7.675432     -5.308598      6.928113
  C      -8.313182     -5.814821      4.470145
  C      -7.339171     -4.894100      3.658559
  C      -7.782275     -4.947357      2.182082
  C      -7.487167     -3.437203      4.106232
  C      -3.810521     -4.877219      8.417420
  C      -3.256556     -5.710345      7.521369
  C      -4.002235     -6.902191      6.994013
  C      -1.836926     -5.533558      7.032457
  C      -1.626072     -4.538113      5.848414
  C      -0.122180     -4.540000      5.485671
  C      -1.899074     -3.106979      6.312432
  H      -0.641722      1.100542      0.720868
  H      -1.832300     -0.038833     -0.143570
  H      -0.953324     -0.297610      3.938601
  H       0.187633      0.593487      2.900055
  H       0.366034     -1.163028      3.150500
  H      -1.543400     -2.624217      2.505736
  H      -2.059240     -2.337744      0.833911
  H      -4.041244      0.023366      1.284931
  H      -5.441086     -1.005629      1.685013
  H      -4.372052     -1.423967      0.320123
  H      -4.652149     -0.960829      3.975684
  H      -3.032989     -1.565397      4.444241
  H      -3.203799     -0.052425      3.532383
  H      -7.879931     -8.359354      5.256619
  H      -7.448899     -8.008353      7.033098
  H      -8.550307     -4.646171      7.023775
  H      -6.809716     -4.660979      6.725324
  H      -7.508428     -5.806929      7.891896
  H      -8.569979     -6.689049      3.853892
  H      -9.248551     -5.239971      4.581601
  H      -7.678761     -5.949934      1.745965
  H      -7.201795     -4.234280      1.580515
  H      -8.843079     -4.668121      2.108335
  H      -8.519570     -3.119546      3.905831
  H      -7.286686     -3.296140      5.171164
  H      -6.816631     -2.779812      3.533950
  H      -4.830518     -5.029935      8.777348
  H      -3.252813     -4.042385      8.845358
  H      -3.994880     -6.915794      5.893392
  H      -3.508292     -7.833289      7.318164
  H      -5.044620     -6.923358      7.334778
  H      -1.203626     -5.169188      7.855452
  H      -1.431450     -6.514600      6.736403
  H       0.289485     -5.539660      5.306694
  H       0.434387     -4.104982      6.325849
  H       0.065329     -3.912702      4.602284
  H      -2.929787     -2.932927      6.621831
  H      -1.245446     -2.894559      7.169290
  H      -1.638119     -2.394566      5.518257
  N      -4.809434     -3.229249      5.512367
  H      -5.039811     -2.234512      5.522205
  H      -4.947079     -3.635759      6.446056
86
Coordinates from ORCA-job orca E -5421.857483250930
  N      -4.040044     -3.196536      2.460581
  C      -4.070912     -3.933061      1.180914
  C      -3.203823     -5.178757      1.271459
  N      -3.694323     -5.966565      2.422765
  C      -4.897472     -6.762150      2.086698
  C      -5.760222     -6.781077      3.332407
  N      -5.927469     -5.393241      3.777132
  Mo     -4.255897     -4.345006      4.044324
  N      -2.473585     -5.000145      4.666246
  C      -1.747113     -6.015525      3.887590
  C      -2.680766     -6.838890      3.041894
  H      -1.210596     -6.706993      4.555591
  H      -0.981664     -5.528360      3.258780
  H      -3.216704     -7.556014      3.678706
  H      -2.128356     -7.414654      2.278962
  H      -6.725836     -7.257267      3.121899
  H      -5.294855     -7.385482      4.127067
  H      -5.436888     -6.263375      1.272633
  H      -4.608080     -7.769890      1.743638
  H      -3.718552     -3.309188      0.350745
  H      -5.109212     -4.213983      0.940331
  H      -2.163398     -4.886761      1.467751
  H      -3.233971     -5.775871      0.343721
  C      -1.232941      0.182339      0.744922
  C      -1.227753     -0.627029      1.814053
  C      -0.367390     -0.343392      3.014842
  C      -2.050574     -1.902368      1.847415
  C      -3.525450     -1.797487      2.337953
  C      -4.397782     -1.011402      1.338527
  C      -3.607786     -1.065603      3.660058
  C      -7.717879     -7.622143      6.053574
  C      -7.871625     -6.308823      5.828110
  C      -7.674136     -5.304534      6.927649
  C      -8.312919     -5.817913      4.471417
  C      -7.339711     -4.897714      3.658287
  C      -7.783035     -4.952635      2.181971
  C      -7.487747     -3.440546      4.104832
  C      -3.806863     -4.873068      8.419087
  C      -3.257347     -5.707162      7.521235
  C      -4.009010     -6.894689      6.992659
  C      -1.837856     -5.535078      7.030239
  C      -1.624865     -4.540793      5.845694
  C      -0.120406     -4.544628      5.484791
  C      -1.896591     -3.109015      6.308039
  H      -0.637195      1.096686      0.720624
  H      -1.826234     -0.044691     -0.143269
  H      -0.961095     -0.274706      3.939632
  H       0.194156      0.592273      2.897329
  H       0.354500     -1.162666      3.170098
  H      -1.543528     -2.623218      2.512273
  H      -2.056942     -2.339149      0.840145
  H      -4.043793      0.026168      1.290154
  H      -5.441386     -1.008956      1.681513
  H      -4.365458     -1.419114      0.320071
  H      -4.655887     -0.959826      3.977737
  H      -3.036535     -1.562087      4.448749
  H      -3.209360     -0.050249      3.536031
  H      -7.876657     -8.359569      5.264074
  H      -7.445994     -8.004107      7.039677
  H      -8.547290     -4.639458      7.019688
  H      -6.806200     -4.660070      6.724125
  H      -7.509776     -5.800305      7.893221
  H      -8.569215     -6.693989      3.857626
  H      -9.249347     -5.244295      4.581390
  H      -7.679017     -5.956003      1.747780
  H      -7.201931     -4.240582      1.579496
  H      -8.843841     -4.673641      2.107323
  H      -8.520483     -3.123334      3.905187
  H      -7.286543     -3.298527      5.169467
  H      -6.817723     -2.783720      3.531436
  H      -4.826746     -5.022788      8.780548
  H      -3.245386     -4.040964      8.847512
  H      -4.001100     -6.907128      5.892031
  H      -3.519749     -7.828803      7.315507
  H      -5.051508     -6.911075      7.333308
  H      -1.202868     -5.171658      7.852436
  H      -1.435142     -6.517323      6.734507
  H       0.289969     -5.544948      5.306487
  H       0.435643     -4.110527      6.325833
  H       0.069449     -3.917414      4.601877
  H      -2.928058     -2.933899      6.614662
  H      -1.244280     -2.896657      7.165856
  H      -1.633284     -2.397089      5.514142
  N      -4.809444     -3.230685      5.510852
  H      -5.039269     -2.235756      5.516431
  H      -4.949625     -3.633579      6.445618
86
Coordinates from ORCA-job orca E -5421.857504964456
  N      -4.042659     -3.194624      2.462903
  C      -4.074596     -3.930750      1.182919
  C      -3.207512     -5.176609      1.270286
  N      -3.696230     -5.966511      2.421316
  C      -4.899384     -6.762305      2.085428
  C      -5.760454     -6.782884      3.332318
  N      -5.929172     -5.395193      3.777336
  Mo     -4.256016     -4.347091      4.043988
  N      -2.472491     -5.001847      4.662213
  C      -1.746818     -6.017465      3.883249
  C      -2.681462     -6.839699      3.037504
  H      -1.210897     -6.709387      4.551271
  H      -0.981237     -5.530460      3.254510
  H      -3.216337     -7.558183      3.673736
  H      -2.130167     -7.414089      2.272750
  H      -6.725753     -7.260419      3.123434
  H      -5.292828     -7.386561      4.126317
  H      -5.440145     -6.262251      1.273076
  H      -4.609339     -7.769153      1.740296
  H      -3.722801     -3.305888      0.353143
  H      -5.113043     -4.211163      0.942319
  H      -2.166658     -4.885531      1.465644
  H      -3.239671     -5.772231      0.341631
  C      -1.220854      0.174161      0.748429
  C      -1.223790     -0.630291      1.821269
  C      -0.371186     -0.340943      3.026237
  C      -2.049690     -1.903532      1.855612
  C      -3.525598     -1.795711      2.341044
  C      -4.393872     -1.009889      1.337283
  C      -3.612199     -1.061549      3.661948
  C      -7.717314     -7.624391      6.054707
  C      -7.872682     -6.311308      5.828768
  C      -7.675851     -5.306479      6.927876
  C      -8.314171     -5.821732      4.471617
  C      -7.341806     -4.900860      3.658302
  C      -7.785197     -4.956122      2.181988
  C      -7.490816     -3.443842      4.104605
  C      -3.799950     -4.866282      8.420400
  C      -3.254237     -5.702002      7.521828
  C      -4.009515     -6.888711      6.996070
  C      -1.835854     -5.532736      7.027091
  C      -1.623272     -4.540959      5.840469
  C      -0.118686     -4.546875      5.479468
  C      -1.893896     -3.107950      6.299348
  H      -0.622633      1.086889      0.723277
  H      -1.809743     -0.055578     -0.142008
  H      -0.973714     -0.246500      3.943149
  H       0.205967      0.584013      2.899462
  H       0.335874     -1.168434      3.203806
  H      -1.544820     -2.624435      2.522247
  H      -2.052919     -2.342401      0.849013
  H      -4.042899      0.028891      1.292204
  H      -5.439872     -1.010237      1.673235
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  H      -4.661012     -0.955294      3.977447
  H      -3.041930     -1.554293      4.453783
  H      -3.215776     -0.045415      3.537365
  H      -7.874377     -8.361949      5.265003
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  H      -8.547504     -4.639229      7.017666
  H      -6.805887     -4.664303      6.725597
  H      -7.514316     -5.801890      7.894142
  H      -8.569562     -6.698698      3.858662
  H      -9.251740     -5.249774      4.580812
  H      -7.680959     -5.959840      1.748732
  H      -7.203411     -4.244725      1.579312
  H      -8.845936     -4.677111      2.106621
  H      -8.524022     -3.127575      3.905643
  H      -7.289082     -3.301427      5.169029
  H      -6.821546     -2.786864      3.530661
  H      -4.819199     -5.014008      8.784485
  H      -3.236191     -4.034368      8.846205
  H      -4.001945     -6.903279      5.895466
  H      -3.522313     -7.823620      7.319888
  H      -5.051681     -6.902181      7.337567
  H      -1.198669     -5.168627      7.847308
  H      -1.434964     -6.515975      6.732117
  H       0.290339     -5.548033      5.302596
  H       0.437779     -4.112529      6.320129
  H       0.072362     -3.920952      4.595978
  H      -2.925413     -2.932161      6.605520
  H      -1.240841     -2.893248      7.155959
  H      -1.631291     -2.398084      5.503339
  N      -4.810706     -3.231530      5.509297
  H      -5.040315     -2.236607      5.508965
  H      -4.952314     -3.629330      6.445887
86
Coordinates from ORCA-job orca E -5421.857526057596
  N      -4.041805     -3.195656      2.464005
  C      -4.073022     -3.931372      1.183787
  C      -3.206782     -5.177735      1.270522
  N      -3.696272     -5.968689      2.420818
  C      -4.900075     -6.763287      2.084250
  C      -5.760612     -6.784746      3.331562
  N      -5.928668     -5.397384      3.777971
  Mo     -4.254184     -4.349832      4.043496
  N      -2.470667     -5.005946      4.659852
  C      -1.746352     -6.023057      3.882074
  C      -2.682132     -6.843375      3.035922
  H      -1.212482     -6.715836      4.550990
