96
Coordinates from ORCA-job orca E -6715.671132310508
  N      -2.853599      0.599259      4.417623
  Mo     -3.589255      2.317473      5.090092
  N      -4.815774      1.477966      6.300806
  C      -4.357548      0.710089      7.439431
  C      -2.878398      0.368032      7.261797
  N      -2.185254      1.504309      6.625727
  C      -0.986100      1.040609      5.922120
  C      -1.434493      0.378464      4.595274
  C      -1.820716      2.499199      7.647248
  C      -1.844642      3.860654      6.962791
  N      -3.059299      3.847717      6.197332
  H      -0.865692      0.819607      3.763343
  H      -1.198911     -0.692034      4.635702
  H      -0.352872      1.904566      5.712836
  H      -0.424781      0.336478      6.548327
  H      -1.838725      4.665709      7.704432
  H      -0.969417      3.998636      6.305250
  H      -2.598461      2.507024      8.414310
  H      -0.853644      2.262370      8.102893
  H      -4.940409     -0.219152      7.550680
  H      -4.506292      1.295668      8.357895
  H      -2.782329     -0.507877      6.620080
  H      -2.414612      0.137291      8.227854
  C       0.212268     -1.725572     -2.051587
  C      -1.278315     -1.547563     -2.032408
  O      -1.922732     -1.538527     -3.072422
  C      -1.958928     -1.378921     -0.730846
  C      -3.341865     -1.191328     -0.768948
  C      -4.113316     -1.024731      0.367722
  O      -5.441038     -0.855998      0.222665
  C      -3.483466     -1.015554      1.642938
  C      -4.277564     -0.799203      2.831570
  O      -5.528020     -0.755723      2.775827
  C      -3.644933     -0.600592      4.212451
  C      -2.094682     -1.223977      1.675699
  C      -1.334137     -1.403342      0.537507
  O       0.002041     -1.606567      0.641939
  C      -9.917098      9.280628      5.868468
  C      -9.777715      8.007886      5.082694
  O     -10.733428      7.613960      4.382575
  C      -8.542461      7.258980      5.158663
  C      -7.504823      7.595305      6.048785
  C      -6.345385      6.862832      6.144056
  O      -5.364578      7.207840      7.019453
  C      -6.162066      5.713927      5.330322
  C      -5.042294      4.828113      5.430859
  O      -4.986529      3.784690      4.721164
  C      -3.863572      5.026980      6.326526
  C      -7.187952      5.391417      4.423405
  C      -8.350620      6.123265      4.326128
  O      -9.283313      5.726886      3.438118
  C     -12.470124      5.902705      6.665711
  C     -11.166845      6.243748      7.349174
  O     -11.088932      7.276398      8.007875
  C     -10.007552      5.340248      7.254799
  C      -8.952083      5.634942      8.128123
  C      -7.789573      4.894379      8.191545
  O      -6.834854      5.278166      9.058633
  C      -7.634752      3.766118      7.342181
  C      -6.388459      3.023367      7.365165
  O      -5.470411      3.319506      8.147206
  C      -6.202689      1.833884      6.422215
  C      -8.692805      3.465425      6.475523
  C      -9.849478      4.221938      6.405412
  O     -10.753218      3.810693      5.480532
  H       0.696419     -0.876479     -1.575808
  H       0.546675     -1.815567     -3.082506
  H       0.487226     -2.617696     -1.494281
  H      -3.829743     -1.185711     -1.731885
  H      -5.825590     -0.830538      1.137576
  H      -4.508913     -0.573336      4.895042
  H      -3.060089     -1.505717      4.430810
  H      -1.599347     -1.263065      2.630644
  H       0.262273     -1.603297      1.574183
  H     -10.051838      9.027189      6.920891
  H      -9.044153      9.916798      5.757857
  H     -10.805637      9.808435      5.528940
  H      -7.635591      8.442161      6.704969
  H      -5.665549      7.946656      7.566669
  H      -3.322806      5.943559      6.033930
  H      -4.184783      5.162999      7.369922
  H      -7.076818      4.524300      3.791899
  H     -10.052408      6.343839      3.551477
  H     -12.405074      6.184590      5.612206
  H     -12.731290      4.852787      6.772460
  H     -13.253606      6.514074      7.111248
  H      -9.061431      6.483746      8.786086
  H      -6.087021      4.633618      8.950150
  H      -6.590427      2.100185      5.436113
  H      -6.811023      1.005188      6.823087
  H      -8.638168      2.621169      5.808610
  H     -11.409274      4.496105      5.306591
  N      -2.501952      3.231702      3.503001
  N      -1.864102      3.768021      2.571957
  H      -0.908249      3.484985      2.355610
  H      -2.281250      4.504012      2.001980
96
Coordinates from ORCA-job orca E -6715.687847444712
  N      -2.840420      0.561932      4.454933
  Mo     -3.539431      2.302766      5.127784
  N      -4.788572      1.486533      6.360347
  C      -4.319788      0.719530      7.511542
  C      -2.848532      0.358703      7.324508
  N      -2.137681      1.487344      6.665667
  C      -0.944730      0.995703      5.942816
  C      -1.415337      0.323833      4.624137
  C      -1.752824      2.503848      7.675804
  C      -1.758472      3.855624      6.970572
  N      -2.982314      3.855209      6.206841
  H      -0.845960      0.752305      3.782936
  H      -1.196143     -0.753231      4.665017
  H      -0.301379      1.853478      5.719484
  H      -0.382901      0.290890      6.574556
  H      -1.735486      4.675168      7.701903
  H      -0.878854      3.966986      6.309736
  H      -2.527853      2.529674      8.450208
  H      -0.783495      2.256713      8.130754
  H      -4.910137     -0.205773      7.635883
  H      -4.455935      1.314496      8.429122
  H      -2.763198     -0.526070      6.687621
  H      -2.375289      0.130651      8.290663
  C       0.141431     -1.705444     -2.138288
  C      -1.340739     -1.448150     -2.061432
  O      -2.008818     -1.357826     -3.085991
  C      -2.010831     -1.295344     -0.730369
  C      -3.383890     -1.033734     -0.766620
  C      -4.156263     -0.869592      0.378491
  O      -5.471014     -0.626343      0.235175
  C      -3.530859     -0.942695      1.658226
  C      -4.321301     -0.730013      2.858830
  O      -5.564906     -0.618666      2.804270
  C      -3.679783     -0.609380      4.248906
  C      -2.152205     -1.224343      1.692392
  C      -1.391041     -1.401654      0.545590
  O      -0.060765     -1.680939      0.646220
  C      -9.936355      9.259815      5.782999
  C      -9.739123      8.004328      4.977968
  O     -10.669083      7.588611      4.249802
  C      -8.483160      7.271728      5.067069
  C      -7.458257      7.624641      5.968761
  C      -6.291105      6.893420      6.085046
  O      -5.329788      7.221818      6.995224
  C      -6.089526      5.741102      5.271758
  C      -4.969774      4.850403      5.404559
  O      -4.918294      3.774204      4.718001
  C      -3.788743      5.048686      6.302839
  C      -7.101590      5.404256      4.350043
  C      -8.276520      6.126849      4.242328
  O      -9.216580      5.696998      3.378204
  C     -12.559571      5.802505      6.650119
  C     -11.263612      6.189823      7.328589
  O     -11.199632      7.256451      7.939723
  C     -10.080086      5.290795      7.277366
  C      -9.032950      5.624999      8.149538
  C      -7.855174      4.899929      8.230197
  O      -6.889700      5.336532      9.064847
  C      -7.686837      3.744833      7.409207
  C      -6.419004      3.027600      7.440154
  O      -5.508096      3.354067      8.229816
  C      -6.191956      1.841685      6.490822
  C      -8.738186      3.403644      6.542971
  C      -9.904854      4.151949      6.447392
  O     -10.788271      3.730639      5.500877
  H       0.694728     -0.903072     -1.637895
  H       0.436452     -1.765112     -3.189708
  H       0.390915     -2.641811     -1.627103
  H      -3.866892     -0.965367     -1.739220
  H      -5.853004     -0.610591      1.159337
  H      -4.542255     -0.560316      4.932044
  H      -3.127628     -1.543183      4.454071
  H      -1.660586     -1.326854      2.656495
  H       0.191081     -1.728602      1.584632
  H     -10.091874      8.977263      6.835718
  H      -9.074153      9.930315      5.709700
  H     -10.836425      9.769777      5.428691
  H      -7.607672      8.476094      6.630442
  H      -5.646248      7.957588      7.547989
  H      -3.235731      5.955738      5.992758
  H      -4.113309      5.216763      7.341946
  H      -6.979665      4.521338      3.728320
  H     -10.012562      6.287523      3.527873
  H     -12.489122      6.034378      5.576234
  H     -12.812302      4.746730      6.801244
  H     -13.358845      6.427157      7.060688
  H      -9.154286      6.501039      8.782538
  H      -6.133441      4.691502      8.963519
  H      -6.593528      2.096418      5.503115
  H      -6.784404      0.998305      6.890606
  H      -8.661713      2.543565      5.882746
  H     -11.425136      4.433811      5.284952
  N      -2.423907      3.180721      3.548374
  N      -1.778974      3.699424      2.618591
  H      -0.821097      3.391047      2.383741
  H      -2.179937      4.457311      2.043796
96
Coordinates from ORCA-job orca E -6715.695569950236
  N      -2.829046      0.510377      4.507410
  Mo     -3.491023      2.272819      5.184857
  N      -4.753895      1.480965      6.451615
  C      -4.260413      0.732472      7.618963
  C      -2.797899      0.354132      7.408026
  N      -2.077580      1.470382      6.711874
  C      -0.899044      0.951800      5.959747
  C      -1.399215      0.261798      4.658829
  C      -1.669537      2.514992      7.699934
  C      -1.671809      3.854685      6.972718
  N      -2.909158      3.858481      6.223024
  H      -0.839428      0.675513      3.802358
  H      -1.194928     -0.820609      4.701685
  H      -0.254038      1.805149      5.714236
  H      -0.328198      0.254574      6.596202
  H      -1.631483      4.688240      7.691742
  H      -0.794789      3.945221      6.302742
  H      -2.434489      2.552112      8.487194
  H      -0.694412      2.262069      8.145801
  H      -4.853422     -0.188369      7.771084
  H      -4.377697      1.345832      8.529508
  H      -2.723930     -0.541537      6.780528
  H      -2.302128      0.138070      8.368313
  C       0.017280     -1.649442     -2.184394
  C      -1.442249     -1.286136     -2.074584
  O      -2.110150     -1.083556     -3.084713
  C      -2.108439     -1.160173     -0.720311
  C      -3.458932     -0.798473     -0.738958
  C      -4.218281     -0.646029      0.424759
  O      -5.511785     -0.302852      0.310782
  C      -3.592027     -0.839604      1.693325
  C      -4.370204     -0.641587      2.911589
  O      -5.599555     -0.438464      2.864364
  C      -3.715502     -0.627467      4.304469
  C      -2.234957     -1.220680      1.709596
  C      -1.491180     -1.386190      0.543956
  O      -0.176677     -1.768475      0.599664
  C      -9.938964      9.220667      5.724236
  C      -9.735241      7.942610      4.956863
  O     -10.678578      7.476400      4.272271
  C      -8.460408      7.221716      5.035719
  C      -7.427538      7.609710      5.913867
  C      -6.251760      6.882903      6.036460
  O      -5.274746      7.227973      6.929977
  C      -6.054909      5.708621      5.247219
  C      -4.923075      4.831265      5.399765
  O      -4.871803      3.721803      4.740076
  C      -3.734324      5.048313      6.286610
  C      -7.074310      5.335685      4.343812
  C      -8.260344      6.052934      4.233927
  O      -9.207055      5.608148      3.387858
  C     -12.589102      5.704731      6.506691
  C     -11.315670      6.146488      7.195406
  O     -11.282024      7.237763      7.765646
  C     -10.101864      5.263938      7.203991
  C      -9.074428      5.650978      8.077790
  C      -7.885552      4.938754      8.200028
  O      -6.929487      5.413625      9.027562
  C      -7.698714      3.750961      7.423281
  C      -6.419506      3.047637      7.492838
  O      -5.516181      3.421503      8.278373
  C      -6.164768      1.839746      6.577175
  C      -8.731481      3.358949      6.551789
  C      -9.906521      4.094496      6.413302
  O     -10.781323      3.625240      5.474254
  H       0.641225     -0.923745     -1.638157
  H       0.296641     -1.665718     -3.245189
  H       0.205160     -2.635248     -1.729192
  H      -3.935338     -0.639395     -1.709940
  H      -5.875824     -0.307644      1.249208
  H      -4.568539     -0.558593      4.996757
  H      -3.196967     -1.588760      4.484959
  H      -1.746557     -1.417048      2.668313
  H       0.077651     -1.895215      1.532651
  H     -10.058535      8.971281      6.794986
  H      -9.090506      9.912090      5.609205
  H     -10.862436      9.700400      5.377084
  H      -7.574317      8.481744      6.559048
  H      -5.589426      7.974176      7.475719
  H      -3.186348      5.953478      5.954597
  H      -4.056307      5.245786      7.323524
  H      -6.951051      4.433773      3.741215
  H      -9.992871      6.233579      3.527940
  H     -12.502820      5.892237      5.418790
  H     -12.821985      4.643355      6.688022
  H     -13.414519      6.328369      6.873504
  H      -9.218088      6.554159      8.675741
  H      -6.176562      4.749749      8.962318
  H      -6.573259      2.061143      5.581363
  H      -6.747002      0.994008      6.991709
  H      -8.630768      2.471845      5.921699
  H     -11.421245      4.319864      5.225549
  N      -2.349435      3.110602      3.619084
  N      -1.704573      3.613418      2.688662
  H      -0.758514      3.272538      2.411991
  H      -2.080047      4.403572      2.124808
96
Coordinates from ORCA-job orca E -6715.700440151357
  N      -2.842600      0.465368      4.524460
  Mo     -3.484115      2.241572      5.199394
  N      -4.771073      1.467536      6.476165
  C      -4.273027      0.730583      7.651064
  C      -2.816417      0.338730      7.435801
  N      -2.083695      1.445073      6.728561
  C      -0.911211      0.908851      5.972379
  C      -1.416476      0.207542      4.680935
  C      -1.673639      2.503275      7.706991
  C      -1.668465      3.838511      6.973468
  N      -2.901594      3.848637      6.219169
  H      -0.854176      0.609348      3.820794
  H      -1.225782     -0.877549      4.728184
  H      -0.263552      1.757908      5.721053
  H      -0.343286      0.217796      6.617917
  H      -1.626136      4.675907      7.688254
  H      -0.786482      3.920641      6.309150
  H      -2.439987      2.540841      8.492510
  H      -0.701511      2.244800      8.156299
  H      -4.871456     -0.184429      7.815090
  H      -4.383414      1.354291      8.555778
  H      -2.743493     -0.559574      6.811586
  H      -2.314657      0.127475      8.393957
  C       0.019560     -1.577295     -2.156282
  C      -1.415143     -1.130300     -2.056477
  O      -2.048548     -0.833925     -3.064196
  C      -2.106967     -1.032153     -0.705988
  C      -3.431068     -0.591247     -0.731387
  C      -4.201587     -0.455914      0.429861
  O      -5.471261     -0.035592      0.319632
  C      -3.605634     -0.751912      1.692766
  C      -4.394370     -0.571436      2.909169
  O      -5.607648     -0.291613      2.854233
  C      -3.754431     -0.646523      4.306926
  C      -2.273276     -1.211957      1.713691
  C      -1.524122     -1.360207      0.550086
  O      -0.232529     -1.822327      0.588027
  C     -10.003404      9.104752      5.475507
  C      -9.742608      7.838239      4.712592
  O     -10.645265      7.357239      3.983400
  C      -8.460839      7.133491      4.840678
  C      -7.461553      7.552590      5.741045
  C      -6.281855      6.841070      5.910989
  O      -5.335688      7.204440      6.831206
  C      -6.049814      5.657103      5.144795
  C      -4.914289      4.796714      5.344130
  O      -4.855915      3.667086      4.709016
  C      -3.740281      5.029156      6.246586
  C      -7.036935      5.251482      4.220030
  C      -8.231378      5.949826      4.068342
  O      -9.161642      5.469226      3.226245
  C     -12.573147      5.781069      6.741715
  C     -11.272382      6.196179      7.390453
  O     -11.199990      7.278838      7.969353
  C     -10.064921      5.295658      7.353834
  C      -9.015810      5.658562      8.207310
  C      -7.832957      4.927716      8.285875
  O      -6.841330      5.377309      9.084287
  C      -7.687919      3.748177      7.489582
  C      -6.416195      3.028172      7.526619
  O      -5.502928      3.380154      8.311290
  C      -6.176800      1.833378      6.596653
  C      -8.742559      3.381837      6.632970
  C      -9.906902      4.140940      6.532240
  O     -10.804806      3.711104      5.594794
  H       0.676205     -0.925238     -1.558031
  H       0.319485     -1.555106     -3.210707
  H       0.139193     -2.593966     -1.748208
  H      -3.876172     -0.355796     -1.700919
  H      -5.843068     -0.066265      1.257490
  H      -4.607153     -0.568099      4.998100
  H      -3.261444     -1.623781      4.468542
  H      -1.812965     -1.487057      2.666668
  H      -0.000166     -2.018393      1.514273
  H     -10.168813      8.844836      6.536926
  H      -9.162492      9.811374      5.409738
  H     -10.917236      9.571398      5.088944
  H      -7.636070      8.434497      6.364657
  H      -5.678926      7.950275      7.358914
  H      -3.191742      5.933326      5.911876
  H      -4.081503      5.245685      7.274252
  H      -6.886755      4.337827      3.643347
  H      -9.966382      6.079323      3.367370
  H     -12.521509      5.973362      5.652231
  H     -12.815904      4.721379      6.917061
  H     -13.377078      6.414307      7.137350
  H      -9.133606      6.555365      8.819290
  H      -6.105531      4.693506      8.983252
  H      -6.587096      2.060843      5.603246
  H      -6.760994      0.984052      7.002055
  H      -8.664513      2.507396      5.984299
  H     -11.418274      4.432707      5.361856
  N      -2.295511      3.050609      3.676279
  N      -1.635486      3.546769      2.755836
  H      -0.706814      3.178206      2.453865
  H      -1.971359      4.367814      2.210278
96
Coordinates from ORCA-job orca E -6715.704889812415
  N      -2.856616      0.443262      4.559596
  Mo     -3.460006      2.236407      5.230357
  N      -4.746302      1.488450      6.537867
  C      -4.229088      0.773891      7.714785
  C      -2.782731      0.362448      7.475400
  N      -2.048094      1.447696      6.740151
  C      -0.899393      0.885505      5.968132
  C      -1.435030      0.169112      4.699691
  C      -1.613458      2.516457      7.696047
  C      -1.610264      3.843659      6.951599
  N      -2.850914      3.860247      6.216885
  H      -0.882403      0.549932      3.824090
  H      -1.260940     -0.917829      4.757965
  H      -0.249165      1.724378      5.694270
  H      -0.327044      0.201081      6.615682
  H      -1.548992      4.686029      7.658383
  H      -0.736889      3.912911      6.274930
  H      -2.365793      2.562828      8.493231
  H      -0.637633      2.251361      8.131725
  H      -4.830517     -0.133773      7.905345
  H      -4.318342      1.412623      8.609959
  H      -2.727653     -0.542290      6.859894
  H      -2.261755      0.158886      8.424230
  C      -0.091245     -1.539926     -2.154021
  C      -1.495410     -1.017384     -2.025445
  O      -2.112925     -0.638835     -3.013441
  C      -2.182110     -0.939565     -0.669168
  C      -3.477188     -0.425241     -0.679051
  C      -4.241723     -0.297079      0.486562
  O      -5.486040      0.195311      0.393585
  C      -3.663579     -0.678048      1.734143
  C      -4.440455     -0.503887      2.958934
  O      -5.636687     -0.152324      2.922911
  C      -3.791631     -0.647104      4.345322
  C      -2.359379     -1.211417      1.738670
  C      -1.620555     -1.352632      0.570650
  O      -0.357370     -1.887430      0.587061
  C      -9.920617      9.107545      5.515559
  C      -9.685835      7.834357      4.758802
  O     -10.616115      7.341125      4.073516
  C      -8.401672      7.131842      4.851724
  C      -7.380345      7.566757      5.716948
  C      -6.203498      6.852427      5.874396
  O      -5.236300      7.224368      6.767896
  C      -5.996646      5.652397      5.128350
  C      -4.865305      4.792004      5.333660
  O      -4.826260      3.644682      4.725396
  C      -3.686544      5.036064      6.223194
  C      -7.002842      5.233848      4.231572