  H      -0.979227     -5.537786      3.253889
  H      -3.217709     -7.561766      3.671762
  H      -2.131774     -7.417645      2.270423
  H      -6.726148     -7.262139      3.123382
  H      -5.292042     -7.389087      4.124548
  H      -5.440532     -6.261634      1.272707
  H      -4.610873     -7.769922      1.737731
  H      -3.720210     -3.306465      0.354378
  H      -5.111369     -4.210919      0.941978
  H      -2.165820     -4.887687      1.466694
  H      -3.239044     -5.772337      0.341164
  C      -1.219430      0.177788      0.755338
  C      -1.224237     -0.628298      1.826909
  C      -0.375027     -0.339912      3.034573
  C      -2.050744     -1.901195      1.857764
  C      -3.527144     -1.795351      2.342755
  C      -4.395689     -1.011335      1.337442
  C      -3.616941     -1.060463      3.663384
  C      -7.720791     -7.624975      6.055434
  C      -7.875505     -6.311959      5.828672
  C      -7.680944     -5.306630      6.927710
  C      -8.314455     -5.822914      4.470513
  C      -7.340872     -4.902058      3.658633
  C      -7.783691     -4.955575      2.181937
  C      -7.489253     -3.445427      4.106132
  C      -3.796911     -4.856742      8.417817
  C      -3.252614     -5.695904      7.521650
  C      -4.009279     -6.883825      7.000106
  C      -1.834271     -5.529872      7.026300
  C      -1.620298     -4.542646      5.836274
  C      -0.115529     -4.553002      5.475459
  C      -1.888395     -3.107545      6.289824
  H      -0.620497      1.090140      0.732163
  H      -1.807528     -0.050474     -0.135988
  H      -0.981872     -0.232972      3.947257
  H       0.211640      0.578687      2.904839
  H       0.322658     -1.173038      3.222217
  H      -1.545066     -2.624306      2.521456
  H      -2.053712     -2.336645      0.849485
  H      -4.047601      0.028517      1.293079
  H      -5.442548     -1.013732      1.671068
  H      -4.354318     -1.415198      0.317732
  H      -4.666222     -0.957564      3.978613
  H      -3.045250     -1.549484      4.456564
  H      -3.224615     -0.042772      3.538592
  H      -7.876162     -8.362595      5.265385
  H      -7.450771     -8.006509      7.042239
  H      -8.553047     -4.639796      7.016252
  H      -6.811142     -4.663915      6.726383
  H      -7.520460     -5.801604      7.894384
  H      -8.568443     -6.700246      3.857414
  H      -9.252612     -5.251593      4.577801
  H      -7.681055     -5.959360      1.748463
  H      -7.200103     -4.245213      1.579822
  H      -8.843875     -4.674577      2.106057
  H      -8.522233     -3.128508      3.907078
  H      -7.287675     -3.304300      5.170775
  H      -6.819351     -2.788285      3.533145
  H      -4.816374     -5.001755      8.782450
  H      -3.232101     -4.023766      8.840144
  H      -4.001772     -6.902262      5.899547
  H      -3.522797     -7.818090      7.326871
  H      -5.051271     -6.895586      7.341982
  H      -1.196415     -5.164204      7.845275
  H      -1.434829     -6.514538      6.733938
  H       0.291016     -5.555556      5.300636
  H       0.441659     -4.118534      6.315580
  H       0.077652     -3.929318      4.590887
  H      -2.918949     -2.929785      6.598187
  H      -1.232507     -2.889274      7.143310
  H      -1.628206     -2.401909      5.489327
  N      -4.808412     -3.232999      5.508204
  H      -5.039067     -2.238381      5.502699
  H      -4.949519     -3.626464      6.446539
86
Coordinates from ORCA-job orca E -5421.857561815269
  N      -4.041329     -3.196601      2.464812
  C      -4.071626     -3.932199      1.184466
  C      -3.207007     -5.179540      1.271772
  N      -3.697966     -5.970979      2.421255
  C      -4.902680     -6.764077      2.084611
  C      -5.762301     -6.785527      3.332583
  N      -5.929233     -5.398189      3.779196
  Mo     -4.253691     -4.350944      4.042763
  N      -2.470866     -5.009970      4.658020
  C      -1.748004     -6.029158      3.882688
  C      -2.685184     -6.847147      3.036124
  H      -1.217086     -6.723017      4.553169
  H      -0.978239     -5.546857      3.255382
  H      -3.222342     -7.564364      3.672145
  H      -2.135931     -7.422140      2.270385
  H      -6.727999     -7.263495      3.126239
  H      -5.291955     -7.389897      4.124641
  H      -5.442342     -6.261161      1.273313
  H      -4.615566     -7.771173      1.737533
  H      -3.716556     -3.308437      0.355166
  H      -5.110031     -4.209793      0.941030
  H      -2.165977     -4.890577      1.469045
  H      -3.238595     -5.773346      0.341745
  C      -1.212741      0.179720      0.764861
  C      -1.222295     -0.627826      1.835222
  C      -0.380004     -0.341152      3.048219
  C      -2.050738     -1.899755      1.861132
  C      -3.528990     -1.794629      2.343285
  C      -4.395184     -1.013039      1.333494
  C      -3.623529     -1.056207      3.662016
  C      -7.723359     -7.626107      6.054152
  C      -7.877258     -6.312891      5.828083
  C      -7.683926     -5.308342      6.928054
  C      -8.315032     -5.822719      4.469865
  C      -7.340906     -4.901776      3.658909
  C      -7.783745     -4.954731      2.181919
  C      -7.489919     -3.445155      4.106114
  C      -3.792756     -4.852124      8.416920
  C      -3.248214     -5.691904      7.521518
  C      -4.002506     -6.883378      7.004141
  C      -1.830527     -5.524853      7.025272
  C      -1.618294     -4.542209      5.831059
  C      -0.114051     -4.556074      5.467930
  C      -1.884979     -3.104847      6.278397
  H      -0.612323      1.091238      0.744624
  H      -1.798550     -0.046980     -0.128326
  H      -0.994056     -0.221086      3.954383
  H       0.217548      0.570275      2.917217
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  H      -1.545809     -2.624818      2.523229
  H      -2.052721     -2.331619      0.851262
  H      -4.046590      0.026638      1.287479
  H      -5.443118     -1.012684      1.664087
  H      -4.352145     -1.418343      0.314472
  H      -4.673680     -0.957100      3.975489
  H      -3.051018     -1.539345      4.458328
  H      -3.235063     -0.037263      3.535269
  H      -7.877862     -8.362945      5.263061
  H      -7.453711     -8.008563      7.040707
  H      -8.558228     -4.644660      7.019440
  H      -6.817054     -4.661987      6.725866
  H      -7.520049     -5.803899      7.893877
  H      -8.567651     -6.699912      3.855874
  H      -9.253485     -5.251951      4.576615
  H      -7.683275     -5.958745      1.748522
  H      -7.199027     -4.245778      1.579447
  H      -8.843406     -4.671685      2.106210
  H      -8.522934     -3.128749      3.906639
  H      -7.288237     -3.304043      5.170717
  H      -6.820149     -2.787680      3.533385
  H      -4.811882     -4.997446      8.782456
  H      -3.228756     -4.017238      8.836483
  H      -3.995313     -6.905631      5.903665
  H      -3.513597     -7.815215      7.334099
  H      -5.044281     -6.896992      7.346538
  H      -1.192284     -5.156673      7.842716
  H      -1.430541     -6.509977      6.734863
  H       0.290336     -5.559729      5.294128
  H       0.444936     -4.121253      6.306623
  H       0.079320     -3.934544      4.581890
  H      -2.913458     -2.926424      6.593325
  H      -1.223238     -2.880461      7.125731
  H      -1.632104     -2.404894      5.470667
  N      -4.807329     -3.232836      5.506910
  H      -5.040379     -2.238929      5.493896
  H      -4.947264     -3.620699      6.447537
86
Coordinates from ORCA-job orca E -5421.857608313337
  N      -4.037195     -3.200183      2.465025
  C      -4.063929     -3.935801      1.184640
  C      -3.201983     -5.184575      1.275270
  N      -3.697537     -5.975371      2.422967
  C      -4.903923     -6.764976      2.084772
  C      -5.764082     -6.785610      3.332436
  N      -5.927675     -5.398692      3.780871
  Mo     -4.251347     -4.352368      4.042271
  N      -2.470715     -5.016826      4.658957
  C      -1.749837     -6.039252      3.887256
  C      -2.688493     -6.854156      3.039591
  H      -1.223418     -6.734751      4.559982
  H      -0.975907     -5.561586      3.261463
  H      -3.229084     -7.568728      3.675775
  H      -2.140208     -7.431276      2.274759
  H      -6.730534     -7.262224      3.126248
  H      -5.294118     -7.391910      4.123296
  H      -5.441042     -6.260213      1.272912
  H      -4.620463     -7.773131      1.737560
  H      -3.703992     -3.313857      0.356045
  H      -5.102076     -4.210708      0.937365
  H      -2.161288     -4.896674      1.475835
  H      -3.230519     -5.778094      0.344837
  C      -1.218624      0.190896      0.772309
  C      -1.226353     -0.620946      1.839382
  C      -0.386743     -0.337438      3.055055
  C      -2.052287     -1.894866      1.859963
  C      -3.532126     -1.795087      2.342809
  C      -4.400079     -1.018053      1.330500
  C      -3.631541     -1.054378      3.660619
  C      -7.731518     -7.624934      6.051947
  C      -7.879920     -6.311012      5.826608
  C      -7.684869     -5.307978      6.927665
  C      -8.315020     -5.817854      4.468515
  C      -7.337808     -4.898678      3.659228
  C      -7.779999     -4.949645      2.181739
  C      -7.484877     -3.441830      4.106639
  C      -3.793878     -4.848225      8.411508
  C      -3.245640     -5.690622      7.520794
  C      -3.994991     -6.887278      7.008139
  C      -1.827354     -5.522153      7.027190
  C      -1.615357     -4.544862      5.828483
  C      -0.111679     -4.562982      5.463617
  C      -1.879789     -3.105214      6.270173
  H      -0.619891      1.103630      0.755137
  H      -1.804550     -0.034049     -0.121186
  H      -1.003710     -0.218223      3.959238
  H       0.212130      0.573523      2.926802
  H       0.297495     -1.178444      3.256052
  H      -1.544713     -2.620806      2.518863
  H      -2.054524     -2.321631      0.847908
  H      -4.050395      0.021139      1.279650
  H      -5.447711     -1.013645      1.662385
  H      -4.359497     -1.427150      0.312923
  H      -4.682560     -0.961558      3.973072
  H      -3.057307     -1.531747      4.459276
  H      -3.248200     -0.033716      3.532256
  H      -7.888662     -8.360632      5.260169
  H      -7.463337     -8.009047      7.038241
  H      -8.561195     -4.647413      7.023804
  H      -6.821333     -4.657995      6.723356
  H      -7.516208     -5.804586      7.892114
  H      -8.568081     -6.693794      3.852868
  H      -9.252129     -5.245013      4.575040
  H      -7.683715     -5.953779      1.747605
  H      -7.192748     -4.242763      1.579540
  H      -8.838526     -4.662265      2.106228
  H      -8.517122     -3.123791      3.906211
  H      -7.283407     -3.301590      5.171414
  H      -6.813694     -2.784897      3.534860
  H      -4.813644     -4.993515      8.775312
  H      -3.232471     -4.009911      8.827723
  H      -3.987311     -6.914810      5.907798
  H      -3.502681     -7.815313      7.343554
  H      -5.036973     -6.903573      7.349979
  H      -1.191109     -5.149934      7.844262
  H      -1.425319     -6.507761      6.740921
  H       0.290005     -5.567741      5.289849
  H       0.449225     -4.128878      6.301362
  H       0.082285     -3.942939      4.576595
  H      -2.905031     -2.925865      6.594983
  H      -1.210053     -2.874978      7.109687
  H      -1.636285     -2.411233      5.454654
  N      -4.803147     -3.233305      5.506586
  H      -5.037481     -2.239807      5.486742
  H      -4.940174     -3.616007      6.449528
86
Coordinates from ORCA-job orca E -5421.857678308171
  N      -4.034582     -3.202967      2.464576
  C      -4.056150     -3.939193      1.184271
  C      -3.198026     -5.190006      1.280331
  N      -3.699388     -5.978936      2.425903
  C      -4.907719     -6.764203      2.086117
  C      -5.768320     -6.783168      3.333457
  N      -5.928434     -5.396627      3.783108
  Mo     -4.251924     -4.350642      4.041473
  N      -2.474340     -5.022208      4.661541
  C      -1.755001     -6.047935      3.894034
  C      -2.694992     -6.860424      3.045419
  H      -1.232760     -6.744653      4.569198
  H      -0.976844     -5.575388      3.269463
  H      -3.239317     -7.571676      3.682094
  H      -2.147520     -7.440347      2.282097
  H      -6.735459     -7.258579      3.127437
  H      -5.299238     -7.391312      4.123468
  H      -5.441988     -6.257479      1.273550
  H      -4.628773     -7.773728      1.738972
  H      -3.688293     -3.319890      0.357299
  H      -5.094029     -4.209697      0.930912
  H      -2.157823     -4.902889      1.484873
  H      -3.222173     -5.783934      0.349910
  C      -1.215308      0.192194      0.776407
  C      -1.227074     -0.617736      1.844933
  C      -0.395246     -0.331203      3.065205
  C      -2.051156     -1.893408      1.864235
  C      -3.534811     -1.795235      2.340455
  C      -4.399278     -1.023410      1.320399
  C      -3.642781     -1.048456      3.655034
  C      -7.736438     -7.625095      6.046753
  C      -7.879212     -6.310046      5.824746
  C      -7.676980     -5.310553      6.927721
  C      -8.316113     -5.811220      4.469231
  C      -7.337097     -4.893558      3.659994
  C      -7.779794     -4.943783      2.182517
  C      -7.483324     -3.436202      4.106710
  C      -3.792014     -4.856170      8.411964
  C      -3.239491     -5.695342      7.520718
  C      -3.981944     -6.896096      7.008003
  C      -1.821591     -5.519629      7.028317
  C      -1.615312     -4.544941      5.826102
  C      -0.113342     -4.561952      5.455624
  C      -1.881360     -3.104373      6.264832
  H      -0.617932      1.105842      0.760058
  H      -1.796845     -0.035844     -0.119121
  H      -1.018813     -0.211077      3.964684
  H       0.203517      0.580029      2.938790
  H       0.287791     -1.171711      3.272272
  H      -1.544631     -2.615546      2.527887
  H      -2.048398     -2.322029      0.853137
  H      -4.044499      0.013820      1.262926
  H      -5.447600     -1.010110      1.650164
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  H      -3.070037     -1.518362      4.459298
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  H      -8.572138     -6.684607      3.851198
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  H      -7.687217     -5.947944      1.747601
  H      -7.191559     -4.238241      1.579900
  H      -8.837535     -4.653074      2.108314
  H      -8.515454     -3.117825      3.906683
  H      -7.280479     -3.295472      5.171115
  H      -6.812542     -2.779457      3.534142
  H      -4.811376     -5.005816      8.775150
  H      -3.234063     -4.016056      8.829231
  H      -3.975537     -6.923827      5.907721
  H      -3.484003     -7.820690      7.344479
  H      -5.023758     -6.918070      7.350604
  H      -1.187731     -5.142381      7.844858
  H      -1.414359     -6.503862      6.744490
  H       0.288145     -5.566201      5.278366
  H       0.450600     -4.128601      6.291673
  H       0.076659     -3.940891      4.568309
  H      -2.902620     -2.928176      6.603624
  H      -1.201902     -2.867299      7.094702
  H      -1.652292     -2.414385      5.441961
  N      -4.802150     -3.231277      5.506170
  H      -5.036097     -2.237862      5.478322
  H      -4.939615     -3.609061      6.450765
86
Coordinates from ORCA-job orca E -5421.857788670400
  N      -4.026226     -3.210063      2.463074
  C      -4.039491     -3.947533      1.183055
  C      -3.188281     -5.202123      1.287915
  N      -3.700072     -5.987193      2.430199
  C      -4.911938     -6.764612      2.087280
  C      -5.774629     -6.779726      3.333243
  N      -5.927638     -5.393679      3.785280
  Mo     -4.250265     -4.350171      4.040455
  N      -2.477970     -5.033243      4.667150
  C      -1.762025     -6.064470      3.905051
  C      -2.704449     -6.873768      3.055741
  H      -1.245341     -6.762553      4.583534
  H      -0.978565     -5.599643      3.281234
  H      -3.255315     -7.578890      3.693457
  H      -2.158572     -7.459775      2.295889
  H      -6.743776     -7.250138      3.125064
  H      -5.310344     -7.392130      4.122764
  H      -5.441635     -6.254930      1.273493
  H      -4.639455     -7.776117      1.740462
  H      -3.658408     -3.331454      0.359653
  H      -5.076658     -4.211025      0.918937
  H      -2.148772     -4.916931      1.499313
  H      -3.205972     -5.797125      0.357945
  C      -1.225687      0.202554      0.777842
  C      -1.236680     -0.604712      1.848448
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  C      -2.050843     -1.887061      1.868032
  C      -3.538773     -1.797339      2.336851
  C      -4.403469     -1.034527      1.309465
  C      -3.659563     -1.046056      3.649110
  C      -7.747807     -7.621271      6.037541
  C      -7.879355     -6.304288      5.820285
  C      -7.663428     -5.310639      6.925816
  C      -8.317734     -5.796461      4.468438
  C      -7.333414     -4.883642      3.659334
  C      -7.774757     -4.931848      2.181582
  C      -7.474853     -3.425241      4.105137
  C      -3.790767     -4.865751      8.411468
  C      -3.232281     -5.703868      7.522832
  C      -3.967557     -6.908969      7.010703
  C      -1.814281     -5.521146      7.032558
  C      -1.613821     -4.550624      5.825501
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  C      -1.880392     -3.108946      6.261678
  H      -0.635907      1.121098      0.761977
  H      -1.801192     -0.032778     -0.119682
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  H      -2.039213     -2.319785      0.858792
  H      -4.044574      0.000850      1.241663
  H      -5.451698     -1.012546      1.639362
  H      -4.367025     -1.459720      0.298315
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  H      -3.087026     -1.506441      4.459233
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  H      -7.923098     -8.351189      5.244144
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  H      -8.540611     -4.654180      7.043912
  H      -6.806769     -4.655717      6.710681
  H      -7.476516     -5.814654      7.882958
  H      -8.582079     -6.665233      3.847522
  H      -9.246662     -5.212632      4.584815
  H      -7.687690     -5.936028      1.745455
  H      -7.182700     -4.228674      1.579935
  H      -8.830824     -4.635041      2.107152
  H      -8.505733     -3.103434      3.904333
  H      -7.271647     -3.284174      5.169387
  H      -6.802000     -2.770772      3.532278
  H      -4.810188     -5.019148      8.772870
  H      -3.237031     -4.022817      8.828807
  H      -3.959305     -6.939293      5.910629
  H      -3.466098     -7.829816      7.352134
  H      -5.010275     -6.934120      7.351184
  H      -1.184636     -5.135186      7.848323
  H      -1.399932     -6.504204      6.755038
  H       0.286495     -5.570114      5.265317
  H       0.454420     -4.135375      6.282227
  H       0.070640     -3.943092      4.561222
  H      -2.895229     -2.936763      6.621137
  H      -1.186240     -2.863989      7.077197
  H      -1.671777     -2.422650      5.430590
  N      -4.796207     -3.231845      5.507594
  H      -5.021783     -2.236584      5.473704
  H      -4.933993     -3.605197      6.453578
86
Coordinates from ORCA-job orca E -5421.857949419690
  N      -4.019643     -3.218114      2.459139
  C      -4.020601     -3.957118      1.179453
  C      -3.178672     -5.216462      1.295976
  N      -3.702971     -5.995490      2.435038
  C      -4.918981     -6.763467      2.088410
  C      -5.784146     -6.774617      3.332617
  N      -5.929647     -5.389316      3.788078
  Mo     -4.251113     -4.348160      4.037959
  N      -2.483853     -5.042329      4.672729
  C      -1.771862     -6.079687      3.915852
  C      -2.717389     -6.887475      3.068013
  H      -1.258217     -6.777282      4.597397
  H      -0.985405     -5.622454      3.290082
  H      -3.274785     -7.585552      3.707489
  H      -2.173412     -7.480872      2.312435
  H      -6.755691     -7.238180      3.120176
  H      -5.327324     -7.392520      4.122057
  H      -5.444386     -6.249224      1.274636
  H      -4.652864     -7.776289      1.740215
  H      -3.620850     -3.343731      0.362934
  H      -5.056130     -4.211269      0.898972
  H      -2.139982     -4.933622      1.515440
  H      -3.189090     -5.813781      0.367348
  C      -1.226418      0.200104      0.778750
  C      -1.243717     -0.596409      1.857485
  C      -0.433102     -0.282410      3.085095
  C      -2.046886     -1.885629      1.883299
  C      -3.542150     -1.800857      2.330723
  C      -4.399779     -1.049361      1.288328
  C      -3.683843     -1.042148      3.638592
  C      -7.755725     -7.618521      6.026466
  C      -7.878910     -6.299657      5.815992
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  C      -8.321904     -5.781464      4.469684
  C      -7.332561     -4.872395      3.660389
  C      -7.773094     -4.916274      2.182797
  C      -7.468836     -3.413909      4.108480
  C      -3.778575     -4.884314      8.420188
  C      -3.218631     -5.715008      7.525373
  C      -3.951553     -6.918446      7.006161
  C      -1.802031     -5.523011      7.033420
  C      -1.613611     -4.553899      5.822700
  C      -0.117365     -4.561806      5.433521
  C      -1.885470     -3.113084      6.260045
  H      -0.645024      1.123868      0.760839
  H      -1.788680     -0.048956     -0.123480
  H      -1.067781     -0.192481      3.980267
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  H      -6.791138     -4.659823      6.704060
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  H      -8.597046     -6.644298      3.845347
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  H      -7.177506     -4.213823      1.583531
  H      -8.827672     -4.613913      2.108587
  H      -8.499076     -3.088621      3.910067
  H      -7.262996     -3.274191      5.172333
  H      -6.795539     -2.760476      3.534785
  H      -4.796840     -5.043285      8.782420
  H      -3.226160     -4.043443      8.843567
  H      -3.947344     -6.941296      5.906000
  H      -3.447107     -7.839885      7.341568
  H      -4.993494     -6.946483      7.349757
  H      -1.175317     -5.128040      7.847240
  H      -1.379612     -6.503698      6.760117
  H       0.285949     -5.562712      5.242234
  H       0.457216     -4.131380      6.263834
  H       0.056085     -3.933881      4.547249