  C      -8.198010      5.933598      4.094949
  O      -9.151317      5.441978      3.288012
  C     -12.623544      5.607697      6.591748
  C     -11.340204      6.087827      7.225557
  O     -11.293673      7.203911      7.735746
  C     -10.110373      5.215494      7.250428
  C      -9.083416      5.648006      8.095009
  C      -7.883037      4.952295      8.221882
  O      -6.913811      5.467947      9.004305
  C      -7.702009      3.740331      7.483897
  C      -6.415256      3.049748      7.551145
  O      -5.508998      3.444928      8.321653
  C      -6.150562      1.840550      6.652693
  C      -8.737162      3.306407      6.636271
  C      -9.917262      4.028837      6.488232
  O     -10.793402      3.533690      5.563065
  H       0.603243     -0.958959     -1.529999
  H       0.204661     -1.485084     -3.207176
  H      -0.027333     -2.577064     -1.793707
  H      -3.903326     -0.125720     -1.637337
  H      -5.859626      0.148804      1.330970
  H      -4.631010     -0.560564      5.052098
  H      -3.316775     -1.635061      4.482067
  H      -1.917477     -1.550502      2.677478
  H      -0.142377     -2.138531      1.503609
  H     -10.043410      8.864373      6.584918
  H      -9.085439      9.813278      5.412525
  H     -10.847846      9.568492      5.158659
  H      -7.535620      8.459246      6.326731
  H      -5.566585      7.977440      7.291456
  H      -3.138977      5.934271      5.871796
  H      -4.024152      5.276349      7.246873
  H      -6.870229      4.309103      3.672414
  H      -9.946781      6.065702      3.436059
  H     -12.566302      5.734100      5.494508
  H     -12.843614      4.555758      6.822439
  H     -13.444722      6.244610      6.939802
  H      -9.231799      6.569822      8.657880
  H      -6.162456      4.792311      8.951100
  H      -6.565949      2.035048      5.655364
  H      -6.721850      0.989201      7.072451
  H      -8.626699      2.408482      6.029474
  H     -11.412700      4.230829      5.283139
  N      -2.255708      3.006973      3.728748
  N      -1.596162      3.494633      2.800703
  H      -0.702210      3.088875      2.454081
  H      -1.894493      4.348813      2.289035
96
Coordinates from ORCA-job orca E -6715.708842674393
  N      -2.861598      0.426442      4.584808
  Mo     -3.442015      2.229043      5.251457
  N      -4.732012      1.493536      6.572969
  C      -4.202923      0.795406      7.749364
  C      -2.762508      0.371852      7.496323
  N      -2.025842      1.445433      6.748843
  C      -0.890484      0.869834      5.970446
  C      -1.443454      0.142086      4.717508
  C      -1.582093      2.518012      7.695733
  C      -1.588787      3.845510      6.953764
  N      -2.831139      3.863013      6.228445
  H      -0.895291      0.507875      3.831827
  H      -1.278577     -0.945558      4.786318
  H      -0.239740      1.703333      5.682613
  H      -0.314242      0.190555      6.620030
  H      -1.521514      4.685675      7.662851
  H      -0.718945      3.918271      6.271709
  H      -2.326838      2.561894      8.499754
  H      -0.603215      2.251726      8.123640
  H      -4.804993     -0.108425      7.958303
  H      -4.278986      1.443178      8.638985
  H      -2.719560     -0.535376      6.884143
  H      -2.231497      0.169660      8.439969
  C      -0.164251     -1.517602     -2.165271
  C      -1.536493     -0.925162     -2.009880
  O      -2.132750     -0.473404     -2.979593
  C      -2.218413     -0.865366     -0.650608
  C      -3.484667     -0.284667     -0.642522
  C      -4.243879     -0.162395      0.526135
  O      -5.461165      0.397087      0.452427
  C      -3.688931     -0.618802      1.757284
  C      -4.457876     -0.450046      2.986434
  O      -5.636767     -0.038861      2.964775
  C      -3.808054     -0.651905      4.363009
  C      -2.413738     -1.217546      1.744695
  C      -1.681878     -1.353325      0.573348
  O      -0.448920     -1.952666      0.574100
  C      -9.915197      9.066079      5.461679
  C      -9.676571      7.781940      4.726248
  O     -10.609284      7.270841      4.057801
  C      -8.388848      7.090626      4.820701
  C      -7.364526      7.545726      5.671717
  C      -6.186140      6.838047      5.836251
  O      -5.214575      7.235110      6.712969
  C      -5.980606      5.623838      5.112701
  C      -4.845929      4.770706      5.328251
  O      -4.809381      3.614928      4.736086
  C      -3.672530      5.028007      6.218594
  C      -6.989767      5.187414      4.228523
  C      -8.186705      5.880895      4.084943
  O      -9.141814      5.379007      3.287157
  C     -12.624707      5.565807      6.560944
  C     -11.345326      6.064123      7.186172
  O     -11.307199      7.184360      7.686693
  C     -10.110383      5.199377      7.221891
  C      -9.087332      5.649058      8.061552
  C      -7.884351      4.960242      8.199842
  O      -6.917828      5.485889      8.977704
  C      -7.698964      3.741096      7.480176
  C      -6.410143      3.057774      7.562595
  O      -5.511412      3.472473      8.328895
  C      -6.133383      1.840055      6.680270
  C      -8.729576      3.290652      6.636310
  C      -9.912061      4.004869      6.476781
  O     -10.791112      3.488814      5.566258
  H       0.561358     -1.003979     -1.519781
  H       0.132710     -1.435156     -3.216028
  H      -0.156385     -2.569562     -1.847859
  H      -3.891376      0.072903     -1.588645
  H      -5.837386      0.339051      1.387354
  H      -4.638664     -0.568996      5.081420
  H      -3.342037     -1.645936      4.474316
  H      -1.992967     -1.612621      2.670441
  H      -0.253640     -2.251759      1.480678
  H     -10.027646      8.843777      6.535809
  H      -9.086301      9.775400      5.341628
  H     -10.847725      9.514603      5.104055
  H      -7.517261      8.450149      6.262655
  H      -5.546518      7.995410      7.224820
  H      -3.132519      5.930691      5.865707
  H      -4.020801      5.277558      7.237092
  H      -6.857368      4.254357      3.684243
  H      -9.930916      6.014941      3.415072
  H     -12.572061      5.681210      5.463023
  H     -12.831708      4.513503      6.798121
  H     -13.451373      6.197802      6.903642
  H      -9.241698      6.576834      8.611803
  H      -6.166525      4.810608      8.938354
  H      -6.546369      2.020009      5.679201
  H      -6.705566      0.989669      7.102947
  H      -8.612807      2.384992      6.043711
  H     -11.414617      4.177210      5.275291
  N      -2.222937      2.975155      3.791572
  N      -1.560552      3.466007      2.860274
  H      -0.702879      3.027838      2.472901
  H      -1.818838      4.355662      2.393028
96
Coordinates from ORCA-job orca E -6715.712650900563
  N      -2.865879      0.417086      4.602903
  Mo     -3.421987      2.228583      5.263183
  N      -4.714550      1.503304      6.596100
  C      -4.175127      0.819962      7.770715
  C      -2.739769      0.383267      7.505604
  N      -2.000683      1.446314      6.748584
  C      -0.878090      0.858908      5.964521
  C      -1.450475      0.121086      4.725992
  C      -1.548726      2.518268      7.691915
  C      -1.570316      3.850374      6.959433
  N      -2.815007      3.867726      6.243755
  H      -0.907288      0.471229      3.829829
  H      -1.293573     -0.966863      4.806588
  H      -0.226229      1.686464      5.662464
  H      -0.297687      0.182723      6.613953
  H      -1.498265      4.684257      7.675969
  H      -0.704501      3.933386      6.271432
  H      -2.285475      2.556763      8.503567
  H      -0.565908      2.252195      8.110858
  H      -4.777324     -0.080110      7.998520
  H      -4.237408      1.475753      8.656128
  H      -2.712440     -0.526553      6.896831
  H      -2.201610      0.179869      8.445190
  C      -0.229302     -1.513452     -2.159712
  C      -1.571417     -0.858740     -1.993436
  O      -2.139399     -0.350012     -2.952531
  C      -2.251681     -0.809373     -0.636546
  C      -3.492476     -0.174440     -0.609814
  C      -4.246275     -0.056569      0.561322
  O      -5.439680      0.556032      0.505616
  C      -3.713542     -0.572244      1.777625
  C      -4.472612     -0.404862      3.011293
  O      -5.633643      0.058444      3.005699
  C      -3.820459     -0.653797      4.376713
  C      -2.464487     -1.223714      1.746921
  C      -1.738673     -1.356550      0.571823
  O      -0.534063     -2.008125      0.557311
  C      -9.896567      9.050586      5.438815
  C      -9.662453      7.761456      4.710153
  O     -10.598637      7.254803      4.043759
  C      -8.376814      7.069183      4.807359
  C      -7.347707      7.535044      5.647739
  C      -6.167992      6.831353      5.815230
  O      -5.190973      7.249805      6.674464
  C      -5.964899      5.606778      5.108555
  C      -4.827652      4.756602      5.328389
  O      -4.792919      3.596895      4.747300
  C      -3.660323      5.023563      6.221466
  C      -6.978263      5.160585      4.234878
  C      -8.175805      5.850221      4.086800
  O      -9.131295      5.336918      3.296950
  C     -12.635386      5.506280      6.522997
  C     -11.360021      6.026971      7.137825
  O     -11.331866      7.155759      7.620038
  C     -10.119113      5.173662      7.183850
  C      -9.100889      5.644083      8.018871
  C      -7.892723      4.968109      8.171227
  O      -6.937008      5.511040      8.949609
  C      -7.694065      3.742096      7.468628
  C      -6.400824      3.067299      7.564040
  O      -5.507705      3.494352      8.327483
  C      -6.114228      1.841769      6.695276
  C      -8.718903      3.272054      6.628669
  C      -9.908147      3.971060      6.457407
  O     -10.785429      3.428944      5.561233
  H       0.515813     -1.055713     -1.494915
  H       0.079261     -1.416338     -3.205634
  H      -0.276676     -2.572810     -1.872100
  H      -3.882749      0.229249     -1.543949
  H      -5.820799      0.485768      1.435904
  H      -4.641203     -0.577826      5.107829
  H      -3.358467     -1.651223      4.463475
  H      -2.062299     -1.661770      2.661280
  H      -0.354595     -2.346918      1.452914
  H     -10.010970      8.836768      6.514011
  H      -9.064347      9.755339      5.316457
  H     -10.826375      9.501993      5.078229
  H      -7.495693      8.449698      6.223412
  H      -5.521968      8.016132      7.178087
  H      -3.129389      5.933258      5.870931
  H      -4.023252      5.278980      7.234660
  H      -6.848213      4.221325      3.700580
  H      -9.921144      5.971688      3.413880
  H     -12.585752      5.605158      5.423542
  H     -12.829501      4.455212      6.774448
  H     -13.467760      6.135272      6.856890
  H      -9.265541      6.577017      8.557100
  H      -6.178904      4.845238      8.927027
  H      -6.523899      2.011288      5.690555
  H      -6.690215      0.993939      7.120031
  H      -8.591976      2.358803      6.050102
  H     -11.419057      4.102878      5.259034
  N      -2.203955      2.948039      3.848926
  N      -1.544397      3.445680      2.909428
  H      -0.727552      2.977742      2.481830
  H      -1.766851      4.365672      2.491396
96
Coordinates from ORCA-job orca E -6715.716335890766
  N      -2.858785      0.415392      4.617807
  Mo     -3.396216      2.235111      5.268304
  N      -4.695281      1.514674      6.605039
  C      -4.151831      0.841703      7.780094
  C      -2.718896      0.394681      7.510991
  N      -1.974880      1.451505      6.750789
  C      -0.859102      0.855688      5.965251
  C      -1.444935      0.109331      4.735885
  C      -1.520426      2.520508      7.697392
  C      -1.557750      3.860533      6.979296
  N      -2.803305      3.875744      6.267938
  H      -0.903400      0.445395      3.832623
  H      -1.293794     -0.978459      4.828431
  H      -0.205599      1.678247      5.652969
  H      -0.276769      0.181108      6.614846
  H      -1.486213      4.685316      7.706917
  H      -0.693723      3.959097      6.289035
  H      -2.252364      2.550534      8.513971
  H      -0.534489      2.256661      8.110297
  H      -4.753635     -0.055670      8.021945
  H      -4.205461      1.503210      8.662791
  H      -2.704263     -0.516839      6.904413
  H      -2.180398      0.188080      8.449829
  C      -0.289494     -1.533806     -2.169870
  C      -1.604036     -0.826900     -1.989982
  O      -2.149658     -0.274747     -2.939132
  C      -2.277314     -0.781321     -0.633771
  C      -3.495428     -0.101668     -0.587193
  C      -4.241100      0.017498      0.587739
  O      -5.412340      0.674770      0.548769
  C      -3.725981     -0.541671      1.792202
  C      -4.472882     -0.370645      3.032104
  O      -5.617690      0.132639      3.041621
  C      -3.817535     -0.652387      4.387939
  C      -2.500568     -1.236353      1.742240
  C      -1.782511     -1.372284      0.561524
  O      -0.604113     -2.067757      0.533181
  C      -9.899647      9.036477      5.419482
  C      -9.655625      7.744418      4.697165
  O     -10.587568      7.227102      4.034788
  C      -8.366355      7.061217      4.799748
  C      -7.337001      7.534300      5.636409
  C      -6.154902      6.834262      5.808290
  O      -5.178538      7.266037      6.660513
  C      -5.949288      5.604501      5.111321
  C      -4.810345      4.754974      5.334135
  O      -4.773746      3.595592      4.756964
  C      -3.651711      5.025794      6.236180
  C      -6.962717      5.152837      4.240816
  C      -8.160836      5.839108      4.087684
  O      -9.114281      5.320202      3.297801
  C     -12.644515      5.471727      6.492985
  C     -11.371893      6.000890      7.107904
  O     -11.351357      7.131499      7.587375
  C     -10.129615      5.152812      7.157303
  C      -9.114221      5.629764      7.994138
  C      -7.903787      4.960402      8.153021
  O      -6.954659      5.509454      8.936052
  C      -7.695026      3.734377      7.454553
  C      -6.397447      3.067223      7.559117
  O      -5.511894      3.502563      8.324853
  C      -6.097002      1.840361      6.694664
  C      -8.714971      3.257768      6.612602
  C      -9.908430      3.948644      6.435802
  O     -10.781514      3.396066      5.542898
  H       0.472886     -1.120536     -1.495056
  H       0.025447     -1.429717     -3.213258
  H      -0.383441     -2.595919     -1.903280
  H      -3.873980      0.336806     -1.510640
  H      -5.795075      0.599943      1.476520
  H      -4.630156     -0.585593      5.128942
  H      -3.355584     -1.651119      4.454187
  H      -2.112269     -1.706035      2.647112
  H      -0.436560     -2.436206      1.419178
  H     -10.013072      8.828311      6.495855
  H      -9.072358      9.746870      5.293344
  H     -10.832552      9.479337      5.056183
  H      -7.486155      8.453839      6.204301
  H      -5.510992      8.034792      7.159716
  H      -3.128444      5.943508      5.893374
  H      -4.034127      5.282672      7.243189
  H      -6.831904      4.210696      3.710866
  H      -9.902801      5.954515      3.399932
  H     -12.593194      5.569210      5.393147
  H     -12.832323      4.419758      6.746381
  H     -13.480550      6.097235      6.824578
  H      -9.284623      6.563286      8.530108
  H      -6.192580      4.851737      8.920649
  H      -6.501666      2.005586      5.686710
  H      -6.675408      0.992508      7.117014
  H      -8.580867      2.343334      6.036833
  H     -11.421107      4.062560      5.236464
  N      -2.193499      2.930899      3.895200
  N      -1.544630      3.443033      2.945995
  H      -0.771421      2.951472      2.474867
  H      -1.738997      4.389332      2.583488
96
Coordinates from ORCA-job orca E -6715.719944520109
  N      -2.845215      0.417062      4.630340
  Mo     -3.365715      2.247390      5.267568
  N      -4.674509      1.528322      6.605053
  C      -4.130590      0.862913      7.783564
  C      -2.699047      0.407187      7.514672
  N      -1.947816      1.460146      6.753825
  C      -0.835799      0.856156      5.967998
  C      -1.432212      0.101445      4.745672
  C      -1.491805      2.525654      7.706255
  C      -1.543614      3.874595      7.004207
  N      -2.790574      3.887499      6.295699
  H      -0.890364      0.423141      3.837004
  H      -1.286907     -0.986074      4.850835
  H      -0.180165      1.673875      5.646866
  H      -0.253068      0.182659      6.618511
  H      -1.474448      4.689079      7.744190
  H      -0.680797      3.989883      6.313255
  H      -2.219804      2.546246      8.527001
  H      -0.502911      2.263995      8.113475
  H      -4.732298     -0.031837      8.036697
  H      -4.178308      1.529582      8.663602
  H      -2.694638     -0.505350      6.909202
  H      -2.163321      0.196659      8.454302
  C      -0.346757     -1.570984     -2.190964
  C      -1.638422     -0.824591     -1.994353
  O      -2.170947     -0.242957     -2.934384
  C      -2.300968     -0.777319     -0.635567
  C      -3.500972     -0.064593     -0.571228
  C      -4.236701      0.060131      0.608787
  O      -5.391002      0.749053      0.584185
  C      -3.731748     -0.526041      1.805104
  C      -4.466064     -0.345785      3.051834
  O      -5.595034      0.190895      3.071765
  C      -3.807848     -0.648435      4.400955
  C      -2.525206     -1.252164      1.738181
  C      -1.816585     -1.395705      0.550626
  O      -0.658486     -2.123437      0.509977
  C      -9.895974      9.041181      5.426596
  C      -9.647262      7.751837      4.699735
  O     -10.572583      7.239742      4.026099
  C      -8.355341      7.069466      4.807148
  C      -7.327976      7.544536      5.645101
  C      -6.142100      6.848166      5.819234
  O      -5.166969      7.286961      6.668543
  C      -5.931654      5.618619      5.123857
  C      -4.791175      4.768070      5.346014
  O      -4.753096      3.612173      4.766176
  C      -3.640546      5.035347      6.259327
  C      -6.942376      5.164609      4.251696
  C      -8.142655      5.846937      4.095872
  O      -9.090304      5.320607      3.303409
  C     -12.660409      5.431438      6.450781
  C     -11.392344      5.969153      7.070178
  O     -11.381024      7.100734      7.548962
  C     -10.147457      5.127409      7.124865
  C      -9.136606      5.609907      7.965780
  C      -7.924001      4.946957      8.131555
  O      -6.982999      5.501462      8.922326
  C      -7.703034      3.721655      7.434522
  C      -6.399661      3.064283      7.548107
  O      -5.522997      3.509555      8.317831
  C      -6.081280      1.838311      6.685957
  C      -8.716609      3.238936      6.588537
  C      -9.914864      3.922082      6.406389
  O     -10.782751      3.359573      5.514975
  H       0.431931     -1.189669     -1.514909
  H      -0.032964     -1.464646     -3.234801
  H      -0.474738     -2.633417     -1.937134
  H      -3.873508      0.396011     -1.486989
  H      -5.771821      0.672050      1.511962
  H      -4.614412     -0.589303      5.148750
  H      -3.345272     -1.648015      4.452209
  H      -2.143470     -1.740641      2.636778
  H      -0.497530     -2.510583      1.389336
  H     -10.018990      8.826498      6.501104
  H      -9.066399      9.751687      5.310053
  H     -10.825785      9.486621      5.057609
  H      -7.480069      8.466142      6.210269
  H      -5.501143      8.055356      7.167758
  H      -3.122259      5.960484      5.927348
  H      -4.042275      5.290323      7.260551
  H      -6.808291      4.222333      3.721484
  H      -9.884045      5.946077      3.401758
  H     -12.604121      5.530229      5.350661
  H     -12.842178      4.377834      6.704640
  H     -13.501741      6.051759      6.779683
  H      -9.313851      6.543111      8.501266
  H      -6.216994      4.850200      8.912877
  H      -6.481515      1.999929      5.675232
  H      -6.658469      0.988232      7.105820
  H      -8.574775      2.324089      6.013854
  H     -11.429140      4.019299      5.206854
  N      -2.187862      2.922438      3.922447
  N      -1.559342      3.458932      2.963837
  H      -0.831990      2.953572      2.442159
  H      -1.733330      4.428464      2.663936
96
Coordinates from ORCA-job orca E -6715.723452065559
  N      -2.825531      0.427932      4.636607
  Mo     -3.332876      2.270466      5.259663
  N      -4.654876      1.545675      6.592286
  C      -4.114641      0.882973      7.775498
  C      -2.683276      0.422504      7.510631
  N      -1.922846      1.475307      6.754640
  C      -0.811270      0.865464      5.969721
  C      -1.413274      0.104623      4.751559
  C      -1.465643      2.535023      7.715586
  C      -1.528582      3.893302      7.031147
  N      -2.777283      3.905685      6.324897
  H      -0.868920      0.413994      3.840077
  H      -1.273577     -0.982611      4.867792
  H      -0.153890      1.679860      5.643241
  H      -0.229665      0.192385      6.621597
  H      -1.462880      4.696290      7.784315
  H      -0.666641      4.024898      6.341187
  H      -2.190168      2.544609      8.539824
  H      -0.474058      2.274073      8.116596
  H      -4.716930     -0.009800      8.034154
  H      -4.160592      1.552753      8.653786
  H      -2.684179     -0.488433      6.902593
  H      -2.152939      0.206004      8.451867
  C      -0.401815     -1.653321     -2.211447
  C      -1.670744     -0.869658     -2.004452
  O      -2.192647     -0.271288     -2.940396
  C      -2.322644     -0.806074     -0.641606
  C      -3.504746     -0.063698     -0.567430
  C      -4.229738      0.078676      0.617368
  O      -5.366748      0.796523      0.600012
  C      -3.731817     -0.520285      1.811537
  C      -4.452809     -0.321485      3.064968
  O      -5.567890      0.241682      3.090895
  C      -3.791442     -0.635118      4.409898
  C      -2.543189     -1.274060      1.734785
  C      -1.845603     -1.436009      0.541560
  O      -0.705400     -2.191661      0.492525
  C      -9.901139      9.053127      5.468948
  C      -9.637098      7.774617      4.728498
  O     -10.550984      7.257924      4.045524
  C      -8.337927      7.099365      4.836374
  C      -7.314937      7.571697      5.679639
  C      -6.124964      6.877844      5.851363
  O      -5.152018      7.312743      6.704397
  C      -5.910013      5.654705      5.147306
  C      -4.768951      4.800594      5.364236
  O      -4.731898      3.652546      4.773843
  C      -3.625059      5.055428      6.289918
  C      -6.916501      5.203321      4.269026
  C      -8.118935      5.883554      4.115719
  O      -9.062715      5.358753      3.317080
  C     -12.682466      5.381002      6.395401
  C     -11.422667      5.925188      7.028006
  O     -11.423178      7.055275      7.510788
  C     -10.172457      5.092264      7.089488
  C      -9.171397      5.578064      7.940505
  C      -7.955154      4.923867      8.112630
  O      -7.025454      5.484823      8.913616
  C      -7.717205      3.702806      7.410796
  C      -6.407289      3.056590      7.531703
  O      -5.541989      3.506280      8.312172
  C      -6.067819      1.838484      6.665142
  C      -8.719969      3.216537      6.554331
  C      -9.923281      3.891384      6.366424
  O     -10.778699      3.325777      5.464872
  H       0.392823     -1.294663     -1.540704
  H      -0.092334     -1.555114     -3.257617
  H      -0.559587     -2.712534     -1.958243
  H      -3.872278      0.407024     -1.480580
  H      -5.742150      0.728067      1.531433
  H      -4.594327     -0.582947      5.161609
  H      -3.327972     -1.635224      4.450076
  H      -2.164846     -1.769924      2.631634
  H      -0.548619     -2.585790      1.369694
  H     -10.029026      8.821333      6.539843
  H      -9.077025      9.772622      5.365003
  H     -10.833297      9.493948      5.099600
  H      -7.472073      8.489346      6.250910
  H      -5.487873      8.076617      7.209825
  H      -3.106725      5.985840      5.971654
  H      -4.043308      5.305199      7.286639
  H      -6.778217      4.265140      3.732069
  H      -9.858319      5.980095      3.416208
  H     -12.615664      5.485797      5.295892
  H     -12.859751      4.325114      6.645262
  H     -13.531079      5.993977      6.720095
  H      -9.359419      6.507752      8.479268
  H      -6.251932      4.841461      8.904021
  H      -6.462865      2.001970      5.652465
  H      -6.640373      0.981852      7.077609
  H      -8.566397      2.305945      5.974841
  H     -11.428848      3.982264      5.156672
  N      -2.179473      2.935198      3.924886
  N      -1.576971      3.508724      2.964295
  H      -0.895448      3.004067      2.385705
  H      -1.735753      4.498482      2.735403
96
Coordinates from ORCA-job orca E -6715.726655965440
  N      -2.801650      0.441678      4.645884
  Mo     -3.299980      2.297573      5.252821
  N      -4.634553      1.561368      6.579099
  C      -4.095720      0.902275      7.766562
  C      -2.663664      0.442164      7.505588
  N      -1.896427      1.496474      6.755377
  C      -0.784793      0.883667      5.970601
  C      -1.390004      0.115793      4.758443
  C      -1.436148      2.550430      7.722242
  C      -1.511014      3.915366      7.052847
  N      -2.763826      3.926142      6.354058
  H      -0.845100      0.415067      3.843953
  H      -1.253634     -0.970868      4.884613
  H      -0.129285      1.697419      5.638816
  H      -0.201915      0.213485      6.624136
  H      -1.447395      4.708493      7.816759
  H      -0.652456      4.060986      6.361606
  H      -2.153906      2.547940      8.552383
  H      -0.440219      2.290361      8.112723
  H      -4.697186      0.010456      8.029549
  H      -4.142362      1.575762      8.641780
  H      -2.664532     -0.465853      6.893580
  H      -2.136743      0.221375      8.447542
  C      -0.474419     -1.738467     -2.233786
  C      -1.722780     -0.926710     -2.010790
  O      -2.243936     -0.319055     -2.940634
  C      -2.358268     -0.844270     -0.639237
  C      -3.525097     -0.079963     -0.556535
  C      -4.235027      0.081856      0.635298
  O      -5.359337      0.819373      0.626679
  C      -3.734407     -0.520515      1.827084
  C      -4.438508     -0.300466      3.087915
  O      -5.540444      0.287133      3.119725
  C      -3.769751     -0.619554      4.427838
  C      -2.560538     -1.294956      1.741807
  C      -1.879366     -1.476434      0.542049
  O      -0.752703     -2.252477      0.483162
  C      -9.888757      9.076765      5.540781
  C      -9.619867      7.814554      4.776883
  O     -10.526133      7.310657      4.076471
  C      -8.317115      7.136562      4.880180
  C      -7.298955      7.601095      5.731280
  C      -6.106526      6.908031      5.897554
  O      -5.135150      7.332698      6.756604
  C      -5.889069      5.695083      5.179055
  C      -4.747033      4.836936      5.388343
  O      -4.712652      3.699349      4.783838
  C      -3.607816      5.077781      6.323131
  C      -6.890360      5.250351      4.292304
  C      -8.094517      5.930060      4.143627
  O      -9.033097      5.409747      3.336913
  C     -12.699957      5.319691      6.302363
  C     -11.452993      5.870024      6.954874
  O     -11.466509      6.998195      7.441110
  C     -10.197220      5.045441      7.032278
  C      -9.211445      5.536030      7.897094
  C      -7.992819      4.889871      8.082004
  O      -7.077299      5.453974      8.897341
  C      -7.736231      3.674116      7.377343
  C      -6.419932      3.043093      7.510779
  O      -5.569803      3.506175      8.300510
  C      -6.052854      1.834279      6.642929
  C      -8.723779      3.182131      6.507025
  C      -9.930620      3.848615      6.308026
  O     -10.771050      3.279637      5.394088
  H       0.337908     -1.395464     -1.576407
  H      -0.179066     -1.649182     -3.284891
  H      -0.651154     -2.793496     -1.975965
  H      -3.893502      0.392570     -1.468453
  H      -5.724387      0.759103      1.564050
  H      -4.568092     -0.573455      5.184539
  H      -3.304580     -1.619201      4.459217
  H      -2.178571     -1.790623      2.637378
  H      -0.595113     -2.646337      1.360496
  H     -10.026300      8.818624      6.604568
  H      -9.063427      9.797521      5.458952
  H     -10.818014      9.525249      5.173261
  H      -7.459546      8.511938      6.312532
  H      -5.471933      8.090427      7.270670
  H      -3.087044      6.011081      6.016463
  H      -4.037070      5.322711      7.317069
  H      -6.747588      4.319004      3.745367
  H      -9.832292      6.027109      3.443658
  H     -12.617013      5.428712      5.204403
  H     -12.874684      4.262257      6.547550
  H     -13.557386      5.925650      6.616874
  H      -9.413006      6.462310      8.436745
  H      -6.299709      4.812780      8.892419
  H      -6.442119      1.996925      5.627943
  H      -6.615416      0.967439      7.047351
  H      -8.555899      2.275711      5.925020
  H     -11.424040      3.932918      5.085026
  N      -2.166121      2.962109      3.913405
  N      -1.591546      3.579683      2.959499
  H      -0.954565      3.090222      2.321591
  H      -1.735135      4.585114      2.804093
96
Coordinates from ORCA-job orca E -6715.729269653626
  N      -2.781062      0.458160      4.653832
  Mo     -3.270966      2.324944      5.248304
  N      -4.617239      1.575579      6.565597
  C      -4.077687      0.920775      7.754255
  C      -2.645074      0.461513      7.496444
  N      -1.872449      1.516986      6.753331
  C      -0.762327      0.903773      5.967536
  C      -1.370623      0.131558      4.761586
  C      -1.406092      2.563419      7.724531
  C      -1.494404      3.933277      7.068879
  N      -2.753223      3.942673      6.383170
  H      -0.827052      0.424932      3.844168
  H      -1.236368     -0.954800      4.893341
  H      -0.110950      1.718893      5.631419
  H      -0.176031      0.237054      6.621536
  H      -1.429800      4.717974      7.841524
  H      -0.641828      4.090941      6.373022
  H      -2.113036      2.548024      8.563596
  H      -0.404299      2.303583      8.099638
  H      -4.678817      0.030214      8.022054
  H      -4.124308      1.598903      8.625737
  H      -2.643946     -0.442992      6.880208
  H      -2.120294      0.236943      8.438569
  C      -0.556217     -1.825297     -2.245238
  C      -1.782315     -0.984689     -2.012019
  O      -2.300642     -0.370182     -2.938194
  C      -2.401436     -0.880062     -0.632756
  C      -3.551682     -0.093456     -0.544080
  C      -4.244841      0.090641      0.654548
  O      -5.353967      0.850427      0.653585
  C      -3.741470     -0.513963      1.844005
  C      -4.427064     -0.273034      3.111386
  O      -5.517718      0.336613      3.152213
  C      -3.750634     -0.601405      4.444361
  C      -2.582871     -1.309718      1.752439
  C      -1.920041     -1.511986      0.547189
  O      -0.807701     -2.307939      0.479862
  C      -9.885150      9.084949      5.605285
  C      -9.601713      7.842093      4.817335
  O     -10.496978      7.345354      4.099440
  C      -8.296200      7.166137      4.920088
  C      -7.285996      7.621527      5.783583
  C      -6.092685      6.929067      5.945973
  O      -5.126415      7.343779      6.814362
  C      -5.871079      5.727393      5.211492
  C      -4.727227      4.865776      5.413843
  O      -4.693873      3.740852      4.793272
  C      -3.592658      5.094955      6.355694
  C      -6.865473      5.291981      4.313392
  C      -8.069483      5.972642      4.166219
  O      -9.002369      5.466016      3.344820
  C     -12.705702      5.256948      6.203787
  C     -11.477413      5.811866      6.885761
  O     -11.510254      6.933722      7.384208
  C     -10.213605      4.999193      6.977874
  C      -9.249329      5.492208      7.863579
  C      -8.025969      4.858442      8.062188
  O      -7.132380      5.426655      8.897231
  C      -7.744554      3.652991      7.348536
  C      -6.424345      3.032127      7.493190
  O      -5.589337      3.492506      8.300376
  C      -6.036431      1.835692      6.619530
  C      -8.711858      3.159384      6.456772
  C      -9.922314      3.814444      6.245361
  O     -10.741392      3.247095      5.311075
  H       0.271995     -1.496878     -1.601231
  H      -0.273684     -1.748636     -3.300674
  H      -0.752217     -2.874176     -1.978474
  H      -3.920294      0.379425     -1.455314
  H      -5.706302      0.805414      1.597535
  H      -4.543144     -0.562560      5.207813
  H      -3.283419     -1.599794      4.465197
  H      -2.197511     -1.803625      2.647006
  H      -0.648766     -2.698813      1.358293
  H     -10.033573      8.799806      6.660269
  H      -9.063364      9.811310      5.549930
  H     -10.812863      9.536424      5.238235
  H      -7.451508      8.523386      6.376337
  H      -5.466698      8.094781      7.335804
  H      -3.069067      6.029989      6.058078
  H      -4.029383      5.336578      7.347729
  H      -6.716798      4.369393      3.754375
  H      -9.799265      6.087503      3.451639
  H     -12.603184      5.377460      5.109114
  H     -12.875518      4.196020      6.435037
  H     -13.574796      5.851246      6.507666
  H      -9.470689      6.410236      8.408693
  H      -6.343682      4.795855      8.893393
  H      -6.417923      2.004303      5.602605
  H      -6.593287      0.958800      7.010374
  H      -8.524192      2.261667      5.868037
  H     -11.399186      3.896078      5.003871
  N      -2.149055      2.993518      3.908250
  N      -1.596935      3.654883      2.968303
  H      -1.004213      3.188509      2.274871
  H      -1.715881      4.671226      2.884085
96
Coordinates from ORCA-job orca E -6715.731377479934
  N      -2.759641      0.466557      4.669431
  Mo     -3.247909      2.340337      5.252391
  N      -4.600938      1.578075      6.561604
  C      -4.057420      0.933764      7.752898
  C      -2.623473      0.477270      7.499610
  N      -1.849369      1.533057      6.759129
  C      -0.739797      0.921167      5.972604
  C      -1.349089      0.143068      4.772683
  C      -1.376944      2.576212      7.729927
  C      -1.483661      3.947281      7.081253
  N      -2.750664      3.948539      6.412038
  H      -0.808150      0.433277      3.852560
  H      -1.213310     -0.942674      4.908565
  H      -0.095233      1.739253      5.630778
  H      -0.147122      0.260900      6.627501
  H      -1.417626      4.728607      7.857399
  H      -0.639774      4.114818      6.377191
  H      -2.069726      2.549865      8.580380
  H      -0.367501      2.321070      8.087084
  H      -4.656297      0.044445      8.030111
  H      -4.104453      1.620643      8.617435
  H      -2.617723     -0.426958      6.883796
  H      -2.100363      0.254478      8.443006
  C      -0.638940     -1.864300     -2.261168
  C      -1.849738     -1.007336     -2.012848
  O      -2.371653     -0.385757     -2.931913
  C      -2.450033     -0.893985     -0.624886
  C      -3.590383     -0.095776     -0.523275
  C      -4.264551      0.097901      0.684852
  O      -5.365824      0.868614      0.698520
  C      -3.750534     -0.510116      1.867562
  C      -4.415617     -0.258358      3.143224
  O      -5.494475      0.372978      3.198134
  C      -3.727527     -0.595104      4.467276
  C      -2.601102     -1.317793      1.762677
  C      -1.958024     -1.528302      0.549124
  O      -0.853746     -2.334089      0.467194
  C      -9.871482      9.095822      5.630019
  C      -9.583700      7.866148      4.823939
  O     -10.471733      7.388529      4.084779
  C      -8.281980      7.182015      4.932897
  C      -7.281382      7.627860      5.811741
  C      -6.089645      6.934044      5.978050
  O      -5.131170      7.342002      6.857551
  C      -5.862473      5.740468      5.233494
  C      -4.717047      4.876428      5.435110
  O      -4.680087      3.761799      4.802604
  C      -3.587853      5.101189      6.383218
  C      -6.847358      5.313899      4.321940
  C      -8.049408      5.997015      4.167355
  O      -8.971281      5.500876      3.328031
  C     -12.701730      5.222400      6.124508
  C     -11.486509      5.772563      6.832059
  O     -11.530163      6.888631      7.341776
  C     -10.220428      4.962688      6.934323
  C      -9.271170      5.450593      7.838491
  C      -8.047817      4.819201      8.047436
  O      -7.168613      5.376985      8.903693
  C      -7.751994      3.625070      7.323556
  C      -6.430121      3.012481      7.480007
  O      -5.608213      3.481128      8.295649
  C      -6.020964      1.824704      6.604978
  C      -8.704391      3.136068      6.413340
  C      -9.914854      3.787504      6.193475
  O     -10.718963      3.227079      5.242255
  H       0.202487     -1.545758     -1.629949
  H      -0.371049     -1.793105     -3.320682
  H      -0.843974     -2.909805     -1.989195
  H      -3.966055      0.378937     -1.430372
  H      -5.704318      0.828545      1.648114
  H      -4.512390     -0.566874      5.239041
  H      -3.254774     -1.590570      4.476070
  H      -2.206329     -1.811509      2.652668
  H      -0.687062     -2.724574      1.344296
  H     -10.037587      8.791517      6.676735
  H      -9.045146      9.817928      5.601861
  H     -10.790981      9.559770      5.258311
  H      -7.451709      8.523756      6.411458
  H      -5.475764      8.089516      7.381005
  H      -3.062568      6.036673      6.088661
  H      -4.029361      5.343813      7.373307
  H      -6.691544      4.397830      3.754714
  H      -9.767879      6.125270      3.428228
  H     -12.582595      5.352634      5.032854
  H     -12.873962      4.159355      6.342830
  H     -13.576854      5.812184      6.419371
  H      -9.504448      6.360785      8.391217
  H      -6.379188      4.746596      8.903692
  H      -6.395315      1.993774      5.585587
  H      -6.570779      0.938996      6.986503
  H      -8.504053      2.246040      5.817716
  H     -11.380261      3.874237      4.939384
  N      -2.135277      3.015010      3.910312
  N      -1.601532      3.714732      2.986731
  H      -1.052866      3.273698      2.243109
  H      -1.689062      4.737181      2.966989
96
Coordinates from ORCA-job orca E -6715.733113329262
  N      -2.736314      0.478109      4.690314
  Mo     -3.220755      2.355740      5.268453
  N      -4.581316      1.583374      6.566312
  C      -4.036056      0.950669      7.761959
  C      -2.601578      0.492345      7.514500
  N      -1.822628      1.545828      6.775355
  C      -0.714924      0.932468      5.987382
  C      -1.326185      0.152947      4.790465
  C      -1.340681      2.585976      7.744604
  C      -1.463642      3.957641      7.100810
  N      -2.739817      3.951503      6.449258
  H      -0.786115      0.441430      3.869191
  H      -1.191887     -0.932965      4.927029
  H      -0.074519      1.752028      5.641095
  H      -0.117632      0.276387      6.642421
  H      -1.393508      4.737747      7.878058
  H      -0.629332      4.131696      6.386892
  H      -2.017709      2.551747      8.607357
  H      -0.323831      2.334389      8.082570
  H      -4.635018      0.064845      8.050406
  H      -4.081711      1.648171      8.618330
  H      -2.593245     -0.413279      6.901014
  H      -2.082292      0.270994      8.460339
  C      -0.749877     -1.906725     -2.289242
  C      -1.937236     -1.023982     -2.020840
  O      -2.460342     -0.389732     -2.930497
  C      -2.512892     -0.899873     -0.622809
  C      -3.636295     -0.080831     -0.503303
  C      -4.285366      0.126442      0.716560
  O      -5.369251      0.920496      0.749750
  C      -3.763576     -0.491762      1.890293
  C      -4.403438     -0.228310      3.175798
  O      -5.469370      0.424769      3.248354
  C      -3.705291     -0.582670      4.489334
  C      -2.630241     -1.320217      1.767328
  C      -2.011965     -1.542074      0.543194
  O      -0.923048     -2.366581      0.443141
  C      -9.864951      9.094783      5.656531
  C      -9.563415      7.874765      4.840535
  O     -10.439604      7.405442      4.082379
  C      -8.262195      7.191624      4.956368
  C      -7.267394      7.634651      5.843154
  C      -6.074115      6.942970      6.009586
  O      -5.117928      7.353095      6.890577
  C      -5.842960      5.753519      5.259808
  C      -4.696154      4.887746      5.460681
  O      -4.655609      3.781279      4.818548
  C      -3.571874      5.108520      6.415071
  C      -6.822685      5.330398      4.341999
  C      -8.024566      6.013252      4.183947
  O      -8.941948      5.523979      3.336018
  C     -12.703589      5.162340      6.024424