  H      -2.893653     -2.950120      6.641806
  H      -1.176863     -2.859658      7.060612
  H      -1.701136     -2.426594      5.423466
  N      -4.792407     -3.232350      5.508367
  H      -5.004276     -2.234157      5.470546
  H      -4.937986     -3.603718      6.453592
86
Coordinates from ORCA-job orca E -5421.858164663807
  N      -4.006487     -3.230829      2.451940
  C      -3.995698     -3.970471      1.172279
  C      -3.166780     -5.236803      1.299958
  N      -3.705082     -6.007891      2.436953
  C      -4.926383     -6.764933      2.087124
  C      -5.794333     -6.770846      3.329477
  N      -5.930110     -5.385670      3.787597
  Mo     -4.248313     -4.350429      4.033260
  N      -2.486614     -5.056636      4.676565
  C      -1.780963     -6.100896      3.922948
  C      -2.731187     -6.906799      3.078165
  H      -1.268914     -6.797480      4.606715
  H      -0.993629     -5.650899      3.293035
  H      -3.296282     -7.596760      3.719429
  H      -2.190266     -7.509508      2.327639
  H      -6.769503     -7.223796      3.111011
  H      -5.347773     -7.394912      4.119806
  H      -5.447966     -6.245446      1.274134
  H      -4.666177     -7.778769      1.737172
  H      -3.574781     -3.358624      0.365135
  H      -5.029201     -4.212728      0.872581
  H      -2.128095     -4.959552      1.527458
  H      -3.172901     -5.836996      0.373201
  C      -1.243691      0.210014      0.780677
  C      -1.260454     -0.575954      1.867238
  C      -0.463676     -0.235855      3.096923
  C      -2.042482     -1.877166      1.900898
  C      -3.544716     -1.806968      2.324198
  C      -4.399355     -1.068738      1.269593
  C      -3.711972     -1.047101      3.630537
  C      -7.762838     -7.607980      6.014658
  C      -7.878913     -6.287498      5.809932
  C      -7.632832     -5.307166      6.920948
  C      -8.325269     -5.760980      4.467910
  C      -7.329295     -4.858930      3.657111
  C      -7.766916     -4.899994      2.179285
  C      -7.457289     -3.399557      4.105218
  C      -3.757418     -4.895113      8.436266
  C      -3.204883     -5.724398      7.535655
  C      -3.946087     -6.923429      7.017472
  C      -1.790765     -5.532659      7.035019
  C      -1.611322     -4.566273      5.819928
  C      -0.118105     -4.569491      5.420251
  C      -1.884646     -3.125804      6.258618
  H      -0.678835      1.143893      0.761044
  H      -1.790269     -0.056644     -0.126235
  H      -1.100279     -0.176682      3.993295
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  H      -4.345197     -1.508208      0.264968
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  H      -3.141381     -1.482414      4.456835
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  H      -7.960412     -8.330465      5.220043
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  H      -6.771483     -4.661377      6.698539
  H      -7.438344     -5.822571      7.870416
  H      -8.614149     -6.618405      3.842470
  H      -9.240059     -5.158492      4.600616
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  H      -7.163836     -4.201445      1.582421
  H      -8.819068     -4.590078      2.101490
  H      -8.486099     -3.068986      3.907407
  H      -7.250493     -3.259711      5.168771
  H      -6.781363     -2.749710      3.530596
  H      -4.773630     -5.053390      8.804533
  H      -3.200664     -4.056909      8.859405
  H      -3.948810     -6.943589      5.917525
  H      -3.444682     -7.848145      7.348505
  H      -4.986158     -6.945192      7.367725
  H      -1.162433     -5.130172      7.844083
  H      -1.366192     -6.513656      6.766767
  H       0.286023     -5.568751      5.222290
  H       0.463143     -4.140062      6.246491
  H       0.045526     -3.938239      4.534368
  H      -2.885996     -2.970536      6.661021
  H      -1.161431     -2.865383      7.043906
  H      -1.723329     -2.437782      5.418442
  N      -4.781790     -3.240554      5.510615
  H      -4.970020     -2.237317      5.479519
  H      -4.934202     -3.615256      6.453185
86
Coordinates from ORCA-job orca E -5421.858421668135
  N      -3.991306     -3.247427      2.442895
  C      -3.967941     -3.985886      1.162929
  C      -3.153507     -5.259553      1.301405
  N      -3.705799     -6.020927      2.438366
  C      -4.932183     -6.767637      2.084846
  C      -5.803844     -6.770279      3.324722
  N      -5.930291     -5.385319      3.787014
  Mo     -4.243978     -4.357234      4.028579
  N      -2.485706     -5.070232      4.679083
  C      -1.787382     -6.121787      3.927634
  C      -2.742807     -6.926182      3.087802
  H      -1.274829     -6.816046      4.612945
  H      -1.001767     -5.677452      3.291531
  H      -3.315221     -7.608277      3.730783
  H      -2.204987     -7.538171      2.342426
  H      -6.782641     -7.211029      3.098004
  H      -5.368835     -7.401150      4.115857
  H      -5.450424     -6.241147      1.274209
  H      -4.675931     -7.781151      1.730962
  H      -3.525268     -3.373790      0.367326
  H      -4.998302     -4.216250      0.841969
  H      -2.114127     -4.990203      1.535711
  H      -3.158910     -5.863739      0.377401
  C      -1.269936      0.222904      0.788783
  C      -1.279264     -0.555173      1.881129
  C      -0.493508     -0.188874      3.110351
  C      -2.035281     -1.869825      1.922943
  C      -3.544313     -1.817195      2.317871
  C      -4.395143     -1.094796      1.250122
  C      -3.738709     -1.057327      3.623022
  C      -7.774740     -7.596698      6.006781
  C      -7.886971     -6.275292      5.805622
  C      -7.637196     -5.299188      6.919634
  C      -8.330364     -5.743400      4.464836
  C      -7.325495     -4.847316      3.656336
  C      -7.759271     -4.878519      2.177726
  C      -7.441847     -3.389220      4.111152
  C      -3.728034     -4.899681      8.455489
  C      -3.188500     -5.726048      7.544492
  C      -3.946997     -6.912268      7.020024
  C      -1.777180     -5.539774      7.033709
  C      -1.605866     -4.577169      5.814565
  C      -0.115136     -4.577007      5.404325
  C      -1.880897     -3.136578      6.251829
  H      -0.724825      1.168399      0.767762
  H      -1.801811     -0.060302     -0.121910
  H      -1.125414     -0.167961      4.011677
  H      -0.008810      0.790513      3.007231
  H       0.289061     -0.943700      3.297464
  H      -1.533865     -2.535258      2.647453
  H      -1.942747     -2.352461      0.939110
  H      -4.064172     -0.050430      1.173130
  H      -5.455621     -1.096725      1.540934
  H      -4.316558     -1.533103      0.246340
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  H      -3.163726     -1.479311      4.454101
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  H      -7.974136     -8.317000      5.210958
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  H      -6.766190     -4.664270      6.703223
  H      -7.453957     -5.818693      7.869124
  H      -8.629390     -6.596323      3.838072
  H      -9.239683     -5.132848      4.599286
  H      -7.690771     -5.882434      1.737631
  H      -7.144544     -4.185240      1.586011
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  H      -8.468467     -3.050276      3.915435
  H      -7.233978     -3.255160      5.175199
  H      -6.761478     -2.741856      3.538997
  H      -4.743002     -5.053444      8.829194
  H      -3.162722     -4.068725      8.881610
  H      -3.961513     -6.919158      5.919974
  H      -3.452356     -7.846518      7.334095
  H      -4.983153     -6.925893      7.381861
  H      -1.143899     -5.133421      7.837109
  H      -1.355254     -6.522414      6.767780
  H       0.290406     -5.575582      5.205537
  H       0.472341     -4.143959      6.224324
  H       0.038909     -3.947121      4.515798
  H      -2.877424     -2.988382      6.668665
  H      -1.146908     -2.867925      7.024137
  H      -1.739310     -2.447711      5.408364
  N      -4.770147     -3.256530      5.514782
  H      -4.936803     -2.249173      5.502289
  H      -4.932713     -3.643183      6.450899
86
Coordinates from ORCA-job orca E -5421.858684732192
  N      -3.972554     -3.265838      2.430208
  C      -3.940898     -4.002101      1.149835
  C      -3.143708     -5.285140      1.296578
  N      -3.709031     -6.035244      2.436184
  C      -4.941026     -6.772425      2.081391
  C      -5.814670     -6.770405      3.320114
  N      -5.931002     -5.384194      3.782624
  Mo     -4.237435     -4.366824      4.021493
  N      -2.481864     -5.085694      4.675661
  C      -1.794002     -6.146903      3.927327
  C      -2.756838     -6.947283      3.093469
  H      -1.283599     -6.839869      4.615273
  H      -1.008701     -5.710381      3.285532
  H      -3.337966     -7.619802      3.738830
  H      -2.224095     -7.570056      2.353350
  H      -6.797384     -7.199802      3.088849
  H      -5.387848     -7.405322      4.112456
  H      -5.455863     -6.239721      1.272627
  H      -4.689310     -7.786333      1.725285
  H      -3.479682     -3.391045      0.363707
  H      -4.968724     -4.220296      0.811495
  H      -2.101865     -5.028976      1.534451
  H      -3.155102     -5.893674      0.375637
  C      -1.304852      0.256595      0.818298
  C      -1.301561     -0.526758      1.906703
  C      -0.526584     -0.147856      3.139171
  C      -2.029154     -1.856080      1.942233
  C      -3.544107     -1.828772      2.310841
  C      -4.393433     -1.121111      1.233443
  C      -3.768004     -1.074518      3.615884
  C      -7.779660     -7.579011      6.001053
  C      -7.891117     -6.257197      5.801094
  C      -7.638701     -5.282779      6.916098
  C      -8.332297     -5.724583      4.459775
  C      -7.322403     -4.835472      3.650791
  C      -7.752933     -4.864406      2.171220
  C      -7.429342     -3.376932      4.105258
  C      -3.702201     -4.882790      8.465580
  C      -3.174593     -5.718440      7.556347
  C      -3.946476     -6.903365      7.046904
  C      -1.766730     -5.544034      7.032571
  C      -1.597894     -4.591221      5.805193
  C      -0.108594     -4.600041      5.387411
  C      -1.865128     -3.146920      6.233540
  H      -0.781738      1.214650      0.805894
  H      -1.823626     -0.033458     -0.097785
  H      -1.150255     -0.178262      4.045778
  H      -0.088951      0.855402      3.054791
  H       0.293739     -0.867210      3.303408
  H      -1.528408     -2.513214      2.675006
  H      -1.907692     -2.342247      0.962314
  H      -4.095145     -0.066404      1.166762
  H      -5.458891     -1.157887      1.503551
  H      -4.283854     -1.549990      0.228489
  H      -4.835063     -1.061286      3.887223
  H      -3.186640     -1.483568      4.449570
  H      -3.468554     -0.025668      3.486956
  H      -7.977917     -8.298109      5.203892
  H      -7.501936     -7.984792      6.976274
  H      -8.490658     -4.595754      7.040774
  H      -6.757495     -4.659617      6.705565
  H      -7.467315     -5.804218      7.866863
  H      -8.638338     -6.576407      3.834711
  H      -9.238908     -5.109586      4.592928
  H      -7.693950     -5.870932      1.735692
  H      -7.125519     -4.181914      1.580063