  C     -11.503393      5.721121      6.750098
  O     -11.564845      6.834491      7.263658
  C     -10.231519      4.921509      6.869351
  C      -9.300717      5.416631      7.788361
  C      -8.073725      4.797062      8.013771
  O      -7.213829      5.361998      8.883766
  C      -7.755517      3.608194      7.290353
  C      -6.431179      3.004743      7.464322
  O      -5.625380      3.474001      8.295836
  C      -6.001982      1.820868      6.594267
  C      -8.690247      3.112149      6.365247
  C      -9.904457      3.750969      6.130727
  O     -10.691167      3.182509      5.169826
  H       0.109121     -1.605484     -1.673408
  H      -0.499458     -1.842149     -3.353452
  H      -0.971280     -2.947409     -2.011797
  H      -4.017466      0.401172     -1.404185
  H      -5.686938      0.893256      1.707275
  H      -4.482049     -0.566613      5.269544
  H      -3.229369     -1.576330      4.481479
  H      -2.228274     -1.819177      2.650983
  H      -0.748524     -2.758808      1.317925
  H     -10.046175      8.778788      6.697225
  H      -9.039829      9.818688      5.650424
  H     -10.779546      9.561943      5.276951
  H      -7.441506      8.527393      6.446166
  H      -5.465223      8.099514      7.413790
  H      -3.042286      6.041901      6.120338
  H      -4.015339      5.355562      7.403145
  H      -6.661860      4.417609      3.770730
  H      -9.737293      6.150041      3.433860
  H     -12.571081      5.293439      4.934409
  H     -12.871291      4.097802      6.239413
  H     -13.587525      5.745154      6.306611
  H      -9.551061      6.323136      8.339670
  H      -6.412713      4.746029      8.885902
  H      -6.364791      1.988119      5.570475
  H      -6.550102      0.930008      6.967066
  H      -8.472669      2.224835      5.771706
  H     -11.363211      3.818438      4.867103
  N      -2.111014      3.036241      3.927966
  N      -1.588102      3.769075      3.023998
  H      -1.084150      3.354316      2.234956
  H      -1.636225      4.793560      3.064033
96
Coordinates from ORCA-job orca E -6715.734550221428
  N      -2.720109      0.478888      4.710991
  Mo     -3.206087      2.357309      5.284978
  N      -4.568074      1.576917      6.575020
  C      -4.018394      0.958788      7.775246
  C      -2.583591      0.499308      7.531637
  N      -1.802738      1.550394      6.790748
  C      -0.696664      0.935638      6.001008
  C      -1.309753      0.152950      4.807701
  C      -1.312434      2.591511      7.755201
  C      -1.456614      3.962258      7.113212
  N      -2.742780      3.942665      6.480334
  H      -0.771349      0.439709      3.884904
  H      -1.175402     -0.932756      4.945724
  H      -0.061200      1.756499      5.648408
  H      -0.093528      0.284987      6.656088
  H      -1.383383      4.743938      7.888713
  H      -0.633919      4.143112      6.387480
  H      -1.972077      2.550770      8.630970
  H      -0.287285      2.348083      8.073071
  H      -4.615881      0.077193      8.079247
  H      -4.060303      1.668976      8.621713
  H      -2.573274     -0.409283      6.922393
  H      -2.067757      0.281360      8.480107
  C      -0.828591     -1.902281     -2.309960
  C      -2.006004     -1.011517     -2.024368
  O      -2.535422     -0.370102     -2.925501
  C      -2.562877     -0.888449     -0.619072
  C      -3.681607     -0.065388     -0.482928
  C      -4.312748      0.142663      0.746234
  O      -5.393448      0.940038      0.794970
  C      -3.778144     -0.479840      1.912328
  C      -4.396655     -0.213733      3.207084
  O      -5.449439      0.459612      3.297831
  C      -3.687731     -0.583440      4.509906
  C      -2.649084     -1.312228      1.772287
  C      -2.048265     -1.533941      0.539224
  O      -0.962733     -2.360685      0.423860
  C      -9.855017      9.099023      5.634507
  C      -9.544948      7.884544      4.813005
  O     -10.413692      7.422358      4.042222
  C      -8.248351      7.195543      4.942912
  C      -7.262203      7.633336      5.842122
  C      -6.071376      6.939242      6.018512
  O      -5.122591      7.348176      6.908057
  C      -5.835249      5.751386      5.268361
  C      -4.689059      4.883788      5.474124
  O      -4.642877      3.781884      4.827854
  C      -3.569666      5.105505      6.434655
  C      -6.806602      5.332380      4.340526
  C      -8.004414      6.019227      4.168988
  O      -8.910269      5.537431      3.304753
  C     -12.692814      5.136054      5.967465
  C     -11.503874      5.691746      6.713879
  O     -11.575219      6.801301      7.234248
  C     -10.231434      4.894840      6.841747
  C      -9.312375      5.386421      7.774628
  C      -8.086099      4.768939      8.010152
  O      -7.240824      5.327275      8.898246
  C      -7.754770      3.587243      7.280680
  C      -6.429696      2.987657      7.464171
  O      -5.629138      3.462384      8.297857
  C      -5.989656      1.806580      6.596052
  C      -8.677500      3.095004      6.341483
  C      -9.891728      3.730697      6.098487
  O     -10.664490      3.167020      5.124096
  H       0.040890     -1.606403     -1.706128
  H      -0.592433     -1.839231     -3.377537
  H      -1.052471     -2.941598     -2.029106
  H      -4.073238      0.419606     -1.377729
  H      -5.699077      0.911422      1.756678
  H      -4.455948     -0.582964      5.298750
  H      -3.205319     -1.573356      4.483841
  H      -2.234538     -1.811210      2.650228
  H      -0.776607     -2.753442      1.295982
  H     -10.050852      8.776866      6.670602
  H      -9.028535      9.821451      5.645916
  H     -10.763254      9.571286      5.246078
  H      -7.440874      8.524730      6.445817
  H      -5.472971      8.095965      7.427249
  H      -3.034857      6.034149      6.134034
  H      -4.013576      5.362039      7.419738
  H      -6.640305      4.421248      3.767935
  H      -9.701339      6.170982      3.385235
  H     -12.544963      5.271339      4.879818
  H     -12.863984      4.070477      6.175640
  H     -13.581155      5.717355      6.238845
  H      -9.572144      6.287548      8.330424
  H      -6.438719      4.712995      8.907914
  H      -6.347835      1.971150      5.570133
  H      -6.535136      0.912713      6.965836
  H      -8.449148      2.213348      5.743342
  H     -11.342275      3.798602      4.824914
  N      -2.102057      3.042920      3.942670
  N      -1.588728      3.804238      3.056867
  H      -1.129461      3.415715      2.228146
  H      -1.600874      4.826544      3.147978
96
Coordinates from ORCA-job orca E -6715.735729540064
  N      -2.697820      0.487155      4.739784
  Mo     -3.182889      2.364817      5.314958
  N      -4.548002      1.577362      6.593818
  C      -3.995942      0.976248      7.800903
  C      -2.561613      0.511431      7.561820
  N      -1.775381      1.557295      6.818385
  C      -0.672655      0.937824      6.026639
  C      -1.288712      0.155172      4.835411
  C      -1.274469      2.598970      7.777447
  C      -1.437679      3.969055      7.138073
  N      -2.733815      3.937682      6.524184
  H      -0.749417      0.439270      3.912294
  H      -1.158613     -0.930967      4.973886
  H      -0.038986      1.758051      5.669135
  H      -0.066519      0.289977      6.681589
  H      -1.359974      4.752378      7.911493
  H      -0.626873      4.155223      6.400353
  H      -1.916167      2.553039      8.666027
  H      -0.241773      2.362222      8.074524
  H      -4.593596      0.101119      8.122314
  H      -4.032648      1.701149      8.635277
  H      -2.551476     -0.400562      6.957434
  H      -2.050641      0.296054      8.513472
  C      -0.951910     -1.919820     -2.344251
  C      -2.101965     -1.001673     -2.034460
  O      -2.631240     -0.343360     -2.923502
  C      -2.630685     -0.872160     -0.619363
  C      -3.729920     -0.027057     -0.460029
  C      -4.332470      0.191243      0.781571
  O      -5.391032      1.015909      0.854320
  C      -3.791294     -0.447646      1.935905
  C      -4.383643     -0.175877      3.241040
  O      -5.421301      0.519003      3.350724
  C      -3.668012     -0.571959      4.531936
  C      -2.680680     -1.300810      1.772582
  C      -2.106853     -1.529940      0.527840
  O      -1.039117     -2.376100      0.390471
  C      -9.838568      9.097514      5.648857
  C      -9.524362      7.884821      4.826402
  O     -10.387884      7.428346      4.046668
  C      -8.227739      7.196299      4.959068
  C      -7.239844      7.639372      5.853876
  C      -6.046543      6.948548      6.029630
  O      -5.093511      7.367148      6.910389
  C      -5.811541      5.756930      5.285522
  C      -4.665804      4.888451      5.494267
  O      -4.616993      3.788507      4.847107
  C      -3.549976      5.110452      6.460097
  C      -6.784231      5.332757      4.361868
  C      -7.982961      6.017517      4.188816
  O      -8.889942      5.529732      3.329576
  C     -12.695984      5.075351      5.868304
  C     -11.515185      5.643827      6.618357
  O     -11.595108      6.759231      7.124946
  C     -10.242002      4.852645      6.767640
  C      -9.332928      5.360379      7.701904
  C      -8.106245      4.751633      7.955583
  O      -7.269662      5.323511      8.843462
  C      -7.761864      3.564545      7.242792
  C      -6.434127      2.978854      7.448320
  O      -5.650288      3.471050      8.287606
  C      -5.971917      1.792854      6.598826
  C      -8.673651      3.055143      6.302253
  C      -9.890757      3.679511      6.043029
  O     -10.653177      3.095919      5.072674
  H      -0.063992     -1.644294     -1.757695
  H      -0.735271     -1.861613     -3.416187
  H      -1.193930     -2.953807     -2.058739
  H      -4.127245      0.469919     -1.345666
  H      -5.669981      1.001083      1.824694
  H      -4.428634     -0.588021      5.328057
  H      -3.183246     -1.559508      4.483163
  H      -2.258563     -1.809091      2.641539
  H      -0.843012     -2.773419      1.258265
  H     -10.040271      8.774283      6.683479
  H      -9.011895      9.819705      5.667413
  H     -10.743973      9.571353      5.255799
  H      -7.418198      8.533742      6.453306
  H      -5.442049      8.119524      7.424120
  H      -3.005170      6.029973      6.149524
  H      -3.992137      5.381896      7.441219
  H      -6.618234      4.418208      3.794593
  H      -9.682220      6.161628      3.409270
  H     -12.537350      5.192402      4.779997
  H     -12.869297      4.013216      6.092545
  H     -13.587581      5.660211      6.120635
  H      -9.600914      6.267692      8.243552
  H      -6.461804      4.717940      8.859935
  H      -6.319312      1.941614      5.566836
  H      -6.513516      0.897468      6.970763
  H      -8.435065      2.167243      5.717565
  H     -11.343059      3.711933      4.769116
  N      -2.080915      3.055108      3.972918
  N      -1.572278      3.843068      3.108044
  H      -1.156094      3.483492      2.244188
  H      -1.549273      4.859885      3.246594
96
Coordinates from ORCA-job orca E -6715.736698636982
  N      -2.681057      0.483906      4.764068
  Mo     -3.171593      2.359597      5.339679
  N      -4.539554      1.567473      6.608154
  C      -3.985332      0.982395      7.822108
  C      -2.551804      0.512598      7.587682
  N      -1.760494      1.554648      6.843462
  C      -0.658259      0.931605      6.052688
  C      -1.273308      0.146995      4.863129
  C      -1.254089      2.599316      7.797209
  C      -1.436570      3.968364      7.159957
  N      -2.740223      3.922809      6.560042
  H      -0.730461      0.427171      3.940784
  H      -1.147186     -0.939273      5.004472
  H      -0.025770      1.751456      5.691820
  H      -0.050735      0.286927      6.709438
  H      -1.358909      4.753435      7.931673
  H      -0.635615      4.161426      6.413273
  H      -1.880811      2.547804      8.696021
  H      -0.214717      2.371819      8.077137
  H      -4.583785      0.115014      8.161821
  H      -4.015123      1.722922      8.643182
  H      -2.541381     -0.401747      6.986521
  H      -2.046297      0.298935      8.542711
  C      -1.035442     -1.908504     -2.378239
  C      -2.166135     -0.974304     -2.044984
  O      -2.696949     -0.300816     -2.921725
  C      -2.674651     -0.847126     -0.622071
  C      -3.762484      0.009117     -0.444251
  C      -4.346551      0.228393      0.805971
  O      -5.395441      1.063588      0.895943
  C      -3.798896     -0.423102      1.950720
  C      -4.371557     -0.150048      3.264168
  O      -5.389638      0.571457      3.389185
  C      -3.653233     -0.571608      4.545284
  C      -2.699675     -1.287236      1.768707
  C      -2.143340     -1.515869      0.515741
  O      -1.085272     -2.371378      0.361592
  C      -9.831010      9.089826      5.610074
  C      -9.507739      7.880180      4.786622
  O     -10.361255      7.426938      3.994475
  C      -8.212848      7.189900      4.932281
  C      -7.230810      7.634385      5.832351
  C      -6.038361      6.943852      6.017135
  O      -5.088128      7.367247      6.898722
  C      -5.800379      5.748910      5.279737
  C      -4.656007      4.880478      5.497648
  O      -4.602258      3.779690      4.852939
  C      -3.545082      5.105541      6.470348
  C      -6.767790      5.321882      4.351523
  C      -7.963504      6.009049      4.166277
  O      -8.863024      5.522824      3.298423
  C     -12.689366      5.040730      5.831756
  C     -11.518399      5.615219      6.593026
  O     -11.612713      6.726092      7.106884
  C     -10.240867      4.832754      6.749116
  C      -9.340973      5.344506      7.690290
  C      -8.112597      4.742648      7.952612
  O      -7.289287      5.318542      8.850288
  C      -7.755464      3.557502      7.240096
  C      -6.427490      2.973158      7.453511
  O      -5.646782      3.464387      8.296779
  C      -5.964058      1.783066      6.611093
  C      -8.657943      3.045156      6.292365
  C      -9.877480      3.662208      6.025926
  O     -10.629747      3.072348      5.051727
  H      -0.133517     -1.647710     -1.806191
  H      -0.836134     -1.849303     -3.453601
  H      -1.287332     -2.940019     -2.091958
  H      -4.165821      0.514882     -1.322385
  H      -5.661876      1.046184      1.870344
  H      -4.409309     -0.604109      5.345448
  H      -3.166557     -1.556740      4.475393
  H      -2.270262     -1.802669      2.630029
  H      -0.880798     -2.772976      1.225644
  H     -10.042628      8.763675      6.641821
  H      -9.004807      9.812496      5.640067
  H     -10.732302      9.564824      5.208750
  H      -7.412381      8.531275      6.427429
  H      -5.437333      8.124363      7.405238
  H      -2.987671      6.013075      6.147293
  H      -3.987016      5.395598      7.445399
  H      -6.598685      4.405297      3.788198
  H      -9.651210      6.161552      3.363967
  H     -12.521878      5.159569      4.744823
  H     -12.858798      3.977241      6.054166
  H     -13.586905      5.619713      6.076848
  H      -9.618336      6.249368      8.231529
  H      -6.475596      4.719560      8.870650
  H      -6.309121      1.925251      5.577203
  H      -6.506630      0.889787      6.986629
  H      -8.410476      2.158759      5.708575
  H     -11.331754      3.677043      4.752840
  N      -2.069812      3.055832      3.995968
  N      -1.563821      3.868179      3.152428
  H      -1.187096      3.538430      2.258555
  H      -1.513494      4.877796      3.332492
96
Coordinates from ORCA-job orca E -6715.737461847087
  N      -2.662567      0.488298      4.787792
  Mo     -3.157848      2.360585      5.369544
  N      -4.527797      1.559780      6.626986
  C      -3.970065      0.994378      7.848028
  C      -2.538303      0.517361      7.615873
  N      -1.742268      1.554845      6.870427
  C      -0.642281      0.928329      6.079224
  C      -1.257704      0.143561      4.890914
  C      -1.229754      2.599981      7.820548
  C      -1.431966      3.969571      7.190670
  N      -2.742915      3.912186      6.606025
  H      -0.710087      0.418474      3.969558
  H      -1.137741     -0.943015      5.035301
  H      -0.009641      1.747274      5.716556
  H      -0.034500      0.284454      6.736438
  H      -1.353500      4.753092      7.963940
  H      -0.641511      4.172344      6.435248
  H      -1.840912      2.540763      8.729420
  H      -0.184139      2.380759      8.082249
  H      -4.569082      0.136190      8.208749
  H      -3.990759      1.752364      8.653627
  H      -2.530722     -0.398565      7.017014
  H      -2.036441      0.304167      8.572955
  C      -1.136528     -1.925602     -2.407028
  C      -2.233661     -0.958050     -2.057488
  O      -2.752680     -0.263975     -2.925225
  C      -2.721815     -0.822893     -0.628647
  C      -3.786341      0.058615     -0.434207
  C      -4.349421      0.287955      0.823625
  O      -5.375458      1.149426      0.928087
  C      -3.804956     -0.382596      1.959805
  C      -4.354476     -0.103140      3.281710
  O      -5.349531      0.647848      3.424224
  C      -3.638585     -0.559624      4.551590
  C      -2.728547     -1.271225      1.760355
  C      -2.192346     -1.507432      0.500226
  O      -1.155248     -2.385017      0.329848
  C      -9.818139      9.085228      5.593698
  C      -9.489105      7.875881      4.772492
  O     -10.339853      7.415856      3.982015
  C      -8.193211      7.187763      4.924736
  C      -7.210222      7.640480      5.819150
  C      -6.017185      6.951925      6.008552
  O      -5.063836      7.386660      6.880966
  C      -5.781702      5.748658      5.284065
  C      -4.639300      4.879388      5.509604
  O      -4.585372      3.777175      4.868935
  C      -3.530821      5.106363      6.485980
  C      -6.750211      5.313343      4.360730
  C      -7.944630      6.000586      4.168782
  O      -8.844340      5.508603      3.304343
  C     -12.693294      4.989116      5.781639
  C     -11.525231      5.575436      6.538678
  O     -11.622197      6.694145      7.034711
  C     -10.245582      4.799433      6.705704
  C      -9.349053      5.326622      7.641835
  C      -8.120397      4.731695      7.916381
  O      -7.302914      5.318392      8.812705
  C      -7.756515      3.539786      7.219627
  C      -6.427043      2.964231      7.447220
  O      -5.651197      3.476031      8.282336
  C      -5.953598      1.765569      6.623746
  C      -8.654014      3.012378      6.275912
  C      -9.876175      3.620339      5.999236
  O     -10.621556      3.013300      5.030618
  H      -0.219021     -1.690933     -1.848556
  H      -0.951149     -1.872507     -3.485096
  H      -1.414438     -2.949025     -2.116010
  H      -4.187890      0.577529     -1.305341
  H      -5.628550      1.137692      1.906570
  H      -4.391854     -0.609899      5.354025
  H      -3.153216     -1.542850      4.456546
  H      -2.299546     -1.798925      2.614312
  H      -0.947069     -2.792942      1.189987
  H     -10.025480      8.760292      6.626555
  H      -8.996061      9.812588      5.620742
  H     -10.722534      9.554228      5.192505
  H      -7.390754      8.543389      6.405217
  H      -5.410241      8.151679      7.377422
  H      -2.957777      5.998160      6.147113
  H      -3.971125      5.420509      7.453628
  H      -6.582768      4.391000      3.806480
  H      -9.629384      6.151825      3.360352
  H     -12.518843      5.085565      4.693694
  H     -12.867354      3.931014      6.025413
  H     -13.590834      5.574725      6.010011
  H      -9.631062      6.237084      8.170974
  H      -6.489300      4.719755      8.844336
  H      -6.295240      1.889369      5.586327
  H      -6.492089      0.874415      7.009999
  H      -8.401540      2.119875      5.703925
  H     -11.334488      3.603735      4.729447
  N      -2.059102      3.063928      4.030595
  N      -1.557433      3.904123      3.210237
  H      -1.213771      3.607174      2.292532
  H      -1.494355      4.904977      3.428387
96
Coordinates from ORCA-job orca E -6715.738103891953
  N      -2.642421      0.488424      4.811292
  Mo     -3.152670      2.355313      5.398021
  N      -4.523853      1.545214      6.645288
  C      -3.962887      1.000893      7.874779
  C      -2.532512      0.519054      7.646416
  N      -1.733487      1.554083      6.900595
  C      -0.631274      0.926463      6.113370
  C      -1.240564      0.138232      4.925705
  C      -1.220591      2.602884      7.846691
  C      -1.439873      3.971118      7.220421
  N      -2.755708      3.900639      6.645631
  H      -0.684257      0.406171      4.007292
  H      -1.125919     -0.948217      5.076202
  H       0.001323      1.745586      5.750963
  H      -0.024569      0.284990      6.773929
  H      -1.364787      4.754341      7.994479
  H      -0.657058      4.182873      6.459608
  H      -1.820374      2.537524      8.762602
  H      -0.170004      2.393670      8.095566
  H      -4.562178      0.152262      8.256106
  H      -3.975589      1.777509      8.662980
  H      -2.525609     -0.397832      7.048746
  H      -2.033986      0.306997      8.605517
  C      -1.224671     -1.949846     -2.447422
  C      -2.275907     -0.939996     -2.077539
  O      -2.772915     -0.215411     -2.933027
  C      -2.746654     -0.799722     -0.642801
  C      -3.778311      0.116144     -0.432194
  C      -4.322489      0.354992      0.832226
  O      -5.315180      1.252743      0.952570
  C      -3.793449     -0.345021      1.958066
  C      -4.325510     -0.059280      3.285503
  O      -5.288999      0.730464      3.438971
  C      -3.621213     -0.549883      4.549073
  C      -2.749329     -1.267683      1.742250
  C      -2.230837     -1.510659      0.476159
  O      -1.223859     -2.419574      0.289508
  C      -9.807655      9.079578      5.566061
  C      -9.480343      7.867584      4.748375
  O     -10.328807      7.409652      3.954570
  C      -8.183877      7.178632      4.904168
  C      -7.199312      7.639768      5.792114
  C      -6.005642      6.953318      5.985505
  O      -5.047708      7.398711      6.847443
  C      -5.773454      5.741149      5.275394
  C      -4.632416      4.872735      5.510619
  O      -4.578565      3.765251      4.878772
  C      -3.525345      5.105757      6.488335
  C      -6.743226      5.296610      4.357547
  C      -7.936323      5.984400      4.158027
  O      -8.834651      5.486264      3.295821
  C     -12.695580      4.953473      5.762884
  C     -11.529221      5.548783      6.515679
  O     -11.631266      6.668853      7.007473
  C     -10.247318      4.777761      6.688793
  C      -9.351832      5.315255      7.620315
  C      -8.121960      4.725626      7.900443
  O      -7.305829      5.321372      8.792353
  C      -7.755008      3.528877      7.213631
  C      -6.425498      2.956591      7.449345
  O      -5.654371      3.474646      8.285165
  C      -5.950544      1.748276      6.641960
  C      -8.650847      2.991394      6.274376
  C      -9.875567      3.592852      5.993566
  O     -10.619096      2.972000      5.032188
  H      -0.290528     -1.755623     -1.901061
  H      -1.052256     -1.897849     -3.527719
  H      -1.539840     -2.962740     -2.157590
  H      -4.168511      0.656330     -1.295587
  H      -5.556519      1.245618      1.934231
  H      -4.378566     -0.615921      5.347215
  H      -3.138631     -1.531882      4.433500
  H      -2.331324     -1.817137      2.587796
  H      -1.019369     -2.839054      1.145035
  H     -10.011621      8.757911      6.600577
  H      -8.985349      9.806894      5.588446
  H     -10.712885      9.547427      5.165351
  H      -7.377954      8.549264      6.368639
  H      -5.390203      8.171942      7.333799
  H      -2.934596      5.977511      6.128465
  H      -3.961877      5.449546      7.446819
  H      -6.577438      4.368388      3.812755
  H      -9.617172      6.134364      3.342090
  H     -12.519414      5.038404      4.674318
  H     -12.869134      3.897937      6.018677
  H     -13.594314      5.539965      5.984154
  H      -9.636241      6.229690      8.141210
  H      -6.489636      4.725424      8.825205
  H      -6.291906      1.856365      5.602625
  H      -6.486625      0.861343      7.040931
  H      -8.396775      2.094182      5.710518
  H     -11.344829      3.548842      4.735317
  N      -2.054396      3.072432      4.058971
  N      -1.556771      3.938239      3.262449
  H      -1.239938      3.674062      2.325086
  H      -1.489014      4.930895      3.514005
96
Coordinates from ORCA-job orca E -6715.738704120251
  N      -2.619730      0.493598      4.832490
  Mo     -3.149387      2.352655      5.427850
  N      -4.517658      1.527113      6.668408
  C      -3.949040      1.003656      7.903701
  C      -2.520160      0.519723      7.673577
  N      -1.722372      1.556062      6.927987
  C      -0.617727      0.931619      6.142067
  C      -1.221221      0.138605      4.956385
  C      -1.210584      2.607137      7.872365
  C      -1.449499      3.975083      7.254076
  N      -2.770250      3.892311      6.690319
  H      -0.657096      0.398391      4.039987
  H      -1.111112     -0.947514      5.114089
  H       0.012342      1.752790      5.779874
  H      -0.009509      0.293079      6.804148
  H      -1.377934      4.755025      8.032098
  H      -0.675276      4.199911      6.488189
  H      -1.798314      2.532212      8.795248
  H      -0.154945      2.408824      8.107767
  H      -4.545917      0.162992      8.305141
  H      -3.953195      1.796655      8.675988
  H      -2.514998     -0.395865      7.073596
  H      -2.020814      0.306397      8.632007
  C      -1.325227     -1.995724     -2.488222
  C      -2.314672     -0.932169     -2.099622
  O      -2.774732     -0.170112     -2.943012
  C      -2.769384     -0.782519     -0.660116
  C      -3.755964      0.178222     -0.435701
  C      -4.281531      0.431375      0.833855
  O      -5.232405      1.371736      0.966181
  C      -3.778835     -0.302025      1.950716
  C      -4.286896     -0.000868      3.283648
  O      -5.206383      0.838419      3.449796
  C      -3.601135     -0.531999      4.540472
  C      -2.780216     -1.270648      1.720615
  C      -2.280206     -1.526079      0.449758
  O      -1.315559     -2.476832      0.249187
  C      -9.800348      9.081558      5.540298
  C      -9.471233      7.865773      4.728919
  O     -10.313612      7.407364      3.929558
  C      -8.176513      7.174403      4.894841
  C      -7.190021      7.643316      5.776081
  C      -5.996780      6.957060      5.973552
  O      -5.032508      7.413862      6.822194
  C      -5.770417      5.734750      5.279106
  C      -4.630522      4.866549      5.522011
  O      -4.579178      3.753975      4.898941
  C      -3.521745      5.106078      6.496639
  C      -6.743216      5.281405      4.368635
  C      -7.933647      5.971783      4.161604
  O      -8.834864      5.468424      3.305263
  C     -12.691191      4.910490      5.728486
  C     -11.527704      5.517711      6.476337
  O     -11.634059      6.642513      6.956049
  C     -10.243961      4.752089      6.660667
  C      -9.351232      5.303443      7.586946
  C      -8.121472      4.719295      7.878771
  O      -7.310609      5.325856      8.768417
  C      -7.750696      3.514592      7.207699
  C      -6.422270      2.944512      7.455723
  O      -5.652322      3.476351      8.283908
  C      -5.945276      1.724866      6.667526
  C      -8.643267      2.963790      6.273343
  C      -9.869329      3.558319      5.982983
  O     -10.609885      2.919908      5.030699
  H      -0.375534     -1.856541     -1.952054
  H      -1.162648     -1.945263     -3.570160
  H      -1.691960     -2.991824     -2.200990
  H      -4.126041      0.742838     -1.292361
  H      -5.471070      1.366225      1.948463
  H      -4.365375     -0.612112      5.331807
  H      -3.123817     -1.513474      4.404323
  H      -2.382797     -1.846082      2.558710
  H      -1.122018     -2.910176      1.100436
  H     -10.003562      8.765007      6.576436
  H      -8.978502      9.809546      5.558758
  H     -10.705739      9.546728      5.136919
  H      -7.364242      8.561134      6.340648
  H      -5.369373      8.196520      7.297325
  H      -2.915317      5.957134      6.113568
  H      -3.951532      5.481182      7.445829
  H      -6.581752      4.346059      3.834847
  H      -9.614545      6.120419      3.346259
  H     -12.510820      4.977512      4.639455
  H     -12.865805      3.859356      6.001778
  H     -13.590957      5.499933      5.937313
  H      -9.639266      6.223664      8.095492
  H      -6.494820      4.729168      8.813129
  H      -6.288544      1.814295      5.626901
  H      -6.476978      0.842837      7.082998
  H      -8.387031      2.059382      5.722129
  H     -11.347354      3.482173      4.734870
  N      -2.057927      3.088692      4.093584
  N      -1.572657      3.987100      3.323805
  H      -1.273094      3.759599      2.371559
  H      -1.516563      4.971088      3.608804
96
Coordinates from ORCA-job orca E -6715.739441115259
  N      -2.587911      0.507520      4.849458
  Mo     -3.150793      2.352898      5.455833
  N      -4.513443      1.504224      6.688685
  C      -3.937921      0.997327      7.928275
  C      -2.508169      0.519159      7.696619
  N      -1.715931      1.563178      6.955863
  C      -0.603073      0.949238      6.174207
  C      -1.193015      0.150887      4.987321
  C      -1.213376      2.616052      7.903254
  C      -1.469586      3.983961      7.293820
  N      -2.791791      3.889230      6.733897
  H      -0.617935      0.404114      4.075441
  H      -1.085060     -0.934703      5.152129
  H       0.022953      1.775532      5.816773
  H       0.006343      0.313975      6.838421
  H      -1.406388      4.758792      8.078044
  H      -0.700495      4.224670      6.527645
  H      -1.795092      2.529492      8.828852
  H      -0.154199      2.430248      8.132336
  H      -4.529658      0.159418      8.342128
  H      -3.939957      1.801173      8.689822
  H      -2.500553     -0.392355      7.090192
  H      -2.007378      0.302886      8.653653
  C      -1.435328     -2.078604     -2.534018
  C      -2.339297     -0.946873     -2.130840
  O      -2.742204     -0.142459     -2.963931
  C      -2.778428     -0.779467     -0.688124
  C      -3.699471      0.241393     -0.452643
  C      -4.203473      0.518226      0.820752
  O      -5.090426      1.517843      0.962251
  C      -3.745534     -0.255111      1.930108
  C      -4.225882      0.068985      3.266918
  O      -5.091160      0.963406      3.444064
  C      -3.568911     -0.503400      4.520117
  C      -2.812842     -1.285134      1.688372
  C      -2.334233     -1.561958      0.413981
  O      -1.432137     -2.569432      0.201787
  C      -9.799050      9.085842      5.512803
  C      -9.469613      7.867236      4.705429
  O     -10.309926      7.406743      3.905565
  C      -8.177098      7.172904      4.880830
  C      -7.190545      7.647694      5.758674
  C      -5.998857      6.960731      5.962640
  O      -5.030887      7.427157      6.801658
  C      -5.776826      5.729015      5.283390
  C      -4.638343      4.861223      5.535388
  O      -4.588088      3.743330      4.921019
  C      -3.528096      5.108488      6.506295
  C      -6.750312      5.269038      4.376981
  C      -7.936783      5.963078      4.159136
  O      -8.836707      5.457011      3.302761
  C     -12.685370      4.877746      5.711504
  C     -11.523318      5.490660      6.457236
  O     -11.630255      6.619592      6.926889
  C     -10.239373      4.727095      6.648717
  C      -9.348530      5.285802      7.572820
  C      -8.119292      4.704563      7.872331
  O      -7.311707      5.317101      8.761082
  C      -7.746356      3.495387      7.210421
  C      -6.419768      2.924708      7.467214
  O      -5.652099      3.461796      8.293968
  C      -5.942033      1.696850      6.692432
  C      -8.636583      2.937697      6.278168
  C      -9.863058      3.528434      5.981479
  O     -10.599928      2.880732      5.032452
  H      -0.473431     -2.013387     -2.005726
  H      -1.278410     -2.032995     -3.617022
  H      -1.872673     -3.046498     -2.249305
  H      -4.034833      0.835710     -1.303498
  H      -5.325948      1.523276      1.944744
  H      -4.346299     -0.593555      5.298916
  H      -3.098622     -1.485479      4.368029
  H      -2.451468     -1.892607      2.520062
  H      -1.258934     -3.018591      1.049242
  H      -9.996370      8.773717      6.551293
  H      -8.978521      9.815491      5.523519
  H     -10.707057      9.547286      5.111150
  H      -7.361526      8.572561      6.312585
  H      -5.363216      8.218399      7.265586
  H      -2.908377      5.939730      6.100973
  H      -3.950354      5.512829      7.446252
  H      -6.591982      4.327720      3.852890
  H      -9.611912      6.114941      3.332933
  H     -12.500170      4.930209      4.622615
  H     -12.864508      3.830962      5.998696
  H     -13.584328      5.472047      5.909663
  H      -9.638924      6.209383      8.073828
  H      -6.496475      4.719869      8.813259
  H      -6.287788      1.773358      5.651452
  H      -6.469194      0.818794      7.121928
  H      -8.379302      2.029372      5.734082
  H     -11.346143      3.432512      4.739113
  N      -2.067580      3.117259      4.128835
  N      -1.597966      4.048743      3.386806
  H      -1.308222      3.856635      2.424160
  H      -1.561966      5.023721      3.702884
96
Coordinates from ORCA-job orca E -6715.739439248657
  N      -2.464539      0.487880      4.979998
  Mo     -3.079690      2.330286      5.528667
  N      -4.442837      1.475373      6.767724
  C      -3.881202      0.999979      8.026821
  C      -2.439130      0.544455      7.819177
  N      -1.650241      1.587604      7.067279
  C      -0.512616      0.972494      6.318034
  C      -1.070836      0.140127      5.139164
  C      -1.168510      2.660509      8.001296
  C      -1.424639      4.010189      7.351370
  N      -2.740782      3.898275      6.781203
  H      -0.481745      0.377208      4.233214
  H      -0.960842     -0.941592      5.327857
  H       0.105096      1.800139      5.948431
  H       0.097112      0.365734      7.008024
  H      -1.374216      4.806070      8.115018
  H      -0.648394      4.236297      6.588378
  H      -1.761950      2.590816      8.920903
  H      -0.111670      2.485205      8.250663
  H      -4.462785      0.153455      8.440167
  H      -3.920122      1.805131      8.783330
  H      -2.409505     -0.376745      7.229387
  H      -1.944472      0.350352      8.783957
  C      -1.948627     -1.913435     -2.668900
  C      -2.703588     -0.730156     -2.128534
  O      -3.082199      0.163688     -2.877125
  C      -3.023987     -0.618085     -0.648215
  C      -3.819277      0.469025     -0.285827
  C      -4.203507      0.703371      1.036693
  O      -4.979967      1.762723      1.315382
  C      -3.749489     -0.179318      2.061523
  C      -4.109340      0.123919      3.435201
  O      -4.844328      1.115295      3.698747
  C      -3.455490     -0.513816      4.652600
  C      -2.942269     -1.277529      1.693251
  C      -2.586430     -1.512366      0.370394
  O      -1.811083     -2.586230      0.029114
  C      -9.788629      9.026432      5.399311
  C      -9.433043      7.789658      4.632492
  O     -10.246819      7.314105      3.813262
  C      -8.138513      7.114260      4.839953
  C      -7.163336      7.617095      5.716089
  C      -5.966209      6.945219      5.945557
  O      -5.009061      7.441968      6.781588
  C      -5.729273      5.700893      5.294799
  C      -4.588548      4.840589      5.569257
  O      -4.534175      3.716145      4.979293
  C      -3.484787      5.108958      6.538682
  C      -6.691675      5.213291      4.393150
  C      -7.882023      5.891145      4.149157
  O      -8.774243      5.356945      3.302419
  C     -12.604907      4.745116      5.410606
  C     -11.473082      5.389460      6.175499
  O     -11.601624      6.532077      6.605338
  C     -10.199902      4.633286      6.447086
  C      -9.341978      5.228522      7.378205
  C      -8.122757      4.660339      7.737260
  O      -7.342108      5.302524      8.626837
  C      -7.723568      3.431990      7.130769
  C      -6.399471      2.887884      7.452694
  O      -5.671187      3.461225      8.291238
  C      -5.873961      1.646842      6.726772
  C      -8.583011      2.833844      6.193889
  C      -9.803254      3.407135      5.840784
  O     -10.519241      2.717988      4.905746
  H      -0.948181     -1.973619     -2.215606
  H      -1.867186     -1.811434     -3.756355
  H      -2.454801     -2.854158     -2.407868
  H      -4.152774      1.147889     -1.071836
  H      -5.147181      1.706724      2.309356
  H      -4.229827     -0.572546      5.436569
  H      -3.022237     -1.512866      4.501388
  H      -2.583693     -1.967830      2.459127
  H      -1.624821     -3.105245      0.832372
  H     -10.007644      8.741626      6.441399
  H      -8.974348      9.763946      5.410859
  H     -10.690165      9.470069      4.963902
  H      -7.347645      8.552778      6.247333
  H      -5.355129      8.239656      7.223884
  H      -2.875318      5.941157      6.118320
  H      -3.904002      5.528978      7.473381
  H      -6.520349      4.259482      3.896361
  H      -9.558178      6.005360      3.317691
  H     -12.381707      4.761159      4.327129
  H     -12.789980      3.706865      5.724419
  H     -13.513259      5.341164      5.554242
  H      -9.647603      6.170845      7.833568
  H      -6.528218      4.710532      8.718430
  H      -6.192237      1.697474      5.675385
  H      -6.400892      0.771587      7.161244
  H      -8.305903      1.905102      5.695412
  H     -11.264312      3.254687      4.581396
  N      -2.000158      3.095045      4.188648
  N      -1.561022      4.036460      3.447986
  H      -1.242920      3.852066      2.490775
  H      -1.562887      5.019182      3.749679
96
Coordinates from ORCA-job orca E -6715.740544381300
  N      -2.407022      0.483803      5.035095
  Mo     -3.064191      2.313570      5.570626
  N      -4.421812      1.442863      6.809081
  C      -3.859557      0.993238      8.078038
  C      -2.414080      0.546847      7.876383
  N      -1.630386      1.593475      7.122225
  C      -0.479447      0.984514      6.388076
  C      -1.017452      0.136233      5.212872
  C      -1.161657      2.675323      8.051827
  C      -1.429590      4.017945      7.393086
  N      -2.744855      3.891704      6.822792
  H      -0.414586      0.361105      4.312918
  H      -0.910188     -0.943417      5.416248
  H       0.133602      1.815062      6.017004
  H       0.129967      0.389735      7.088717
  H      -1.389235      4.817667      8.153574
  H      -0.654946      4.249725      6.630360
  H      -1.754327      2.604756      8.971819
  H      -0.103204      2.512750      8.303110
  H      -4.435053      0.148625      8.503826
  H      -3.906363      1.809163      8.822068
  H      -2.377667     -0.375114      7.288245
  H      -1.919749      0.358337      8.842397
  C      -2.193216     -1.876255     -2.727805
  C      -2.824933     -0.645142     -2.138341
  O      -3.139072      0.299481     -2.853414
  C      -3.100173     -0.545568     -0.647623
  C      -3.796258      0.592122     -0.239994
  C      -4.128849      0.821509      1.097215
  O      -4.811545      1.930438      1.422895
  C      -3.722885     -0.119664      2.089409
  C      -4.024605      0.183979      3.474366
  O      -4.671949      1.228722      3.771218
  C      -3.400623     -0.502053      4.678647
  C      -3.015512     -1.270122      1.675407
  C      -2.711672     -1.498012      0.338368
  O      -2.033020     -2.619743     -0.049028
  C      -9.777132      9.009807      5.325177
  C      -9.414746      7.764837      4.574819
  O     -10.220582      7.281586      3.752297
  C      -8.122570      7.091902      4.800474
  C      -7.149776      7.607847      5.672016
  C      -5.953472      6.938736      5.915625
  O      -4.994886      7.453184      6.739810
  C      -5.718461      5.681095      5.289956
  C      -4.580138      4.822122      5.580764
  O      -4.527872      3.689681      5.009295
  C      -3.475758      5.104062      6.544473
  C      -6.678761      5.180215      4.394013
  C      -7.864929      5.857988      4.130731
  O      -8.753154      5.314622      3.285607
  C     -12.578024      4.675494      5.326690
  C     -11.451636      5.336316      6.085687
  O     -11.581508      6.489264      6.486859
  C     -10.182453      4.584549      6.384818