  H      -8.796942     -4.531084      2.082406
  H      -8.453933     -3.032273      3.907887
  H      -7.222571     -3.243603      5.169631
  H      -6.744405     -2.733943      3.534044
  H      -4.715205     -5.029012      8.847777
  H      -3.130678     -4.050309      8.880228
  H      -3.964662     -6.919111      5.947188
  H      -3.458903     -7.840197      7.364430
  H      -4.980492     -6.905239      7.414330
  H      -1.125431     -5.134520      7.827972
  H      -1.351895     -6.530924      6.771175
  H       0.291891     -5.602088      5.195611
  H       0.485574     -4.162497      6.200141
  H       0.042567     -3.978424      4.492740
  H      -2.857007     -2.997089      6.661138
  H      -1.120179     -2.870270      6.992099
  H      -1.738297     -2.463705      5.382823
  N      -4.753602     -3.273716      5.516482
  H      -4.896895     -2.262856      5.531337
  H      -4.916462     -3.675559      6.446433
86
Coordinates from ORCA-job orca E -5421.858957369192
  N      -3.949906     -3.288142      2.418245
  C      -3.907540     -4.021975      1.138155
  C      -3.129295     -5.314852      1.295150
  N      -3.709542     -6.051274      2.438056
  C      -4.946864     -6.778473      2.079504
  C      -5.823684     -6.773261      3.316073
  N      -5.929533     -5.386427      3.781214
  Mo     -4.227068     -4.381142      4.016378
  N      -2.472852     -5.102266      4.671584
  C      -1.797610     -6.177156      3.931269
  C      -2.769356     -6.970692      3.103415
  H      -1.294638     -6.870112      4.624607
  H      -1.008284     -5.753300      3.285930
  H      -3.360750     -7.631354      3.751905
  H      -2.243197     -7.605272      2.368636
  H      -6.809531     -7.192642      3.080415
  H      -5.403987     -7.412832      4.108371
  H      -5.455495     -6.237598      1.272265
  H      -4.701100     -7.792750      1.720291
  H      -3.427321     -3.414577      0.360212
  H      -4.932225     -4.228634      0.782678
  H      -2.084371     -5.075324      1.535455
  H      -3.149253     -5.928848      0.378175
  C      -1.352951      0.304730      0.861272
  C      -1.328116     -0.494706      1.937412
  C      -0.564215     -0.114751      3.176593
  C      -2.022752     -1.840833      1.955295
  C      -3.542842     -1.844207      2.302721
  C      -4.391928     -1.156115      1.214438
  C      -3.794070     -1.091279      3.604884
  C      -7.799539     -7.560945      6.003181
  C      -7.906142     -6.239163      5.800472
  C      -7.661142     -5.264060      6.916691
  C      -8.335016     -5.707707      4.454718
  C      -7.316255     -4.825414      3.650779
  C      -7.743396     -4.844168      2.169499
  C      -7.409663     -3.368067      4.110311
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  C      -3.160116     -5.702958      7.558363
  C      -3.943169     -6.882950      7.052945
  C      -1.753487     -5.540806      7.029473
  C      -1.583150     -4.602067      5.792186
  C      -0.094627     -4.627222      5.368905
  C      -1.840211     -3.151368      6.203300
  H      -0.854819      1.276154      0.864457
  H      -1.862416      0.015488     -0.060140
  H      -1.179058     -0.203084      4.085202
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  H      -7.991660     -8.279845      5.204309
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  H      -6.769597     -4.651498      6.717619
  H      -7.508014     -5.785175      7.870799
  H      -8.641356     -6.559629      3.829726
  H      -9.240904     -5.089818      4.579409
  H      -7.700621     -5.851804      1.734592
  H      -7.100034     -4.174492      1.580862
  H      -8.780903     -4.492539      2.076346
  H      -8.431197     -3.014012      3.914025
  H      -7.201014     -3.240822      5.175216
  H      -6.719041     -2.729427      3.541383
  H      -4.692852     -4.999564      8.851025
  H      -3.102296     -4.030448      8.876978
  H      -3.966586     -6.896413      5.952904
  H      -3.459909     -7.824269      7.363748
  H      -4.974566     -6.880525      7.426906
  H      -1.105665     -5.130398      7.818962
  H      -1.347009     -6.532440      6.772362
  H       0.297603     -5.635089      5.190612
  H       0.505566     -4.182805      6.173417
  H       0.058095     -4.019965      4.464835
  H      -2.827320     -2.994479      6.639845
  H      -1.085163     -2.863754      6.947169
  H      -1.726230     -2.481408      5.339971
  N      -4.734199     -3.292229      5.517426
  H      -4.870271     -2.281294      5.559860
  H      -4.892107     -3.710831      6.441422
86
Coordinates from ORCA-job orca E -5421.859241707608
  N      -3.928135     -3.306726      2.408211
  C      -3.875538     -4.037560      1.128149
  C      -3.118452     -5.342082      1.292622
  N      -3.712251     -6.066276      2.438166
  C      -4.955140     -6.783362      2.075859
  C      -5.832269     -6.775477      3.312147
  N      -5.928444     -5.387979      3.778491
  Mo     -4.214819     -4.396547      4.010156
  N      -2.461925     -5.122166      4.660402
  C      -1.800191     -6.211605      3.930243
  C      -2.782515     -6.994775      3.106400
  H      -1.309704     -6.907408      4.630129
  H      -1.002251     -5.803994      3.285091
  H      -3.382608     -7.644926      3.757636
  H      -2.265303     -7.638384      2.373206
  H      -6.820643     -7.189518      3.077773
  H      -5.414120     -7.417658      4.103245
  H      -5.456651     -6.233459      1.270278
  H      -4.717864     -7.798437      1.713210
  H      -3.377003     -3.437116      0.356284
  H      -4.897889     -4.230991      0.758295
  H      -2.069180     -5.123879      1.532505
  H      -3.150988     -5.959462      0.378388
  C      -1.386577      0.354209      0.910611
  C      -1.355226     -0.457952      1.976867
  C      -0.617659     -0.078556      3.232135
  C      -2.020284     -1.819521      1.970096
  C      -3.546037     -1.856332      2.296375
  C      -4.392232     -1.187865      1.194040
  C      -3.830090     -1.104727      3.592766
  C      -7.807429     -7.537357      6.013046
  C      -7.910843     -6.216485      5.803103
  C      -7.667776     -5.235791      6.915093
  C      -8.332910     -5.691900      4.452502
  C      -7.310593     -4.817385      3.648313
  C      -7.738381     -4.835023      2.166156
  C      -7.393464     -3.358580      4.104475
  C      -3.660246     -4.831463      8.460037
  C      -3.149956     -5.686213      7.558570
  C      -3.940562     -6.869082      7.072022
  C      -1.744504     -5.540423      7.023676
  C      -1.566900     -4.618027      5.774956
  C      -0.078569     -4.669415      5.351700
  C      -1.807686     -3.158904      6.165045
  H      -0.909206      1.335844      0.931561
  H      -1.878599      0.064801     -0.019984
  H      -1.247744     -0.188298      4.127798
  H      -0.243636      0.952846      3.190921
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  H      -1.854571     -2.282914      0.985117
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  H      -5.463240     -1.308308      1.415335
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  H      -3.241158     -1.481779      4.436715
  H      -3.576246     -0.044256      3.463514
  H      -7.996620     -8.258753      5.215410
  H      -7.545639     -7.940540      6.993545
  H      -8.506868     -4.530113      7.019101
  H      -6.770533     -4.630252      6.718458
  H      -7.523667     -5.752084      7.873274
  H      -8.636507     -6.547870      3.831406
  H      -9.239707     -5.073775      4.568746
  H      -7.712050     -5.845524      1.736322
  H      -7.083393     -4.180099      1.574175
  H      -8.769999     -4.467283      2.071300
  H      -8.413473     -2.999008      3.911215
  H      -7.178284     -3.230431      5.168079
  H      -6.701336     -2.726136      3.530701
  H      -4.672796     -4.959697      8.850119
  H      -3.077122     -3.998391      8.857004
  H      -3.969748     -6.894643      5.972088
  H      -3.458139     -7.808892      7.388731
  H      -4.969467     -6.861895      7.452382
  H      -1.088805     -5.131494      7.807169
  H      -1.349445     -6.538246      6.771864
  H       0.298620     -5.685555      5.188110
  H       0.526598     -4.222919      6.151238
  H       0.084280     -4.077619      4.439236
  H      -2.790709     -2.987645      6.606081
  H      -1.044902     -2.864171      6.897842
  H      -1.697799     -2.506449      5.287766
  N      -4.713290     -3.305225      5.512770
  H      -4.853522     -2.295735      5.572854
  H      -4.855894     -3.733808      6.435221
86
Coordinates from ORCA-job orca E -5421.859489220466
  N      -3.899057     -3.325418      2.404865
  C      -3.833352     -4.054917      1.125601
  C      -3.099180     -5.371412      1.299457
  N      -3.710439     -6.084143      2.443790
  C      -4.959468     -6.787622      2.073413
  C      -5.839414     -6.775115      3.307496
  N      -5.922926     -5.387919      3.776648
  Mo     -4.198159     -4.413191      4.008605
  N      -2.450704     -5.149203      4.655693
  C      -1.801936     -6.253861      3.938698
  C      -2.794521     -7.024307      3.115234
  H      -1.328873     -6.954377      4.646443
  H      -0.990658     -5.866183      3.297894
  H      -3.404343     -7.662625      3.769084
  H      -2.287262     -7.677049      2.383352
  H      -6.830541     -7.182941      3.074028
  H      -5.425267     -7.421721      4.097288
  H      -5.450069     -6.227546      1.268013
  H      -4.733784     -7.804096      1.707461
  H      -3.312968     -3.464618      0.360248
  H      -4.852460     -4.233833      0.739154
  H      -2.045992     -5.175865      1.541022
  H      -3.141526     -5.990265      0.386671
  C      -1.437970      0.411642      0.945863
  C      -1.394509     -0.409927      2.004329
  C      -0.677821     -0.030092      3.271369
  C      -2.022905     -1.789030      1.974030
  C      -3.551632     -1.867786      2.290354
  C      -4.400895     -1.226470      1.174389
  C      -3.867058     -1.113820      3.578407
  C      -7.823731     -7.510683      6.019591
  C      -7.913776     -6.189688      5.804610
  C      -7.664609     -5.207584      6.913844
  C      -8.328519     -5.666159      4.451009
  C      -7.298514     -4.803258      3.646671
  C      -7.727224     -4.816466      2.164096
  C      -7.365085     -3.342521      4.100066
  C      -3.653811     -4.817382      8.450523
  C      -3.144800     -5.681230      7.556785
  C      -3.936031     -6.866758      7.079052
  C      -1.738026     -5.545727      7.023554
  C      -1.550274     -4.639335      5.764353
  C      -0.062302     -4.717488      5.345045
  C      -1.775942     -3.171448      6.131960
  H      -0.984192      1.404066      0.979583
  H      -1.917407      0.118470      0.009997
  H      -1.324532     -0.143908      4.154614
  H      -0.308163      1.002957      3.236570
  H       0.184082     -0.699255      3.434431
  H      -1.504830     -2.432421      2.704444
  H      -1.845402     -2.232076      0.982520
  H      -4.218119     -0.144379      1.140007
  H      -5.470883     -1.381810      1.378434
  H      -4.179973     -1.622287      0.174397
  H      -4.937442     -1.183723      3.821369
  H      -3.276584     -1.470192      4.430748
  H      -3.634952     -0.049764      3.440847
  H      -8.018555     -8.231989      5.223010