  C      -9.330515      5.200203      7.308156
  C      -8.114753      4.638999      7.688664
  O      -7.340499      5.297549      8.571306
  C      -7.710724      3.398795      7.110964
  C      -6.388997      2.862853      7.456353
  O      -5.670677      3.453787      8.291256
  C      -5.853929      1.607649      6.760703
  C      -8.564567      2.779269      6.182844
  C      -9.784070      3.342953      5.811374
  O     -10.497670      2.628934      4.893356
  H      -1.188713     -2.033591     -2.307692
  H      -2.134742     -1.755030     -3.814760
  H      -2.771260     -2.776002     -2.471619
  H      -4.092859      1.315496     -1.000719
  H      -4.958796      1.860703      2.418301
  H      -4.186212     -0.554794      5.452781
  H      -2.986077     -1.507234      4.518264
  H      -2.695736     -2.006204      2.415348
  H      -1.864771     -3.171010      0.736393
  H      -9.996742      8.737993      6.370545
  H      -8.965545      9.750656      5.328636
  H     -10.679148      9.444642      4.881903
  H      -7.333495      8.553720      6.185136
  H      -5.339420      8.261366      7.163789
  H      -2.856791      5.916383      6.098873
  H      -3.885857      5.556197      7.467753
  H      -6.507750      4.217206      3.915207
  H      -9.533461      5.967520      3.283632
  H     -12.344050      4.661044      4.245404
  H     -12.770408      3.646872      5.667141
  H     -13.485699      5.278194      5.444867
  H      -9.638676      6.152793      7.739913
  H      -6.528481      4.706651      8.680527
  H      -6.167506      1.637028      5.706948
  H      -6.379327      0.740440      7.212532
  H      -8.285200      1.838643      5.708492
  H     -11.251696      3.150229      4.564520
  N      -1.992888      3.097662      4.229531
  N      -1.575641      4.064360      3.509441
  H      -1.263713      3.908109      2.544925
  H      -1.604028      5.041456      3.828883
96
Coordinates from ORCA-job orca E -6715.741363649828
  N      -2.349641      0.475252      5.093637
  Mo     -3.048137      2.292597      5.612249
  N      -4.399866      1.408754      6.852360
  C      -3.837372      0.987270      8.131502
  C      -2.388764      0.549258      7.936388
  N      -1.610207      1.597781      7.177912
  C      -0.446382      0.993794      6.459870
  C      -0.964439      0.128039      5.290207
  C      -1.154160      2.689940      8.100941
  C      -1.433628      4.024174      7.430891
  N      -2.748119      3.883061      6.861078
  H      -0.347845      0.339531      4.396361
  H      -0.860341     -0.949117      5.509534
  H       0.162005      1.826475      6.085696
  H       0.162591      0.412244      7.171933
  H      -1.402983      4.828993      8.186705
  H      -0.660754      4.259975      6.667791
  H      -1.745889      2.620409      9.021575
  H      -0.094227      2.540321      8.354164
  H      -4.407078      0.145804      8.571288
  H      -3.891840      1.815024      8.861408
  H      -2.345900     -0.374514      7.351622
  H      -1.894670      0.367975      8.903866
  C      -2.450947     -1.807351     -2.776786
  C      -2.953183     -0.541573     -2.138185
  O      -3.198483      0.447675     -2.818752
  C      -3.182036     -0.460125     -0.638095
  C      -3.773226      0.718451     -0.184345
  C      -4.052529      0.936841      1.166736
  O      -4.635971      2.086219      1.540194
  C      -3.698688     -0.059249      2.124515
  C      -3.939446      0.238100      3.520153
  O      -4.493592      1.328041      3.851754
  C      -3.345272     -0.494749      4.709286
  C      -3.097066     -1.252209      1.663782
  C      -2.846742     -1.467027      0.313483
  O      -2.270136     -2.627159     -0.120832
  C      -9.762947      8.988447      5.239455
  C      -9.393914      7.734269      4.507750
  O     -10.191599      7.242204      3.682562
  C      -8.104363      7.064217      4.752787
  C      -7.133889      7.594301      5.618820
  C      -5.938632      6.928263      5.877691
  O      -4.978498      7.461065      6.688919
  C      -5.705949      5.656814      5.279374
  C      -4.570374      4.799489      5.587932
  O      -4.520712      3.658499      5.036984
  C      -3.465134      5.095864      6.545127
  C      -6.664224      5.141628      4.390067
  C      -7.845890      5.818775      4.106261
  O      -8.730120      5.265079      3.263641
  C     -12.548129      4.603215      5.241836
  C     -11.426682      5.280836      5.993463
  O     -11.557030      6.443970      6.364254
  C     -10.162084      4.533903      6.320932
  C      -9.315708      5.170571      7.235099
  C      -8.103816      4.616758      7.637536
  O      -7.335548      5.292336      8.511948
  C      -7.695775      3.364390      7.090522
  C      -6.376812      2.837106      7.459827
  O      -5.668189      3.446529      8.289696
  C      -5.832882      1.567199      6.796675
  C      -8.544459      2.722911      6.172577
  C      -9.762870      3.276742      5.782362
  O     -10.474695      2.537575      4.883086
  H      -1.451226     -2.061691     -2.394118
  H      -2.415394     -1.663248     -3.861934
  H      -3.096777     -2.660373     -2.522682
  H      -4.029731      1.483542     -0.918403
  H      -4.763160      2.000210      2.536237
  H      -4.141288     -0.540924      5.474162
  H      -2.949493     -1.505566      4.539413
  H      -2.819342     -2.031044      2.376386
  H      -2.121807     -3.210030      0.645423
  H      -9.983494      8.731354      6.288295
  H      -8.953881      9.732325      5.233778
  H     -10.665200      9.413868      4.787560
  H      -7.316754      8.550840      6.112125
  H      -5.321267      8.280052      7.093042
  H      -2.836499      5.886469      6.073793
  H      -3.865576      5.581209      7.455285
  H      -6.493812      4.168969      3.930980
  H      -9.506511      5.922260      3.243190
  H     -12.303601      4.556729      4.163732
  H     -12.748556      3.585574      5.609950
  H     -13.454542      5.212446      5.333618
  H      -9.625718      6.133586      7.641761
  H      -6.525763      4.702710      8.639450
  H      -6.141893      1.573774      5.741034
  H      -6.357127      0.709396      7.267133
  H      -8.263506      1.770240      5.723885
  H     -11.237259      3.043465      4.549820
  N      -1.985426      3.093261      4.268583
  N      -1.590818      4.083566      3.568405
  H      -1.285301      3.954124      2.597598
  H      -1.646446      5.054428      3.904117
96
Coordinates from ORCA-job orca E -6715.742044830376
  N      -2.326628      0.491243      5.099344
  Mo     -3.046560      2.297265      5.627468
  N      -4.396700      1.395476      6.856004
  C      -3.835766      0.977211      8.136971
  C      -2.385934      0.543433      7.943889
  N      -1.609742      1.600549      7.196003
  C      -0.438172      1.008696      6.481887
  C      -0.943850      0.144455      5.306681
  C      -1.164006      2.688545      8.128076
  C      -1.450321      4.025750      7.467951
  N      -2.762740      3.880673      6.893228
  H      -0.318497      0.355450      4.418552
  H      -0.840345     -0.932609      5.527435
  H       0.167848      1.846647      6.115840
  H       0.169892      0.426220      7.193962
  H      -1.428140      4.823371      8.231826
  H      -0.677249      4.274731      6.709295
  H      -1.757038      2.608707      9.046997
  H      -0.103581      2.545349      8.382484
  H      -4.404332      0.135564      8.577425
  H      -3.891861      1.807245      8.864494
  H      -2.340364     -0.375016      7.350886
  H      -1.894330      0.355456      8.911313
  C      -2.522651     -1.839718     -2.797023
  C      -2.985245     -0.558889     -2.158555
  O      -3.212286      0.434051     -2.840183
  C      -3.197099     -0.468157     -0.657260
  C      -3.761616      0.722536     -0.200853
  C      -4.023590      0.949595      1.151978
  O      -4.582111      2.110602      1.528214
  C      -3.678859     -0.049487      2.109221
  C      -3.901198      0.258687      3.504808
  O      -4.443141      1.355319      3.834831
  C      -3.315168     -0.477121      4.695946
  C      -3.105032     -1.255229      1.645857
  C      -2.871505     -1.478602      0.293821
  O      -2.320841     -2.649989     -0.142877
  C      -9.748873      9.007379      5.230201
  C      -9.376731      7.757053      4.492925
  O     -10.170828      7.269297      3.662194
  C      -8.090324      7.082969      4.745138
  C      -7.122221      7.609399      5.616216
  C      -5.930044      6.939539      5.879884
  O      -4.967846      7.474104      6.687342
  C      -5.701539      5.664390      5.287579
  C      -4.570248      4.802962      5.601606
  O      -4.522331      3.661349      5.052769
  C      -3.466278      5.097917      6.560373
  C      -6.657203      5.153248      4.393230
  C      -7.831749      5.837855      4.098730
  O      -8.708581      5.293023      3.242512
  C     -12.555191      4.568261      5.238666
  C     -11.429594      5.253799      5.977281
  O     -11.555588      6.422873      6.331194
  C     -10.164960      4.509606      6.307880
  C      -9.314523      5.156533      7.211521
  C      -8.101878      4.607295      7.616896
  O      -7.333587      5.290590      8.485429
  C      -7.694116      3.350277      7.080667
  C      -6.374622      2.826366      7.452652
  O      -5.666610      3.441538      8.278479
  C      -5.830261      1.551146      6.799662
  C      -8.546888      2.698102      6.174282
  C      -9.768812      3.245073      5.784960
  O     -10.486936      2.489788      4.904094
  H      -1.523118     -2.114361     -2.428454
  H      -2.500429     -1.702693     -3.883396
  H      -3.184375     -2.675699     -2.527820
  H      -4.011189      1.490475     -0.934237
  H      -4.700622      2.030437      2.524967
  H      -4.118251     -0.531784      5.453608
  H      -2.914341     -1.485138      4.522486
  H      -2.837014     -2.037818      2.357787
  H      -2.172641     -3.233374      0.622914
  H      -9.970314      8.744732      6.277364
  H      -8.940524      9.751968      5.228244
  H     -10.650949      9.433911      4.779140
  H      -7.302581      8.567947      6.106363
  H      -5.306433      8.297563      7.085718
  H      -2.826973      5.876126      6.082564
  H      -3.864222      5.596553      7.464146
  H      -6.488493      4.180319      3.934191
  H      -9.476249      5.958921      3.208352
  H     -12.313555      4.504410      4.160945
  H     -12.758070      3.557592      5.624177
  H     -13.459340      5.181721      5.323917
  H      -9.623699      6.123630      7.608891
  H      -6.523575      4.702990      8.618015
  H      -6.137914      1.550664      5.743532
  H      -6.354071      0.697040      7.277221
  H      -8.268936      1.739479      5.736746
  H     -11.260794      2.982484      4.577811
  N      -1.987064      3.121023      4.294001
  N      -1.600409      4.132795      3.618109
  H      -1.299873      4.026854      2.643450
  H      -1.689919      5.094892      3.969638
96
Coordinates from ORCA-job orca E -6715.742763034648
  N      -2.285040      0.513275      5.114082
  Mo     -3.037877      2.298342      5.663138
  N      -4.385033      1.369409      6.873164
  C      -3.823464      0.958170      8.156450
  C      -2.371562      0.533235      7.965015
  N      -1.601034      1.604297      7.231899
  C      -0.418175      1.033263      6.520055
  C      -0.904503      0.171494      5.336418
  C      -1.173091      2.690293      8.174870
  C      -1.474221      4.029842      7.527618
  N      -2.783192      3.874912      6.945755
  H      -0.268406      0.385403      4.456267
  H      -0.799027     -0.905766      5.556563
  H       0.180798      1.881435      6.166353
  H       0.191644      0.451270      7.231100
  H      -1.466877      4.819051      8.300772
  H      -0.701775      4.298073      6.775098
  H      -1.766009      2.593721      9.092166
  H      -0.111174      2.559945      8.429484
  H      -4.388884      0.116383      8.599792
  H      -3.881862      1.793368      8.878570
  H      -2.319254     -0.376973      7.359562
  H      -1.882022      0.336664      8.931809
  C      -2.675483     -1.835284     -2.823659
  C      -3.095001     -0.545151     -2.174936
  O      -3.322010      0.451239     -2.851451
  C      -3.265161     -0.449243     -0.668533
  C      -3.808314      0.746602     -0.200667
  C      -4.034866      0.978379      1.157757
  O      -4.573389      2.145279      1.543948
  C      -3.673755     -0.021570      2.108257
  C      -3.860596      0.288213      3.508875
  O      -4.411758      1.373977      3.855589
  C      -3.260954     -0.457265      4.687274
  C      -3.121292     -1.232741      1.632743
  C      -2.923018     -1.460464      0.275792
  O      -2.392352     -2.636307     -0.173431
  C      -9.722174      9.017249      5.165408
  C      -9.352025      7.759714      4.439061
  O     -10.145262      7.267758      3.610014
  C      -8.072740      7.078576      4.709856
  C      -7.106891      7.610086      5.580471
  C      -5.920103      6.937050      5.858362
  O      -4.956535      7.479068      6.659387
  C      -5.696627      5.651436      5.286193
  C      -4.569260      4.791537      5.615514
  O      -4.518361      3.643217      5.076382
  C      -3.468226      5.094294      6.576253
  C      -6.650706      5.134014      4.393470
  C      -7.817694      5.823681      4.080859
  O      -8.690734      5.276130      3.222496
  C     -12.524666      4.538440      5.184539
  C     -11.407363      5.222138      5.937434
  O     -11.531757      6.394599      6.280162
  C     -10.147044      4.477026      6.282614
  C      -9.305580      5.126089      7.193630
  C      -8.096628      4.578751      7.612245
  O      -7.339792      5.261558      8.491411
  C      -7.681551      3.322948      7.079054
  C      -6.365017      2.799630      7.461239
  O      -5.662194      3.415664      8.290590
  C      -5.819222      1.520733      6.818304
  C      -8.525756      2.668100      6.166972
  C      -9.746044      3.211214      5.767395
  O     -10.453840      2.450058      4.882889
  H      -1.666223     -2.121756     -2.492816
  H      -2.693013     -1.703310     -3.910762
  H      -3.337681     -2.660529     -2.524556
  H      -4.069942      1.515149     -0.929148
  H      -4.665445      2.069555      2.544093
  H      -4.062985     -0.539682      5.444503
  H      -2.844009     -1.455143      4.495178
  H      -2.845383     -2.017629      2.339168
  H      -2.224551     -3.219062      0.588798
  H      -9.940131      8.766082      6.215858
  H      -8.912889      9.760681      5.152962
  H     -10.624953      9.440359      4.712666
  H      -7.283085      8.576641      6.056163
  H      -5.290332      8.311556      7.042680
  H      -2.812901      5.850520      6.084977
  H      -3.862631      5.618132      7.466469
  H      -6.485810      4.154540      3.947138
  H      -9.451293      5.949855      3.172348
  H     -12.264148      4.461494      4.112166
  H     -12.742766      3.533692      5.577417
  H     -13.425373      5.159492      5.247954
  H      -9.620294      6.093262      7.586253
  H      -6.532691      4.672692      8.636197
  H      -6.126469      1.509868      5.762002
  H      -6.339794      0.669789      7.304934
  H      -8.242711      1.709480      5.732910
  H     -11.235311      2.931079      4.557825
  N      -1.973759      3.162168      4.353276
  N      -1.595903      4.200165      3.711418
  H      -1.307195      4.130432      2.729953
  H      -1.691605      5.148294      4.096906
96
Coordinates from ORCA-job orca E -6715.743246026488
  N      -2.265438      0.546379      5.101226
  Mo     -3.038741      2.313306      5.677401
  N      -4.381894      1.357851      6.871333
  C      -3.819479      0.942857      8.152938
  C      -2.366396      0.525215      7.958561
  N      -1.601295      1.610379      7.241647
  C      -0.411522      1.058543      6.527454
  C      -0.886651      0.205077      5.334357
  C      -1.184803      2.687215      8.200038
  C      -1.497318      4.033059      7.572467
  N      -2.803943      3.875521      6.984981
  H      -0.242673      0.423277      4.460917
  H      -0.781094     -0.873232      5.550023
  H       0.181672      1.915525      6.185545
  H       0.200722      0.473327      7.233810
  H      -1.499920      4.809638      8.358594
  H      -0.726062      4.321491      6.826189
  H      -1.776961      2.572163      9.115685
  H      -0.121859      2.564007      8.453633
  H      -4.382210      0.097879      8.593225
  H      -3.879470      1.776353      8.877315
  H      -2.310857     -0.375387      7.339057
  H      -1.877102      0.316417      8.922900
  C      -2.732230     -1.904951     -2.839608
  C      -3.124275     -0.600292     -2.203075
  O      -3.342164      0.391299     -2.889676
  C      -3.277453     -0.483802     -0.696703
  C      -3.809217      0.721008     -0.238759
  C      -4.023399      0.970311      1.118467
  O      -4.551284      2.145075      1.494985
  C      -3.659255     -0.020097      2.078050
  C      -3.834015      0.305910      3.476113
  O      -4.380874      1.394057      3.816831
  C      -3.229333     -0.430093      4.657445
  C      -3.116864     -1.239669      1.612603
  C      -2.931984     -1.485276      0.256771
  O      -2.411712     -2.669035     -0.183290
  C      -9.706111      9.052222      5.166467
  C      -9.337082      7.796111      4.436691
  O     -10.127593      7.311087      3.601267
  C      -8.064185      7.106202      4.716834
  C      -7.101569      7.630325      5.595618
  C      -5.919488      6.951103      5.878509
  O      -4.955259      7.489879      6.681041
  C      -5.700237      5.663945      5.307799
  C      -4.576692      4.800178      5.639873
  O      -4.524970      3.652971      5.097681
  C      -3.478319      5.098807      6.605562
  C      -6.651399      5.153375      4.407945
  C      -7.810526      5.852006      4.085931
  O      -8.676750      5.315372      3.213954
  C     -12.518035      4.518984      5.163286
  C     -11.401804      5.201834      5.918802
  O     -11.520491      6.378460      6.249378
  C     -10.147000      4.453219      6.274773
  C      -9.304535      5.107791      7.181467
  C      -8.096228      4.562630      7.604161
  O      -7.339647      5.249967      8.480321
  C      -7.680569      3.304814      7.076643
  C      -6.363986      2.783529      7.460548
  O      -5.663264      3.400121      8.290862
  C      -5.816839      1.504542      6.819697
  C      -8.526352      2.643451      6.171020
  C      -9.748982      3.181580      5.771742
  O     -10.459952      2.408384      4.900015
  H      -1.718982     -2.196467     -2.525605
  H      -2.770611     -1.789692     -3.928104
  H      -3.396607     -2.718077     -2.513641
  H      -4.072471      1.482348     -0.974147
  H      -4.637548      2.080223      2.497122
  H      -4.035342     -0.529978      5.408952
  H      -2.795980     -1.420650      4.462608
  H      -2.841345     -2.017914      2.326711
  H      -2.237074     -3.243245      0.583841
  H      -9.923111      8.799476      6.216568
  H      -8.895775      9.794539      5.154423
  H     -10.608559      9.477545      4.715168
  H      -7.274842      8.597590      6.071021
  H      -5.285259      8.325155      7.061557
  H      -2.814168      5.847499      6.114542
  H      -3.872162      5.629516      7.491729
  H      -6.488555      4.174611      3.959258
  H      -9.428334      5.998425      3.153420
  H     -12.247069      4.425008      4.094870
  H     -12.750093      3.522083      5.568293
  H     -13.413400      5.149188      5.209643
  H      -9.617850      6.078777      7.565698
  H      -6.530682      4.664286      8.626066
  H      -6.125463      1.489842      5.764006
  H      -6.333644      0.653761      7.310522
  H      -8.244560      1.681268      5.744170
  H     -11.253541      2.875638      4.584818
  N      -1.976733      3.211264      4.389118
  N      -1.608004      4.273598      3.780315
  H      -1.319950      4.235761      2.797244
  H      -1.720126      5.207823      4.193167
96
Coordinates from ORCA-job orca E -6715.743614817421
  N      -2.210110      0.580156      5.115767
  Mo     -3.014437      2.326216      5.706811
  N      -4.356251      1.341165      6.880426
  C      -3.798811      0.926217      8.164160
  C      -2.341174      0.523244      7.975714
  N      -1.582489      1.624327      7.276898
  C      -0.379228      1.094685      6.569182
  C      -0.833425      0.243233      5.367508
  C      -1.187093      2.695102      8.250761
  C      -1.513139      4.044207      7.637699
  N      -2.813000      3.877982      7.037002
  H      -0.177508      0.464594      4.503877
  H      -0.726233     -0.835097      5.582956
  H       0.205199      1.961927      6.238217
  H       0.234987      0.512621      7.276458
  H      -1.533416      4.809597      8.434695
  H      -0.739994      4.354574      6.902205
  H      -1.782853      2.560913      9.161450
  H      -0.124250      2.583647      8.509993
  H      -4.356889      0.074993      8.598240
  H      -3.870325      1.756909      8.890772
  H      -2.274479     -0.368561      7.344700
  H      -1.856028      0.306447      8.940333
  C      -2.942805     -1.913666     -2.855007
  C      -3.279870     -0.598016     -2.209780
  O      -3.499003      0.396528     -2.891727
  C      -3.376165     -0.474043     -0.699568
  C      -3.875471      0.739303     -0.227635
  C      -4.039311      0.994523      1.135364
  O      -4.536859      2.176817      1.528664
  C      -3.654594      0.002207      2.084691
  C      -3.781494      0.335288      3.485024
  O      -4.315868      1.424258      3.839619
  C      -3.159626     -0.403469      4.655084
  C      -3.143658     -1.225610      1.605344
  C      -3.009723     -1.477226      0.244501
  O      -2.520334     -2.668195     -0.210512
  C      -9.683500      9.065516      5.122288
  C      -9.304232      7.811988      4.392886
  O     -10.078596      7.335564      3.537838
  C      -8.040142      7.115924      4.696265
  C      -7.092537      7.634067      5.594770
  C      -5.916295      6.951937      5.894684
  O      -4.962367      7.489292      6.710574
  C      -5.690825      5.665207      5.325438
  C      -4.570805      4.801148      5.669371
  O      -4.509988      3.655835      5.125208
  C      -3.483753      5.100766      6.647951
  C      -6.627496      5.159726      4.407801
  C      -7.777305      5.863949      4.064805
  O      -8.625529      5.336335      3.170027
  C     -12.473810      4.467091      5.057539
  C     -11.374061      5.151000      5.836060
  O     -11.497446      6.329700      6.157515
  C     -10.128335      4.402304      6.220805
  C      -9.300124      5.063009      7.136552
  C      -8.096669      4.522880      7.578800
  O      -7.356538      5.213526      8.466364
  C      -7.667960      3.266467      7.058439
  C      -6.353102      2.752482      7.457676
  O      -5.664892      3.372480      8.295574
  C      -5.792292      1.476839      6.822033
  C      -8.501189      2.597295      6.147101
  C      -9.722770      3.126868      5.733497
  O     -10.424222      2.340846      4.865460
  H      -1.920387     -2.220518     -2.588586
  H      -3.031034     -1.804448     -3.941232
  H      -3.604423     -2.712890     -2.491547
  H      -4.153703      1.502307     -0.955686
  H      -4.587891      2.113159      2.533910
  H      -3.963945     -0.525383      5.405674
  H      -2.710402     -1.384877      4.449349
  H      -2.855480     -2.005429      2.312856
  H      -2.323428     -3.242493      0.551066
  H      -9.911733      8.810816      6.169428
  H      -8.873511      9.808414      5.121115
  H     -10.580727      9.491598      4.661417
  H      -7.271237      8.600781      6.069349
  H      -5.296055      8.325270      7.086281
  H      -2.814080      5.848667      6.163129
  H      -3.885882      5.633915      7.528821
  H      -6.458209      4.182804      3.957496
  H      -9.369872      6.025747      3.092484
  H     -12.174459      4.360058      3.997928
  H     -12.723098      3.476126      5.467257
  H     -13.366446      5.102628      5.073546
  H      -9.620598      6.035660      7.510490
  H      -6.547210      4.632097      8.625010
  H      -6.095235      1.457821      5.764953
  H      -6.304486      0.623289      7.312802
  H      -8.211378      1.633578      5.729258
  H     -11.228456      2.791909      4.553962
  N      -1.952706      3.258192      4.442400
  N      -1.597178      4.344304      3.867318
  H      -1.297093      4.337369      2.887368
  H      -1.740212      5.265087      4.299865
96
Coordinates from ORCA-job orca E -6715.744131446426
  N      -2.152252      0.632496      5.115466
  Mo     -2.990922      2.348670      5.735969
  N      -4.329634      1.326422      6.882426
  C      -3.777511      0.902826      8.166114
  C      -2.314606      0.518460      7.981712
  N      -1.564876      1.640568      7.307593
  C      -0.347140      1.139911      6.604210
  C      -0.778388      0.298162      5.388371
  C      -1.193991      2.699760      8.303979
  C      -1.531577      4.055501      7.713002
  N      -2.821579      3.884490      7.092520
  H      -0.108953      0.527433      4.537415
  H      -0.670162     -0.781445      5.597485
  H       0.227390      2.020141      6.290641
  H       0.269278      0.557061      7.308986
  H      -1.572873      4.804223      8.525097
  H      -0.754291      4.392902      6.993990
  H      -1.796427      2.540526      9.206231
  H      -0.132387      2.598634      8.572381
  H      -4.329785      0.040874      8.586084
  H      -3.863259      1.724737      8.901301
  H      -2.235211     -0.360274      7.333954
  H      -1.832566      0.288850      8.944892
  C      -3.144917     -1.964248     -2.858890
  C      -3.435741     -0.634319     -2.220604
  O      -3.662949      0.354703     -2.907930
  C      -3.474932     -0.488966     -0.709873
  C      -3.951312      0.733118     -0.236766
  C      -4.065885      1.006120      1.127854
  O      -4.545211      2.194556      1.524485
  C      -3.650393      0.024145      2.075416
  C      -3.728087      0.374887      3.473984
  O      -4.252290      1.464898      3.835707
  C      -3.085310     -0.358931      4.636012
  C      -3.162400     -1.212532      1.594658
  C      -3.078676     -1.481866      0.233147
  O      -2.610266     -2.679840     -0.225100
  C      -9.663014      9.088438      5.096739
  C      -9.273360      7.838517      4.366094
  O     -10.032043      7.370897      3.492277
  C      -8.020012      7.134611      4.693062
  C      -7.089454      7.643210      5.614749
  C      -5.920373      6.956588      5.931422
  O      -4.979348      7.488515      6.766063
  C      -5.686849      5.672783      5.358211
  C      -4.570011      4.808739      5.711563
  O      -4.495935      3.667674      5.158589
  C      -3.496437      5.106364      6.706429
  C      -6.607399      5.175868      4.419711
  C      -7.747532      5.886646      4.057925
  O      -8.577451      5.371024      3.139359
  C     -12.421644      4.425714      4.940121
  C     -11.340421      5.105112      5.748168
  O     -11.466003      6.285551      6.062642
  C     -10.107016      4.352708      6.163130
  C      -9.294200      5.016131      7.091076
  C      -8.097365      4.478510      7.553520
  O      -7.373881      5.169395      8.454685
  C      -7.656075      3.224752      7.037661
  C      -6.343799      2.716894      7.452378
  O      -5.671787      3.334899      8.304495
  C      -5.767128      1.448207      6.817278
  C      -8.475710      2.550968      6.117578
  C      -9.694904      3.074201      5.689110
  O     -10.385350      2.278683      4.820777
  H      -2.112646     -2.275938     -2.639595
  H      -3.286012     -1.872138     -3.941139
  H      -3.794054     -2.750960     -2.448840
  H      -4.252115      1.487995     -0.964300
  H      -4.565089      2.140714      2.532110
  H      -3.888159     -0.503275      5.385034
  H      -2.618096     -1.330357      4.422124
  H      -2.855031     -1.984705      2.302699
  H      -2.384888     -3.245327      0.535129
  H      -9.899022      8.831499      6.141554
  H      -8.854404      9.833017      5.104209
  H     -10.556720      9.514252      4.628827
  H      -7.274538      8.607428      6.092144
  H      -5.318142      8.323139      7.140204
  H      -2.825295      5.862143      6.236186
  H      -3.909714      5.630605      7.587304
  H      -6.430860      4.202525      3.964311
  H      -9.314735      6.066815      3.048660
  H     -12.088716      4.304760      3.892017
  H     -12.695436      3.441806      5.351916
  H     -13.307716      5.070303      4.921503
  H      -9.620774      5.990359      7.455565
  H      -6.565007      4.591322      8.625459
  H      -6.064304      1.427508      5.758848
  H      -6.272420      0.589020      7.305324
  H      -8.178068      1.586754      5.706552
  H     -11.199709      2.714281      4.513784
  N      -1.928048      3.325345      4.499894
  N      -1.581939      4.430125      3.956152
  H      -1.269807      4.451664      2.980035
  H      -1.737004      5.338467      4.410286
96
Coordinates from ORCA-job orca E -6715.744663778828
  N      -2.086524      0.689335      5.116756
  Mo     -2.958797      2.375316      5.764712
  N      -4.295235      1.312506      6.878457
  C      -3.749942      0.880349      8.162203
  C      -2.281250      0.515983      7.984504
  N      -1.540452      1.660058      7.338510
  C      -0.307923      1.190201      6.640038
  C      -0.715452      0.358325      5.410263
  C      -1.195792      2.705357      8.358801
  C      -1.550941      4.067359      7.793512
  N      -2.830718      3.889031      7.153821
  H      -0.033103      0.596310      4.572168
  H      -0.605278     -0.722420      5.612814
  H       0.254721      2.084015      6.343771
  H       0.311808      0.607752      7.342283
  H      -1.615261      4.796243      8.622182
  H      -0.771609      4.436182      7.092209
  H      -1.802180      2.517268      9.252820
  H      -0.134900      2.616925      8.634328
  H      -4.295913      0.007640      8.567851
  H      -3.851270      1.693310      8.905516
  H      -2.186910     -0.348475      7.319753
  H      -1.804311      0.272803      8.946842
  C      -3.386039     -2.007341     -2.844431
  C      -3.629748     -0.664726     -2.212982
  O      -3.873720      0.318075     -2.903514
  C      -3.600245     -0.498868     -0.704394
  C      -4.053859      0.730221     -0.226825
  C      -4.108640      1.020190      1.137970
  O      -4.569125      2.213472      1.541816
  C      -3.652618      0.049325      2.078538
  C      -3.673774      0.416520      3.473955
  O      -4.184485      1.508173      3.845417
  C      -3.002127     -0.312305      4.622673
  C      -3.186751     -1.194104      1.593062
  C      -3.162955     -1.480299      0.232592
  O      -2.714811     -2.683518     -0.231695
  C      -9.641436      9.106939      5.072460
  C      -9.237034      7.864242      4.337132
  O      -9.975516      7.408596      3.440121
  C      -7.994664      7.152932      4.688364
  C      -7.085315      7.650162      5.637094
  C      -5.923669      6.959578      5.971910
  O      -4.999505      7.484623      6.829662
  C      -5.678383      5.681157      5.391387
  C      -4.564831      4.816913      5.754799
  O      -4.474316      3.683163      5.189779
  C      -3.509552      5.110144      6.771033
  C      -6.578484      5.194695      4.427954
  C      -7.708472      5.911527      4.046392
  O      -8.515263      5.409577      3.100182
  C     -12.355965      4.376780      4.794838
  C     -11.299909      5.050016      5.640608
  O     -11.432619      6.229820      5.954826
  C     -10.079639      4.294827      6.086890
  C      -9.288174      4.957895      7.033745
  C      -8.099671      4.422684      7.519455
  O      -7.399015      5.110862      8.440610
  C      -7.640902      3.174949      7.004638
  C      -6.332442      2.673912      7.439156
  O      -5.682709      3.287419      8.311270
  C      -5.733892      1.416471      6.802264
  C      -8.440821      2.499758      6.068559
  C      -9.656268      3.016555      5.621820
  O     -10.329881      2.214866      4.746011
  H      -2.344110     -2.321605     -2.681033
  H      -3.588612     -1.931825     -3.918186
  H      -4.014166     -2.783085     -2.384119
  H      -4.385269      1.476409     -0.949993
  H      -4.546695      2.169708      2.550385
  H      -3.798522     -0.483751      5.373648
  H      -2.514617     -1.270910      4.396292
  H      -2.851298     -1.957603      2.297897
  H      -2.453421     -3.239596      0.523891
  H      -9.888878      8.843092      6.112832
  H      -8.835370      9.854171      5.094931
  H     -10.530234      9.533331      4.595820
  H      -7.279806      8.610036      6.119626
  H      -5.345750      8.316323      7.203492
  H      -2.836824      5.876590      6.320809
  H      -3.939182      5.622224      7.651162
  H      -6.391341      4.226865      3.964956
  H      -9.245368      6.111218      2.995301
  H     -11.984932      4.248516      3.760484
  H     -12.653637      3.397078      5.200816
  H     -13.235783      5.027944      4.741507
  H      -9.624193      5.931227      7.391972
  H      -6.590063      4.537324      8.624061
  H      -6.021576      1.396647      5.741413
  H      -6.231651      0.548567      7.282609
  H      -8.131502      1.537709      5.661176
  H     -11.153853      2.634413      4.442493
  N      -1.895954      3.396338      4.562884
  N      -1.562844      4.523596      4.058335
  H      -1.234545      4.579899      3.089029
  H      -1.738581      5.415298      4.536940
96
Coordinates from ORCA-job orca E -6715.745225881366
  N      -2.015443      0.753141      5.115615
  Mo     -2.925352      2.404198      5.792878
  N      -4.257206      1.296747      6.870092
  C      -3.719005      0.853048      8.152990
  C      -2.243890      0.512628      7.982880
  N      -1.514621      1.681003      7.368498
  C      -0.266250      1.246060      6.675872
  C      -0.647385      0.426397      5.430534
  C      -1.199306      2.709888      8.414698
  C      -1.573807      4.077782      7.877327
  N      -2.841698      3.892379      7.216009
  H       0.048107      0.675731      4.606847
  H      -0.533916     -0.655696      5.624315
  H       0.282537      2.154728      6.399418
  H       0.357325      0.663927      7.375020
  H      -1.663451      4.784045      8.723238
  H      -0.792856      4.480456      7.196646
  H      -1.809873      2.490150      9.298620
  H      -0.139633      2.635237      8.698827
  H      -4.256850     -0.032716      8.540695
  H      -3.838846      1.653932      8.906746
  H      -2.131951     -0.335198      7.299741
  H      -1.772036      0.254748      8.943840
  C      -3.647263     -2.055049     -2.812658
  C      -3.841552     -0.698963     -2.192875
  O      -4.106589      0.275872     -2.886928
  C      -3.736181     -0.509776     -0.690649
  C      -4.165962      0.726663     -0.209812
  C      -4.155011      1.035706      1.151829
  O      -4.596170      2.233871      1.562225
  C      -3.653508      0.077855      2.082718
  C      -3.613955      0.463208      3.471860
  O      -4.110287      1.556815      3.852809
  C      -2.911751     -0.259218      4.606020
  C      -3.210523     -1.172582      1.593556
  C      -3.252603     -1.477759      0.237641
  O      -2.826053     -2.686602     -0.231877
  C      -9.620114      9.126466      5.050222
  C      -9.199810      7.891564      4.310282
  O      -9.915268      7.449840      3.388084
  C      -7.969671      7.172235      4.686294
  C      -7.083676      7.656311      5.663575
  C      -5.930226      6.961167      6.016701
  O      -5.024819      7.477688      6.899538
  C      -5.671758      5.689400      5.427049
  C      -4.561551      4.824893      5.800179
  O      -4.452727      3.699788      5.221553
  C      -3.526237      5.112475      6.838923
  C      -6.549455      5.215162      4.437250
  C      -7.668560      5.938642      4.036243
  O      -8.450566      5.452171      3.061654
  C     -12.276393      4.329902      4.633515
  C     -11.250404      4.993710      5.522701
  O     -11.391390      6.171821      5.839972
  C     -10.045970      4.233986      6.001945
  C      -9.278915      4.893967      6.971135
  C      -8.100793      4.359503      7.481928
  O      -7.425996      5.042266      8.426186
  C      -7.623212      3.119191      6.966697
  C      -6.319846      2.624105      7.422775
  O      -5.694645      3.231093      8.316861
  C      -5.696831      1.380903      6.781675
  C      -8.400656      2.445149      6.011209
  C      -9.610678      2.956909      5.544175
  O     -10.264967      2.151608      4.657107
  H      -2.598235     -2.372049     -2.710659
  H      -3.916618     -1.997947     -3.872804
  H      -4.248170     -2.818423     -2.298717
  H      -4.532176      1.462581     -0.926667
  H      -4.526995      2.201816      2.569461
  H      -3.700789     -0.458799      5.358670
  H      -2.403438     -1.203818      4.366614
  H      -2.843092     -1.925945      2.293471
  H      -2.524727     -3.231784      0.516684
  H      -9.880742      8.855108      6.085364
  H      -8.816717      9.876096      5.089548
  H     -10.502941      9.554024      4.563643
  H      -7.288551      8.610901      6.152394
  H      -5.379300      8.305699      7.273797
  H      -2.853098      5.891391      6.411345
  H      -3.973427      5.609503      7.718865
  H      -6.350599      4.253852      3.965496
  H      -9.173514      6.159480      2.944226
  H     -11.863475      4.197136      3.615796
  H     -12.600098      3.353453      5.028038
  H     -13.147865      4.988289      4.544136
  H      -9.624967      5.865613      7.324340
  H      -6.618308      4.472228      8.623874
  H      -5.974036      1.364502      5.718199
  H      -6.185829      0.502432      7.251712
  H      -8.078738      1.486310      5.606102
  H     -11.097488      2.555482      4.355801
  N      -1.864183      3.474015      4.628868
  N      -1.546640      4.623591      4.166759
  H      -1.204899      4.717788      3.205057
  H      -1.745454      5.496296      4.670642
96
Coordinates from ORCA-job orca E -6715.745758642734
  N      -1.949977      0.812143      5.114410
  Mo     -2.893626      2.430159      5.817687
  N      -4.219697      1.282171      6.861465
  C      -3.687507      0.828201      8.143160
  C      -2.206748      0.510685      7.980630
  N      -1.489460      1.700613      7.394850
  C      -0.227570      1.297585      6.707927
  C      -0.585174      0.488505      5.449757
  C      -1.200911      2.714109      8.463563
  C      -1.595789      4.085960      7.951834
  N      -2.852778      3.893190      7.271787
  H       0.122184      0.747328      4.639416
  H      -0.469119     -0.594646      5.636177
  H       0.307225      2.219501      6.448445
  H       0.400421      0.716992      7.404430
  H      -1.708433      4.770595      8.812819
  H      -0.815323      4.519955      7.290033
  H      -1.813195      2.465020      9.338497
  H      -0.142214      2.653245      8.754437
  H      -4.216995     -0.069454      8.514543
  H      -3.824919      1.617655      8.906147
  H      -2.078123     -0.321673      7.281683
  H      -1.739206      0.240110      8.940134
  C      -3.897036     -2.089163     -2.767985
  C      -4.048301     -0.722292     -2.159981
  O      -4.337506      0.245074     -2.854829
  C      -3.869967     -0.513246     -0.667595
  C      -4.282468      0.727135     -0.181705
  C      -4.208894      1.051890      1.174268
  O      -4.636749      2.252003      1.592702
  C      -3.658481      0.107118      2.090997
  C      -3.561785      0.506872      3.472487
  O      -4.048423      1.599376      3.865042
  C      -2.827258     -0.210016      4.589193
  C      -3.231209     -1.146605      1.596081
  C      -3.336463     -1.467661      0.247271
  O      -2.925186     -2.678839     -0.229393
  C      -9.598351      9.143772      5.027963
  C      -9.163307      7.916497      4.283617
  O      -9.857193      7.488179      3.339006
  C      -7.945372      7.188927      4.682234
  C      -7.081673      7.660332      5.685349
  C      -5.936346      6.960577      6.055308
  O      -5.048924      7.468803      6.961114
  C      -5.665575      5.695132      5.457423
  C      -4.558749      4.830107      5.839763
  O      -4.432602      3.713556      5.248894
  C      -3.542992      5.111915      6.899696
  C      -6.521997      5.232571      4.443789
  C      -7.630462      5.962578      4.025081
  O      -8.388722      5.490944      3.024894
  C     -12.189971      4.287840      4.471053
  C     -11.198218      4.939342      5.406911
  O     -11.347501      6.115367      5.728445
  C     -10.011844      4.173671      5.919614
  C      -9.268675      4.830636      6.909521
  C      -8.101083      4.296781      7.444208
  O      -7.451146      4.974829      8.409119
  C      -7.605516      3.063586      6.929392