  H      -7.567820     -7.914274      7.001416
  H      -8.497869     -4.494547      7.015976
  H      -6.762936     -4.608550      6.717161
  H      -7.525724     -5.721538      7.874047
  H      -8.634728     -6.522864      3.832121
  H      -9.231754     -5.042213      4.562973
  H      -7.720793     -5.827793      1.735404
  H      -7.061095     -4.174845      1.570175
  H      -8.751988     -4.429818      2.070655
  H      -8.381747     -2.972397      3.910170
  H      -7.142312     -3.214731      5.162022
  H      -6.668834     -2.719228      3.520800
  H      -4.667158     -4.939244      8.840544
  H      -3.068242     -3.982861      8.840967
  H      -3.965460     -6.900475      5.979024
  H      -3.452734     -7.803858      7.402420
  H      -4.964935     -6.859171      7.459432
  H      -1.080194     -5.135517      7.804474
  H      -1.348985     -6.548071      6.780005
  H       0.297995     -5.741610      5.193431
  H       0.546294     -4.272829      6.142901
  H       0.114387     -4.138662      4.426783
  H      -2.752876     -2.984402      6.580193
  H      -1.004278     -2.869921      6.852534
  H      -1.670700     -2.537387      5.240616
  N      -4.689669     -3.318731      5.512172
  H      -4.846188     -2.312468      5.583530
  H      -4.817944     -3.756156      6.433400
86
Coordinates from ORCA-job orca E -5421.859631621292
  N      -3.882557     -3.331718      2.407658
  C      -3.808137     -4.060381      1.128417
  C      -3.085045     -5.382053      1.306922
  N      -3.707926     -6.093070      2.445687
  C      -4.960184     -6.786584      2.067194
  C      -5.843402     -6.771989      3.298685
  N      -5.919190     -5.386542      3.772621
  Mo     -4.189737     -4.421708      4.008944
  N      -2.448311     -5.168093      4.655506
  C      -1.804414     -6.278481      3.944308
  C      -2.800485     -7.041560      3.116817
  H      -1.341490     -6.983099      4.655062
  H      -0.985048     -5.900282      3.308194
  H      -3.414828     -7.676418      3.769602
  H      -2.297235     -7.695916      2.383776
  H      -6.836016     -7.175153      3.063399
  H      -5.434187     -7.424000      4.086727
  H      -5.442566     -6.220604      1.260894
  H      -4.741833     -7.803980      1.699513
  H      -3.274919     -3.474863      0.368127
  H      -4.825120     -4.231433      0.732650
  H      -2.031191     -5.195553      1.553353
  H      -3.126400     -5.998475      0.392430
  C      -1.461807      0.435750      0.951954
  C      -1.416020     -0.384816      2.011303
  C      -0.712503      0.001076      3.283717
  C      -2.026007     -1.771983      1.973034
  C      -3.555542     -1.871401      2.287896
  C      -4.408554     -1.244481      1.166610
  C      -3.884143     -1.114695      3.571524
  C      -7.822917     -7.500106      6.019996
  C      -7.906316     -6.178841      5.804317
  C      -7.647844     -5.196803      6.911398
  C      -8.323272     -5.653935      4.451831
  C      -7.291691     -4.795087      3.645687
  C      -7.723989     -4.804911      2.164020
  C      -7.351314     -3.333880      4.099941
  C      -3.656301     -4.810356      8.447434
  C      -3.148819     -5.680794      7.559102
  C      -3.940587     -6.868366      7.088811
  C      -1.740425     -5.552082      7.027424
  C      -1.544936     -4.655596      5.761889
  C      -0.057443     -4.747319      5.346944
  C      -1.762429     -3.182885      6.116421
  H      -1.019603      1.433275      0.987172
  H      -1.933769      0.135612      0.014476
  H      -1.372088     -0.099920      4.159244
  H      -0.336924      1.031680      3.243980
  H       0.142385     -0.672403      3.463903
  H      -1.502747     -2.410245      2.703657
  H      -1.846358     -2.206883      0.978887
  H      -4.231134     -0.161643      1.129068
  H      -5.477483     -1.406441      1.370314
  H      -4.181224     -1.645497      0.170362
  H      -4.955009     -1.196182      3.808003
  H      -3.294462     -1.462161      4.428197
  H      -3.659506     -0.050204      3.426939
  H      -8.026923     -8.220916      5.225204
  H      -7.564614     -7.904397      7.000854
  H      -8.482451     -4.486069      7.020424
  H      -6.749677     -4.594999      6.707418
  H      -7.500849     -5.710074      7.870726
  H      -8.632698     -6.509801      3.833578
  H      -9.223322     -5.026025      4.566944
  H      -7.724108     -5.814931      1.732210
  H      -7.057801     -4.164032      1.569252
  H      -8.747246     -4.412878      2.075898
  H      -8.366334     -2.958410      3.912376
  H      -7.125444     -3.207539      5.161367
  H      -6.653503     -2.713767      3.518708
  H      -4.669456     -4.927850      8.839113
  H      -3.067904     -3.975853      8.833613
  H      -3.973671     -6.909032      5.989113
  H      -3.456137     -7.802673      7.418337
  H      -4.969027     -6.858812      7.470763
  H      -1.083242     -5.138506      7.807201
  H      -1.353556     -6.557297      6.792729
  H       0.294358     -5.775171      5.201433
  H       0.551822     -4.303777      6.144879
  H       0.127528     -4.174819      4.426228
  H      -2.734925     -2.985833      6.569594
  H      -0.985459     -2.879104      6.830695
  H      -1.658218     -2.558414      5.218149
  N      -4.678452     -3.323633      5.511510
  H      -4.850331     -2.319754      5.581031
  H      -4.790932     -3.761065      6.435086
86
Coordinates from ORCA-job orca E -5421.859750834249
  N      -3.872555     -3.331182      2.414470
  C      -3.792732     -4.060591      1.134762
  C      -3.074879     -5.384406      1.315882
  N      -3.706517     -6.098737      2.446710
  C      -4.960875     -6.783539      2.060647
  C      -5.847050     -6.767522      3.289560
  N      -5.917271     -5.383952      3.768095
  Mo     -4.186659     -4.425996      4.011209
  N      -2.451287     -5.182279      4.658092
  C      -1.809739     -6.295793      3.950660
  C      -2.806518     -7.054063      3.117894
  H      -1.353572     -7.003268      4.663074
  H      -0.984974     -5.923235      3.318330
  H      -3.424512     -7.687218      3.768740
  H      -2.304953     -7.708890      2.384302
  H      -6.840755     -7.166261      3.051237
  H      -5.443709     -7.425131      4.076169
  H      -5.436964     -6.213708      1.253235
  H      -4.747782     -7.801631      1.691963
  H      -3.250631     -3.477244      0.378980
  H      -4.808247     -4.226697      0.733182
  H      -2.022092     -5.199751      1.568901
  H      -3.109489     -5.996360      0.398006
  C      -1.468136      0.438899      0.941158
  C      -1.425635     -0.371432      2.008751
  C      -0.733370      0.030016      3.282520
  C      -2.024561     -1.762727      1.974040
  C      -3.555097     -1.870664      2.287719
  C      -4.409176     -1.250893      1.164417
  C      -3.888611     -1.109289      3.568031
  C      -7.814518     -7.503599      6.012594
  C      -7.894754     -6.181027      5.803617
  C      -7.627053     -5.205116      6.913681
  C      -8.319460     -5.648449      4.456285
  C      -7.289152     -4.789716      3.647059
  C      -7.726219     -4.796078      2.167223
  C      -7.345720     -3.328900      4.103400
  C      -3.664134     -4.806344      8.445335
  C      -3.156334     -5.680789      7.561077
  C      -3.948071     -6.868874      7.092842
  C      -1.745924     -5.555793      7.032178
  C      -1.544944     -4.666987      5.762160
  C      -0.058344     -4.766320      5.349433
  C      -1.757642     -3.190911      6.107422
  H      -1.033440      1.439828      0.969413
  H      -1.931907      0.125461      0.003829
  H      -1.401793     -0.052347      4.153449
  H      -0.353045      1.058265      3.230608
  H       0.116303     -0.644728      3.480625
  H      -1.501973     -2.395045      2.710021
  H      -1.843773     -2.199561      0.981309
  H      -4.217471     -0.170941      1.116967
  H      -5.478034     -1.400617      1.376435
  H      -4.189874     -1.666911      0.172801
  H      -4.960142     -1.192969      3.799269
  H      -3.300680     -1.453197      4.427246
  H      -3.664665     -0.045834      3.416074
  H      -8.028182     -8.220648      5.217046
  H      -7.550012     -7.912686      6.989864
  H      -8.465992     -4.501274      7.035671
  H      -6.735371     -4.596049      6.704050
  H      -7.467706     -5.723206      7.868406
  H      -8.635733     -6.500282      3.836268
  H      -9.215144     -5.016276      4.581322
  H      -7.725171     -5.803168      1.729036
  H      -7.065693     -4.148450      1.573137
  H      -8.751022     -4.406362      2.086209
  H      -8.359631     -2.950091      3.916524
  H      -7.120136     -3.203786      5.164950
  H      -6.646735     -2.710096      3.521986
  H      -4.677656     -4.921068      8.836719
  H      -3.073885     -3.972784      8.830814
  H      -3.979109     -6.915795      5.993450
  H      -3.466088     -7.801286      7.431035
  H      -4.978210     -6.854611      7.470455
  H      -1.091540     -5.136223      7.811344
  H      -1.358270     -6.562833      6.807520
  H       0.288897     -5.796280      5.208249
  H       0.552089     -4.322340      6.146176
  H       0.130399     -4.198247      4.426649
  H      -2.726098     -2.986631      6.565609
  H      -0.975897     -2.885624      6.816188
  H      -1.654623     -2.571945      5.205240
  N      -4.674293     -3.322968      5.511016
  H      -4.867446     -2.322352      5.569763
  H      -4.774205     -3.755503      6.438594
86
Coordinates from ORCA-job orca E -5421.859814889986
  N      -3.867152     -3.331295      2.417130
  C      -3.782445     -4.061943      1.136957
  C      -3.068826     -5.387543      1.320809
  N      -3.707490     -6.104256      2.445537
  C      -4.963725     -6.781691      2.053891
  C      -5.851441     -6.765937      3.281414
  N      -5.916933     -5.383690      3.764235
  Mo     -4.185787     -4.429836      4.010798
  N      -2.454533     -5.193025      4.657812
  C      -1.816660     -6.310812      3.953795
  C      -2.814242     -7.065183      3.117701
  H      -1.365060     -7.018912      4.668395
  H      -0.989176     -5.942870      3.322537
  H      -3.436373     -7.696851      3.765898
  H      -2.313449     -7.720972      2.384505
  H      -6.846464     -7.159181      3.039602
  H      -5.453715     -7.428639      4.066580
  H      -5.436139     -6.207594      1.247389
  H      -4.753586     -7.799477      1.682624
  H      -3.232409     -3.479366      0.386320
  H      -4.796098     -4.223563      0.728979
  H      -2.017560     -5.203366      1.580574
  H      -3.096964     -5.996451      0.400595
  C      -1.466842      0.438798      0.942319
  C      -1.430819     -0.364052      2.016076
  C      -0.752689      0.051387      3.293004
  C      -2.021798     -1.757835      1.983565
  C      -3.554288     -1.870841      2.286312
  C      -4.404409     -1.256515      1.158387
  C      -3.897396     -1.107105      3.563094
  C      -7.806034     -7.508396      6.006696
  C      -7.886383     -6.185004      5.802815
  C      -7.611890     -5.212851      6.914608
  C      -8.317979     -5.647167      4.459848
  C      -7.288759     -4.787666      3.648782
  C      -7.728902     -4.789172      2.170102
  C      -7.343138     -3.328395      4.109500
  C      -3.662119     -4.794070      8.444779
  C      -3.158789     -5.673084      7.562472
  C      -3.955731     -6.859810      7.099077
  C      -1.747731     -5.554719      7.032979
  C      -1.544009     -4.674656      5.757632
  C      -0.058484     -4.781051      5.343848
  C      -1.751317     -3.195698      6.094453
  H      -1.038528      1.442477      0.967584
  H      -1.918227      0.115509      0.002206
  H      -1.428033     -0.023795      4.159180
  H      -0.375551      1.080500      3.235174
  H       0.097797     -0.618151      3.504443
  H      -1.505482     -2.386352      2.727197
  H      -1.831139     -2.199290      0.994690
  H      -4.203844     -0.178698      1.103177
  H      -5.473715     -1.398795      1.372141
  H      -4.187125     -1.683369      0.171128
  H      -4.970471     -1.192631      3.786091
  H      -3.313688     -1.448566      4.425917
  H      -3.676063     -0.043606      3.408129
  H      -8.025728     -8.223336      5.211035
  H      -7.535841     -7.920126      6.981323
  H      -8.453272     -4.513416      7.045309
  H      -6.724106     -4.599677      6.700643
  H      -7.443991     -5.734430      7.865969
  H      -8.640733     -6.495365      3.838360
  H      -9.210343     -5.011839      4.592561
  H      -7.725946     -5.793773      1.726544
  H      -7.071627     -4.136283      1.577934
  H      -8.754849     -4.401524      2.093268
  H      -8.356177     -2.947097      3.922769
  H      -7.119819     -3.206405      5.172002
  H      -6.642777     -2.709167      3.530233
  H      -4.675208     -4.904048      8.838551
  H      -3.067622     -3.962453      8.827953
  H      -3.990437     -6.911070      6.000111
  H      -3.476771     -7.792553      7.440492
  H      -4.985101     -6.839031      7.478637
  H      -1.093894     -5.129336      7.809583
  H      -1.361296     -6.564158      6.817729
  H       0.285331     -5.812785      5.207592
  H       0.554754     -4.335190      6.137372
  H       0.131262     -4.218011      4.418142
  H      -2.716756     -2.985440      6.556319
  H      -0.965117     -2.888683      6.797652
  H      -1.650045     -2.581079      5.189028
  N      -4.670819     -3.323177      5.508828
  H      -4.880143     -2.325414      5.558486
  H      -4.756697     -3.749919      6.440468
86
Coordinates from ORCA-job orca E -5421.859851139970
  N      -3.868368     -3.328181      2.418270
  C      -3.782660     -4.060586      1.137880
  C      -3.068556     -5.385943      1.322492
  N      -3.709605     -6.105574      2.443662
  C      -4.966484     -6.779865      2.048960
  C      -5.855039     -6.766036      3.275706
  N      -5.918762     -5.384259      3.761250
  Mo     -4.188126     -4.431091      4.010104
  N      -2.458125     -5.195365      4.656878
  C      -1.822526     -6.316475      3.955318
  C      -2.819638     -7.068728      3.116962
  H      -1.373314     -7.023682      4.672026
  H      -0.994154     -5.950449      3.324251
  H      -3.444872     -7.700220      3.762249
  H      -2.317806     -7.724752      2.384688
  H      -6.850808     -7.155663      3.031046
  H      -5.460863     -7.431594      4.060119
  H      -5.438064     -6.202629      1.244261
  H      -4.756528     -7.796609      1.674742
  H      -3.230969     -3.477463      0.388934
  H      -4.795668     -4.221500      0.728614
  H      -2.018738     -5.199679      1.586521
  H      -3.091930     -5.992894      0.400795
  C      -1.454489      0.429816      0.941069
  C      -1.425656     -0.365833      2.020454
  C      -0.755732      0.059905      3.298415
  C      -2.016572     -1.758845      1.992947
  C      -3.550524     -1.868810      2.285946
  C      -4.394170     -1.254035      1.154825
  C      -3.898034     -1.102928      3.560203
  C      -7.798811     -7.517727      6.002909
  C      -7.882035     -6.193803      5.803622
  C      -7.606633     -5.224773      6.918102
  C      -8.318575     -5.652241      4.463832
  C      -7.292102     -4.789581      3.651824
  C      -7.735055     -4.787589      2.174126
  C      -7.347466     -3.331908      4.116352
  C      -3.659808     -4.785522      8.444339
  C      -3.158675     -5.666324      7.562568
  C      -3.958159     -6.852824      7.102138
  C      -1.747930     -5.550216      7.031901
  C      -1.544970     -4.674635      5.753743
  C      -0.060079     -4.783090      5.337680
  C      -1.750603     -3.194800      6.087655
  H      -1.026819      1.433832      0.962620
  H      -1.897804      0.100166     -0.000728
  H      -1.434524     -0.009400      4.162291
  H      -0.380009      1.089240      3.235171
  H       0.095400     -0.605934      3.518961
  H      -1.508148     -2.385820      2.743193
  H      -1.818219     -2.207628      1.008654
  H      -4.186671     -0.177832      1.095903
  H      -5.464245     -1.390434      1.367857
  H      -4.177609     -1.686357      0.169931
  H      -4.972321     -1.186639      3.777760
  H      -3.317628     -1.444470      4.424941
  H      -3.676940     -0.039535      3.404274
  H      -8.019214     -8.231075      5.206085
  H      -7.525330     -7.931463      6.975818
  H      -8.448668     -4.526821      7.051942
  H      -6.719357     -4.610626      6.704855
  H      -7.437024     -5.749601      7.867367
  H      -8.644538     -6.497982      3.840679
  H      -9.210219     -5.016910      4.601401
  H      -7.728166     -5.790407      1.726727
  H      -7.081337     -4.129687      1.583429
  H      -8.762759     -4.404146      2.100053
  H      -8.360753     -2.950946      3.929984
  H      -7.126327     -3.212274      5.179584
  H      -6.647437     -2.710622      3.539063
  H      -4.672523     -4.893831      8.839538
  H      -3.063964     -3.954111      8.825935
  H      -3.997168     -6.904612      6.003401
  H      -3.479030     -7.786024      7.441967
  H      -4.986022     -6.830348      7.485413
  H      -1.094318     -5.121019      7.806596
  H      -1.361487     -6.560599      6.821353
  H       0.283644     -5.815344      5.205201
  H       0.555038     -4.334240      6.128091
  H       0.128187     -4.223482      4.409609
  H      -2.716434     -2.982528      6.547843
  H      -0.964445     -2.887404      6.790602
  H      -1.647601     -2.580520      5.182167
  N      -4.672408     -3.320588      5.505270
  H      -4.897792     -2.325949      5.544890
  H      -4.752905     -3.740942      6.440302
86
Coordinates from ORCA-job orca E -5421.859868060691
  N      -3.869833     -3.327424      2.417250
  C      -3.782595     -4.060875      1.137044
  C      -3.068626     -5.386310      1.322752
  N      -3.711733     -6.106964      2.442218
  C      -4.968946     -6.779638      2.045681
  C      -5.858103     -6.767722      3.272043
  N      -5.920177     -5.386007      3.759350
  Mo     -4.189729     -4.432742      4.008915
  N      -2.460326     -5.196824      4.655570
  C      -1.826933     -6.320954      3.956159
  C      -2.824204     -7.071345      3.116988
  H      -1.379743     -7.027075      4.675091
  H      -0.997833     -5.956741      3.325095
  H      -3.452330     -7.702215      3.760110
  H      -2.321638     -7.728162      2.385868
  H      -6.854502     -7.154442      3.025697
  H      -5.465904     -7.434836      4.056001
  H      -5.440186     -6.199645      1.242824
  H      -4.758829     -7.795356      1.668759
  H      -3.229646     -3.477809      0.389010
  H      -4.794891     -4.221403      0.726081
  H      -2.019719     -5.199427      1.589949
  H      -3.089505     -5.992709      0.400596
  C      -1.446216      0.425824      0.947817
  C      -1.422945     -0.367211      2.029197
  C      -0.759626      0.062355      3.309371
  C      -2.013910     -1.759788      2.002402
  C      -3.549172     -1.868535      2.285178
  C      -4.385765     -1.254555      1.149002
  C      -3.904629     -1.101798      3.556420
  C      -7.796901     -7.521179      6.002787
  C      -7.881769     -6.197250      5.804296
  C      -7.606739     -5.228354      6.919193
  C      -8.319370     -5.655240      4.465169
  C      -7.294103     -4.791037      3.653697
  C      -7.738194     -4.784948      2.176161
  C      -7.349098     -3.334747      4.121919
  C      -3.655893     -4.777376      8.442382
  C      -3.155255     -5.660151      7.562319
  C      -3.955138     -6.848167      7.106059
  C      -1.745257     -5.544771      7.030020
  C      -1.544460     -4.673399      5.748690
  C      -0.060507     -4.784466      5.329244
  C      -1.748373     -3.192755      6.079375
  H      -1.018815      1.429980      0.969659
  H      -1.883419      0.094367      0.003804
  H      -1.440279     -0.010415      4.171392
  H      -0.388682      1.093504      3.246953
  H       0.094613     -0.598516      3.533065
  H      -1.511301     -2.386596      2.756711
  H      -1.808419     -2.212548      1.021163
  H      -4.179193     -0.178312      1.089294
  H      -5.456783     -1.391738      1.356426
  H      -4.163714     -1.687668      0.165772
  H      -4.980198     -1.186741      3.767458
  H      -3.328401     -1.441889      4.424408
  H      -3.685615     -0.037862      3.401196
  H      -8.016243     -8.234456      5.205617
  H      -7.522759     -7.934956      6.975499
  H      -8.447470     -4.528792      7.052022
  H      -6.717718     -4.616150      6.707118
  H      -7.439053     -5.753734      7.868507
  H      -8.646194     -6.500217      3.841331
  H      -9.211476     -5.020631      4.603391
  H      -7.730852     -5.786715      1.726437
  H      -7.084318     -4.125952      1.586858
  H      -8.766038     -4.401844      2.102898
  H      -8.362474     -2.953640      3.936169
  H      -7.129186     -3.217990      5.185819
  H      -6.649127     -2.711646      3.546663
  H      -4.668176     -4.885315      8.838787
  H      -3.060542     -3.944253      8.820996
  H      -3.997405     -6.900930      6.007449
  H      -3.474082     -7.780901      7.444411
  H      -4.981512     -6.826495      7.492999
  H      -1.091311     -5.112448      7.802593
  H      -1.358421     -6.555636      6.822461
  H       0.282302     -5.817401      5.199733
  H       0.556952     -4.333461      6.116616
  H       0.125968     -4.228045      4.398922
  H      -2.713803     -2.979243      6.539881
  H      -0.960817     -2.883828      6.779935
  H      -1.647165     -2.580038      5.172554
  N      -4.672639     -3.321376      5.503652
  H      -4.904123     -2.327982      5.538824
  H      -4.746433     -3.737231      6.441181
86
Coordinates from ORCA-job orca E -5421.859876060108
  N      -3.873157     -3.325420      2.416031
  C      -3.785945     -4.059449      1.136205
  C      -3.070299     -5.384059      1.322178
  N      -3.713282     -6.105475      2.441346
  C      -4.970061     -6.778601      2.044134
  C      -5.859473     -6.768457      3.270301
  N      -5.921581     -5.386817      3.758559
  Mo     -4.191652     -4.432357      4.008280
  N      -2.462004     -5.194455      4.654856
  C      -1.828999     -6.319791      3.956281
  C      -2.825776     -7.069543      3.116491
  H      -1.382780     -7.025362      4.676279
  H      -0.999494     -5.955820      3.325695
  H      -3.454796     -7.701063      3.758086
  H      -2.321989     -7.725874      2.385711
  H      -6.855928     -7.154586      3.023369
  H      -5.467451     -7.435832      4.054055
  H      -5.441557     -6.197217      1.242451
  H      -4.759363     -7.793540      1.665520
  H      -3.234746     -3.476522      0.386834
  H      -4.798439     -4.221517      0.726463
  H      -2.021881     -5.195979      1.590364
  H      -3.090064     -5.990505      0.400026
  C      -1.438233      0.420629      0.948826
  C      -1.417701     -0.371249      2.031028
  C      -0.755533      0.057936      3.311853
  C      -2.011621     -1.762559      2.005365
  C      -3.547356     -1.867477      2.284844
  C      -4.379419     -1.251092      1.146798
  C      -3.904011     -1.099948      3.554972
  C      -7.795142     -7.525729      6.002600
  C      -7.881688     -6.201809      5.805089
  C      -7.607874     -5.233297      6.920738
  C      -8.319753     -5.659446      4.466365
  C      -7.296340     -4.792958      3.655469
  C      -7.741498     -4.785674      2.178108
  C      -7.353104     -3.337233      4.125231
  C      -3.654358     -4.774034      8.442114
  C      -3.153815     -5.657267      7.562414
  C      -3.953216     -6.846451      7.108382
  C      -1.744423     -5.541457      7.028913
  C      -1.545380     -4.670264      5.746982
  C      -0.061653     -4.780682      5.326231
  C      -1.749855     -3.189937      6.078044
  H      -1.008646      1.423887      0.970411
  H      -1.874885      0.089722      0.004406
  H      -1.436594     -0.016699      4.173399
  H      -0.385466      1.089432      3.250269
  H       0.099344     -0.602056      3.535976
  H      -1.511869     -2.389512      2.761359
  H      -1.805390     -2.217920      1.025411
  H      -4.173902     -0.174528      1.089684
  H      -5.451107     -1.389402      1.350088
  H      -4.153501     -1.681618      0.163331
  H      -4.980090     -1.183995      3.763752
  H      -3.329781     -1.440768      4.423952
  H      -3.683687     -0.036180      3.400620
  H      -8.012874     -8.238577      5.204565
  H      -7.521039     -7.939918      6.975125
  H      -8.447472     -4.532275      7.052512
  H      -6.717314     -4.622679      6.710258
  H      -7.442356     -5.759259      7.870110
  H      -8.645137     -6.504468      3.841750
  H      -9.213282     -5.026800      4.604546
  H      -7.733174     -5.787190      1.727726
  H      -7.088464     -4.125844      1.588861
  H      -8.769848     -4.403862      2.105630
  H      -8.367413     -2.957949      3.940963
  H      -7.132388     -3.221334      5.189010
  H      -6.655087     -2.712032      3.549972
  H      -4.666138     -4.882652      8.839640
  H      -3.059596     -3.939876      8.819378
  H      -3.998808     -6.898430      6.009812
  H      -3.469540     -7.778836      7.443994
  H      -4.978181     -6.826942      7.498924
  H      -1.089681     -5.109332      7.800832
  H      -1.357745     -6.552243      6.820570
  H       0.282061     -5.813462      5.198016
  H       0.555854     -4.328011      6.112647
  H       0.123692     -4.225368      4.395030
  H      -2.716447     -2.976810      6.536225
  H      -0.963807     -2.881236      6.780285
  H      -1.647173     -2.576899      5.171579
  N      -4.674443     -3.319813      5.501959
  H      -4.910890     -2.327417      5.533061
  H      -4.748620     -3.732522      6.440853
86
Coordinates from ORCA-job orca E -5421.859879872663
  N      -3.874276     -3.325055      2.415130
  C      -3.786310     -4.059195      1.135722
  C      -3.070407     -5.383654      1.322228
  N      -3.714006     -6.105052      2.441173
  C      -4.970504     -6.778255      2.043311
  C      -5.860209     -6.768921      3.269286
  N      -5.921846     -5.387457      3.758215
  Mo     -4.192178     -4.432505      4.008034
  N      -2.462954     -5.194082      4.654879
  C      -1.830167     -6.320055      3.956828
  C      -2.826929     -7.069227      3.116716
  H      -1.384915     -7.025628      4.677474
  H      -0.999945     -5.956642      3.326929
  H      -3.456529     -7.700719      3.757794
  H      -2.322844     -7.725643      2.386180
  H      -6.856716     -7.154700      3.022250
  H      -5.468196     -7.436472      4.052906
  H      -5.441846     -6.196000      1.242157
  H      -4.759864     -7.792848      1.663785
  H      -3.235327     -3.476911      0.385675
  H      -4.798688     -4.221831      0.725768
  H      -2.022173     -5.195511      1.591116
  H      -3.089645     -5.990286      0.400175
  C      -1.435269      0.419252      0.950305
  C      -1.416685     -0.372061      2.032881
  C      -0.756032      0.056497      3.314647
  C      -2.011111     -1.763333      2.007077
  C      -3.547316     -1.867481      2.284433
  C      -4.376523     -1.250903      1.144221
  C      -3.906689     -1.099494      3.553388
  C      -7.795016     -7.527066      6.002458
  C      -7.881624     -6.203098      5.805329
  C      -7.607635     -5.234916      6.921203
  C      -8.319536     -5.660366      4.466694
  C      -7.296644     -4.793187      3.656426
  C      -7.742269     -4.784227      2.179093
  C      -7.353411     -3.337856      4.127588
  C      -3.654119     -4.771947      8.441318
  C      -3.153088     -5.655830      7.562530
  C      -3.951818     -6.845793      7.109601
  C      -1.743908     -5.539831      7.028557
  C      -1.545547     -4.669163      5.745920
  C      -0.062164     -4.780370      5.324422
  C      -1.749791     -3.188615      6.076120
  H      -1.005103      1.422285      0.972240
  H      -1.870961      0.088439      0.005445
  H      -1.437434     -0.021973      4.175562
  H      -0.388405      1.088976      3.255038
  H       0.100354     -0.601765      3.538156
  H      -1.512054     -2.389658      2.764025
  H      -1.804686     -2.219418      1.027531
  H      -4.172957     -0.173888      1.088874
  H      -5.448724     -1.390963      1.343641
  H      -4.146556     -1.679686      0.160917
  H      -4.983140     -1.184570      3.759916
  H      -3.334205     -1.439596      4.423860
  H      -3.686231     -0.035720      3.399385
  H      -8.012453     -8.239410      5.203870
  H      -7.521119     -7.941770      6.974807
  H      -8.446192     -4.532621      7.052753
  H      -6.716097     -4.625468      6.711299
  H      -7.443200     -5.761079      7.870661
  H      -8.644259     -6.505394      3.841702
  H      -9.213669     -5.028563      4.604865
  H      -7.735108     -5.785430      1.727957
  H      -7.088617     -4.124817      1.590131
  H      -8.770272     -4.401410      2.107224
  H      -8.368133     -2.959048      3.944722
  H      -7.131441     -3.222950      5.191221
  H      -6.656461     -2.711603      3.552195
  H      -4.665794     -4.880874      8.839023
  H      -3.059962     -3.936929      8.817626
  H      -3.997878     -6.897966      6.011006
  H      -3.467116     -7.777743      7.444951
  H      -4.976498     -6.827292      7.500885
  H      -1.088695     -5.107673      7.800017
  H      -1.357256     -6.550594      6.820014
  H       0.280989     -5.813410      5.196748
  H       0.555717     -4.327434      6.110374
  H       0.122984     -4.225821      4.392721
  H      -2.715839     -2.975253      6.535294
  H      -0.962886     -2.879282      6.777105
  H      -1.648731     -2.576649      5.168738
  N      -4.674498     -3.320440      5.502195
  H      -4.911572     -2.328093      5.531549
  H      -4.746748     -3.730920      6.442186
86
Coordinates from ORCA-job orca E -5421.859881357828
  N      -3.875507     -3.324452      2.414563
  C      -3.787264     -4.058561      1.135383
  C      -3.070869     -5.382765      1.321986
  N      -3.714364     -6.104238      2.440950
  C      -4.970554     -6.777821      2.042961
  C      -5.860177     -6.768840      3.268980
  N      -5.921997     -5.387586      3.758191
  Mo     -4.192680     -4.432071      4.007881
  N      -2.463618     -5.193189      4.654838
  C      -1.830379     -6.318870      3.956533
  C      -2.826901     -7.068253      3.116232
  H      -1.385111     -7.024618      4.677009
  H      -1.000038     -5.955180      3.327013
  H      -3.456011     -7.700234      3.757284
  H      -2.322596     -7.724205      2.385432
  H      -6.856565     -7.155034      3.022144
  H      -5.467810     -7.436352      4.052478
  H      -5.442045     -6.195573      1.241875
  H      -4.759853     -7.792330      1.663279
  H      -3.236808     -3.476517      0.384755
  H      -4.799678     -4.221867      0.725683
  H      -2.022694     -5.194303      1.590894
  H      -3.089788     -5.989511      0.400001
  C      -1.432824      0.417477      0.949880
  C      -1.415540     -0.373365      2.032816
  C      -0.755453      0.054735      3.314990
  C      -2.010779     -1.764440      2.007187
  C      -3.547262     -1.867322      2.284139
  C      -4.375031     -1.249727      1.143274
  C      -3.906918     -1.099026      3.552845
  C      -7.794141     -7.527964      6.002871
  C      -7.880854     -6.203989      5.805820
  C      -7.606250     -5.235829      6.921516
  C      -8.319295     -5.661276      4.467334
  C      -7.296962     -4.793617      3.656912
  C      -7.743098     -4.784668      2.179730
  C      -7.354313     -3.338329      4.128282
  C      -3.654418     -4.771956      8.441455
  C      -3.153533     -5.655793      7.562516
  C      -3.952163     -6.845762      7.109574
  C      -1.744404     -5.539754      7.028299
  C      -1.546136     -4.668393      5.746011
  C      -0.062744     -4.779138      5.324732
  C      -1.750738     -3.187921      6.076557
  H      -1.002011      1.420236      0.971712
  H      -1.868332      0.086606      0.004971
  H      -1.437252     -0.024829      4.175500
  H      -0.388303      1.087413      3.256182
  H       0.101088     -0.603384      3.538353
  H      -1.512148     -2.390139      2.764897
  H      -1.805138     -2.221012      1.027767
  H      -4.171681     -0.172569      1.089841
  H      -5.447551     -1.390264      1.340620
  H      -4.143174     -1.677071      0.159779
  H      -4.983550     -1.183734      3.758526
  H      -3.335418     -1.439590      4.423817
  H      -3.685026     -0.035545      3.399065
  H      -8.011968     -8.240135      5.204231
  H      -7.519922     -7.942803      6.975056
  H      -8.444605     -4.533356      7.053499
  H      -6.714745     -4.626493      6.711114
  H      -7.441431     -5.761883      7.870968
  H      -8.643554     -6.506522      3.842409
  H      -9.213717     -5.029974      4.605872
  H      -7.736301     -5.785840      1.728503
  H      -7.089735     -4.125209      1.590527
  H      -8.771107     -4.401732      2.108494
  H      -8.369491     -2.960292      3.946460
  H      -7.131143     -3.223345      5.191642
  H      -6.658479     -2.711475      3.552171
  H      -4.665955     -4.881038      8.839463
  H      -3.060111     -3.937108      8.817903
  H      -3.998644     -6.897719      6.010984
  H      -3.467179     -7.777637      7.444730
  H      -4.976757     -6.827480      7.501144
  H      -1.088822     -5.108255      7.799826
  H      -1.357958     -6.550425      6.818991
  H       0.280631     -5.812084      5.196930
  H       0.554754     -4.326150      6.110941
  H       0.122509     -4.224449      4.393122
  H      -2.716698     -2.974683      6.535934
  H      -0.963929     -2.878748      6.777745
  H      -1.649708     -2.576024      5.169140
  N      -4.674959     -3.320046      5.502098
  H      -4.912704     -2.327773      5.529607
  H      -4.747185     -3.728922      6.442755