  C      -6.307035      2.574803      7.405737
  O      -5.706960      3.174322      8.321544
  C      -5.659847      1.346047      6.761209
  C      -8.361481      2.390238      5.956482
  C      -9.566064      2.897086      5.470191
  O     -10.202432      2.087632      4.573927
  H      -2.843855     -2.406585     -2.727126
  H      -4.230986     -2.048169     -3.810349
  H      -4.465568     -2.842748     -2.205367
  H      -4.686204      1.452763     -0.888770
  H      -4.522496      2.229747      2.596371
  H      -3.607229     -0.440078      5.343465
  H      -2.298056     -1.138791      4.333619
  H      -2.827964     -1.889480      2.287527
  H      -2.582866     -3.213629      0.508878
  H      -9.870386      8.865296      6.058162
  H      -8.797841      9.895708      5.082456
  H     -10.475903      9.572285      4.532811
  H      -7.296165      8.609986      6.179695
  H      -5.410960      8.293517      7.335335
  H      -2.870052      5.902669      6.494118
  H      -4.007467      5.594467      7.778728
  H      -6.312158      4.277431      3.964259
  H      -9.103986      6.204268      2.895612
  H     -11.732486      4.151066      3.473209
  H     -12.542325      3.314839      4.850001
  H     -13.050013      4.954979      4.344077
  H      -9.623641      5.801123      7.256941
  H      -6.644498      4.408614      8.620203
  H      -5.927072      1.332483      5.695385
  H      -6.139418      0.457311      7.221629
  H      -8.027979      1.434083      5.554532
  H     -11.044001      2.474944      4.276156
  N      -1.835541      3.543835      4.690143
  N      -1.534520      4.713907      4.270352
  H      -1.178370      4.845381      3.318382
  H      -1.756349      5.566507      4.798386
96
Coordinates from ORCA-job orca E -6715.746354030207
  N      -1.886358      0.870700      5.111447
  Mo     -2.862007      2.455294      5.839531
  N      -4.182206      1.269664      6.852169
  C      -3.656000      0.805758      8.132724
  C      -2.170186      0.510725      7.978374
  N      -1.465117      1.720315      7.419042
  C      -0.190901      1.346712      6.738885
  C      -0.526341      0.546586      5.470267
  C      -1.201872      2.719342      8.508107
  C      -1.616372      4.093913      8.019863
  N      -2.862358      3.894234      7.321835
  H       0.194206      0.811178      4.673807
  H      -0.411020     -0.537578      5.651381
  H       0.329976      2.280550      6.494011
  H       0.441508      0.769017      7.433849
  H      -1.750541      4.757850      8.894081
  H      -0.837158      4.556698      7.376367
  H      -1.815012      2.442796      9.374182
  H      -0.144344      2.671591      8.805668
  H      -4.177067     -0.103376      8.487699
  H      -3.811447      1.583305      8.904657
  H      -2.025445     -0.307048      7.265512
  H      -1.706232      0.228905      8.936314
  C      -4.148191     -2.120681     -2.712146
  C      -4.249950     -0.742665     -2.119158
  O      -4.556900      0.218728     -2.814647
  C      -3.999935     -0.514564     -0.640034
  C      -4.390196      0.731623     -0.150773
  C      -4.253609      1.072090      1.196411
  O      -4.660167      2.277226      1.621267
  C      -3.660357      0.137772      2.097234
  C      -3.508347      0.551757      3.468836
  O      -3.981291      1.645261      3.871077
  C      -2.744366     -0.159621      4.568505
  C      -3.253108     -1.121005      1.597963
  C      -3.421657     -1.457560      0.259325
  O      -3.030877     -2.672878     -0.223771
  C      -9.578391      9.159329      5.008330
  C      -9.129275      7.939434      4.259927
  O      -9.800860      7.525554      3.293086
  C      -7.923858      7.203357      4.679540
  C      -7.082897      7.661497      5.707776
  C      -5.945653      6.957161      6.093386
  O      -5.077862      7.455460      7.023676
  C      -5.661258      5.699371      5.485538
  C      -4.557321      4.834268      5.876507
  O      -4.412520      3.727042      5.272965
  C      -3.563090      5.109647      6.958632
  C      -6.496152      5.248958      4.448734
  C      -7.594940      5.984894      4.014557
  O      -8.330622      5.527864      2.991085
  C     -12.099586      4.246341      4.310411
  C     -11.143402      4.886252      5.290126
  O     -11.302725      6.059648      5.616634
  C      -9.976193      4.114768      5.836680
  C      -9.258682      4.767852      6.848065
  C      -8.102237      4.234279      7.406651
  O      -7.479773      4.905641      8.394037
  C      -7.587218      3.009453      6.891127
  C      -6.294055      2.526757      7.387975
  O      -5.718689      3.118907      8.324023
  C      -5.622588      1.313114      6.740354
  C      -8.320327      2.337576      5.899964
  C      -9.519239      2.839427      5.394650
  O     -10.136122      2.027711      4.486973
  H      -3.096090     -2.444041     -2.734790
  H      -4.547193     -2.093683     -3.731887
  H      -4.683257     -2.861622     -2.102162
  H      -4.826585      1.448903     -0.846859
  H      -4.499002      2.265488      2.618968
  H      -3.517155     -0.418937      5.321671
  H      -2.195162     -1.072376      4.297787
  H      -2.817812     -1.854892      2.279668
  H      -2.651598     -3.199073      0.502444
  H      -9.859209      8.875034      6.034487
  H      -8.781243      9.914076      5.075345
  H     -10.451873      9.587838      4.506050
  H      -7.307838      8.605302      6.208761
  H      -5.448579      8.275758      7.399069
  H      -2.893878      5.915993      6.578528
  H      -4.047129      5.573155      7.837423
  H      -6.274949      4.300418      3.961196
  H      -9.039735      6.246164      2.852926
  H     -11.597251      4.097117      3.336314
  H     -12.485648      3.280821      4.676720
  H     -12.943112      4.925149      4.141553
  H      -9.623411      5.736433      7.190624
  H      -6.675495      4.342119      8.620009
  H      -5.880830      1.301346      5.672586
  H      -6.091451      0.414481      7.192595
  H      -7.974418      1.384792      5.500441
  H     -10.987145      2.397923      4.194037
  N      -1.806658      3.610398      4.747990
  N      -1.522078      4.798282      4.369973
  H      -1.152465      4.966076      3.428836
  H      -1.768030      5.630777      4.919116
96
Coordinates from ORCA-job orca E -6715.747024229467
  N      -1.833140      0.920067      5.106037
  Mo     -2.831372      2.477445      5.855416
  N      -4.149984      1.263122      6.840281
  C      -3.631073      0.791614      8.120750
  C      -2.141938      0.511738      7.975420
  N      -1.444510      1.735309      7.437923
  C      -0.161106      1.382997      6.764513
  C      -0.479696      0.589358      5.489013
  C      -1.201074      2.721831      8.543528
  C      -1.631923      4.098529      8.075836
  N      -2.868275      3.893852      7.362505
  H       0.254598      0.853287      4.705177
  H      -0.370700     -0.495763      5.668293
  H       0.349266      2.325303      6.530002
  H       0.474327      0.808021      7.459012
  H      -1.783382      4.744077      8.961130
  H      -0.854090      4.585057      7.448321
  H      -1.814010      2.422551      9.402153
  H      -0.144581      2.684270      8.846185
  H      -4.147365     -0.125138      8.462824
  H      -3.800432      1.560634      8.898586
  H      -1.985282     -0.294781      7.252215
  H      -1.682247      0.220362      8.932496
  C      -4.354559     -2.146809     -2.650991
  C      -4.427831     -0.760634     -2.072997
  O      -4.762326      0.192171     -2.767622
  C      -4.115653     -0.513984     -0.608991
  C      -4.502880      0.730962     -0.114263
  C      -4.313130      1.085285      1.222902
  O      -4.717829      2.288325      1.655505
  C      -3.667816      0.166968      2.104500
  C      -3.469088      0.592146      3.466450
  O      -3.939698      1.680197      3.881478
  C      -2.674345     -0.115471      4.546090
  C      -3.261918     -1.089578      1.598583
  C      -3.483701     -1.440052      0.271322
  O      -3.094746     -2.652503     -0.220367
  C      -9.557300      9.173165      4.997808
  C      -9.097046      7.961074      4.243239
  O      -9.751481      7.560601      3.259257
  C      -7.901878      7.216989      4.677713
  C      -7.081059      7.661896      5.727694
  C      -5.950920      6.953146      6.125438
  O      -5.101583      7.440603      7.078392
  C      -5.653597      5.703684      5.506597
  C      -4.552286      4.838160      5.904701
  O      -4.389487      3.740631      5.288367
  C      -3.580754      5.105210      7.009543
  C      -6.468906      5.265796      4.448973
  C      -7.559732      6.007140      4.003316
  O      -8.274415      5.565002      2.958746
  C     -12.030654      4.203591      4.180162
  C     -11.101378      4.838235      5.188719
  O     -11.270138      6.009768      5.517384
  C      -9.947525      4.064867      5.760192
  C      -9.251262      4.715845      6.787870
  C      -8.102648      4.184324      7.364265
  O      -7.502057      4.851585      8.367865
  C      -7.570692      2.967003      6.848368
  C      -6.282487      2.489874      7.363265
  O      -5.731038      3.073832      8.318458
  C      -5.589957      1.288519      6.716016
  C      -8.284442      2.295651      5.842903
  C      -9.479658      2.791776      5.323242
  O     -10.079486      1.978181      4.405959
  H      -3.303140     -2.462474     -2.735879
  H      -4.815331     -2.136653     -3.644718
  H      -4.844202     -2.883166     -1.999021
  H      -4.979344      1.435611     -0.796819
  H      -4.515845      2.286463      2.646180
  H      -3.437954     -0.406147      5.298207
  H      -2.106042     -1.010457      4.256085
  H      -2.786493     -1.810141      2.267694
  H      -2.675299     -3.167187      0.491831
  H      -9.840039      8.883300      6.021805
  H      -8.764155      9.931716      5.071815
  H     -10.430389      9.600267      4.493683
  H      -7.315822      8.599280      6.236274
  H      -5.480579      8.255902      7.456416
  H      -2.916917      5.928589      6.657832
  H      -4.086571      5.546834      7.887498
  H      -6.236984      4.324369      3.952605
  H      -8.976983      6.288783      2.812946
  H     -11.495033      4.033606      3.227675
  H     -12.447189      3.249077      4.543353
  H     -12.856939      4.893201      3.974199
  H      -9.625087      5.682242      7.126703
  H      -6.697080      4.293050      8.602877
  H      -5.839106      1.275470      5.646399
  H      -6.049718      0.382435      7.162935
  H      -7.927571      1.346069      5.445361
  H     -10.939919      2.331465      4.119472
  N      -1.774953      3.664152      4.798259
  N      -1.501180      4.866006      4.458657
  H      -1.113071      5.064561      3.531145
  H      -1.766752      5.680258      5.025551
96
Coordinates from ORCA-job orca E -6715.747743507663
  N      -1.775270      0.972815      5.100615
  Mo     -2.800151      2.499943      5.870180
  N      -4.114412      1.254959      6.828148
  C      -3.602636      0.779262      8.109697
  C      -2.110365      0.514889      7.972957
  N      -1.421657      1.752181      7.455884
  C      -0.128828      1.421724      6.789975
  C      -0.429725      0.633510      5.508837
  C      -1.197217      2.726628      8.576692
  C      -1.645657      4.103995      8.128094
  N      -2.873444      3.893256      7.401836
  H       0.319475      0.894159      4.738376
  H      -0.329262     -0.452548      5.687615
  H       0.370023      2.372459      6.564466
  H       0.510301      0.850983      7.484611
  H      -1.813092      4.731856      9.023356
  H      -0.870816      4.613367      7.515151
  H      -1.808268      2.405493      9.428695
  H      -0.141496      2.700000      8.883270
  H      -4.113501     -0.144484      8.441019
  H      -3.786099      1.540971      8.891664
  H      -1.942267     -0.280872      7.240266
  H      -1.653885      0.214799      8.928818
  C      -4.591476     -2.172463     -2.570983
  C      -4.615773     -0.775866     -2.014185
  O      -4.963969      0.171270     -2.709805
  C      -4.237550     -0.511099     -0.569163
  C      -4.605636      0.738529     -0.071822
  C      -4.356248      1.107886      1.251467
  O      -4.741400      2.315577      1.688826
  C      -3.670382      0.199660      2.113121
  C      -3.419505      0.637259      3.461927
  O      -3.870344      1.729485      3.885156
  C      -2.599647     -0.067080      4.523320
  C      -3.282360     -1.061018      1.603235
  C      -3.562591     -1.425669      0.290888
  O      -3.190473     -2.640683     -0.207391
  C      -9.541750      9.184851      4.996081
  C      -9.069370      7.980961      4.235505
  O      -9.704782      7.594785      3.233603
  C      -7.884586      7.229118      4.684135
  C      -7.082750      7.661252      5.753853
  C      -5.958917      6.948537      6.162026
  O      -5.127849      7.425107      7.136646
  C      -5.648522      5.707868      5.531889
  C      -4.548808      4.842110      5.935092
  O      -4.367818      3.755528      5.305503
  C      -3.599467      5.099905      7.060985
  C      -6.445804      5.281912      4.455828
  C      -7.530230      6.027563      4.001123
  O      -8.227561      5.598192      2.939706
  C     -11.944216      4.158523      4.024865
  C     -11.050670      4.785678      5.069848
  O     -11.234011      5.953306      5.404586
  C      -9.911589      4.010935      5.668189
  C      -9.243100      4.657001      6.717322
  C      -8.104556      4.126979      7.314725
  O      -7.532120      4.786392      8.339601
  C      -7.551293      2.919861      6.797262
  C      -6.269719      2.448892      7.334154
  O      -5.744226      3.026323      8.307713
  C      -5.553636      1.260226      6.690065
  C      -8.239883      2.251303      5.772608
  C      -9.429082      2.742237      5.234437
  O     -10.006874      1.929444      4.302569
  H      -3.549581     -2.496165     -2.720846
  H      -5.115208     -2.174706     -3.533149
  H      -5.040938     -2.895339     -1.876638
  H      -5.113455      1.434923     -0.740121
  H      -4.493214      2.325323      2.669130
  H      -3.356587     -0.385066      5.272397
  H      -2.014767     -0.946002      4.217612
  H      -2.775269     -1.772401      2.258874
  H      -2.736368     -3.147130      0.489275
  H      -9.824983      8.890017      6.018450
  H      -8.753532      9.948312      5.075771
  H     -10.415371      9.609160      4.490518
  H      -7.327168      8.592135      6.269906
  H      -5.515503      8.234913      7.517753
  H      -2.943361      5.941063      6.738068
  H      -4.126095      5.517661      7.938481
  H      -6.203972      4.347081      3.951646
  H      -8.927022      6.324748      2.790414
  H     -11.371055      3.972638      3.097699
  H     -12.390615      3.212905      4.377105
  H     -12.751996      4.857544      3.780913
  H      -9.629314      5.619172      7.054275
  H      -6.728341      4.231428      8.586266
  H      -5.792926      1.243805      5.618492
  H      -6.003167      0.347151      7.133258
  H      -7.868821      1.306812      5.375758
  H     -10.876283      2.264712      4.021299
  N      -1.745790      3.720875      4.846824
  N      -1.486872      4.936999      4.550704
  H      -1.083443      5.171192      3.638034
  H      -1.773245      5.729715      5.137794
96
Coordinates from ORCA-job orca E -6715.748552843944
  N      -1.727956      1.024372      5.086451
  Mo     -2.773289      2.523452      5.878837
  N      -4.083522      1.251164      6.811661
  C      -3.577478      0.770292      8.093136
  C      -2.083055      0.517976      7.962670
  N      -1.401842      1.766922      7.464409
  C      -0.102300      1.455913      6.802977
  C      -0.390346      0.673864      5.517194
  C      -1.192336      2.728542      8.599846
  C      -1.657585      4.106809      8.171924
  N      -2.878177      3.891754      7.434970
  H       0.372040      0.929529      4.758306
  H      -0.300310     -0.413196      5.695392
  H       0.386015      2.413901      6.584886
  H       0.541360      0.888315      7.496005
  H      -1.837922      4.716547      9.077268
  H      -0.886456      4.637697      7.572610
  H      -1.800074      2.386500      9.445987
  H      -0.136967      2.711116      8.908263
  H      -4.084275     -0.159037      8.414891
  H      -3.771321      1.525571      8.878979
  H      -1.906693     -0.267876      7.221024
  H      -1.628696      0.208930      8.916626
  C      -4.779104     -2.217235     -2.485986
  C      -4.784765     -0.811562     -1.951826
  O      -5.163924      0.123219     -2.647977
  C      -4.349285     -0.522886     -0.528036
  C      -4.723824      0.723049     -0.026210
  C      -4.423461      1.111011      1.281184
  O      -4.812964      2.315357      1.724246
  C      -3.680877      0.225470      2.119242
  C      -3.387961      0.676647      3.454811
  O      -3.838768      1.763599      3.888517
  C      -2.535976     -0.020288      4.494460
  C      -3.285772     -1.030550      1.603617
  C      -3.614715     -1.413166      0.307872
  O      -3.234131     -2.622119     -0.198889
  C      -9.524746      9.205396      5.009118
  C      -9.043242      8.010607      4.239461
  O      -9.660854      7.642491      3.219934
  C      -7.869337      7.248228      4.698548
  C      -7.086318      7.663150      5.788655
  C      -5.969940      6.943826      6.204997
  O      -5.157432      7.404684      7.202688
  C      -5.647212      5.714052      5.559936
  C      -4.549110      4.846853      5.965367
  O      -4.349698      3.773211      5.319673
  C      -3.621798      5.092275      7.112002
  C      -6.426350      5.304499      4.464345
  C      -7.503746      6.056902      4.003336
  O      -8.183600      5.644338      2.924130
  C     -11.858387      4.128904      3.879102
  C     -11.002185      4.744823      4.961562
  O     -11.202754      5.906134      5.308001
  C      -9.877786      3.967158      5.583303
  C      -9.236925      4.605176      6.654529
  C      -8.107929      4.075351      7.270132
  O      -7.562505      4.725171      8.315597
  C      -7.534139      2.879284      6.748750
  C      -6.259281      2.412113      7.304798
  O      -5.756322      2.982168      8.294468
  C      -5.521711      1.236873      6.661603
  C      -8.198154      2.216527      5.704333
  C      -9.380617      2.704479      5.149078
  O      -9.935926      1.896128      4.199955
  H      -3.744407     -2.528759     -2.699361
  H      -5.362253     -2.241345     -3.413122
  H      -5.172116     -2.935299     -1.753732
  H      -5.275594      1.401802     -0.677586
  H      -4.518199      2.342136      2.691384
  H      -3.280640     -0.371201      5.242444
  H      -1.932671     -0.879099      4.167889
  H      -2.733915     -1.723262      2.242884
  H      -2.736721     -3.111717      0.480032
  H      -9.806935      8.904293      6.029886
  H      -8.740250      9.972414      5.094195
  H     -10.399222      9.629032      4.504501
  H      -7.339601      8.585959      6.314891
  H      -5.553006      8.207932      7.589560
  H      -2.977173      5.953977      6.822170
  H      -4.170604      5.479761      7.990006
  H      -6.175175      4.378016      3.949327
  H      -8.879013      6.374755      2.773225
  H     -11.250052      3.933049      2.977008
  H     -12.331185      3.189709      4.214815
  H     -12.647920      4.836751      3.603169
  H      -9.635387      5.562074      6.992171
  H      -6.759247      4.173521      8.571237
  H      -5.752727      1.217562      5.588525
  H      -5.960445      0.316829      7.101335
  H      -7.813368      1.278313      5.305619
  H     -10.812758      2.215084      3.922870
  N      -1.720796      3.774962      4.888546
  N      -1.472886      5.002519      4.634254
  H      -1.054737      5.268856      3.737194
  H      -1.779337      5.774365      5.238612
96
Coordinates from ORCA-job orca E -6715.749332148100
  N      -1.676668      1.072526      5.076732
  Mo     -2.746808      2.542174      5.887945
  N      -4.049604      1.240855      6.797659
  C      -3.548650      0.760572      8.080948
  C      -2.052196      0.521094      7.956414
  N      -1.379888      1.781214      7.474296
  C      -0.073287      1.490123      6.817901
  C      -0.347230      0.711851      5.528964
  C      -1.185576      2.732049      8.622104
  C      -1.669989      4.108912      8.212049
  N      -2.884276      3.887019      7.466578
  H       0.428055      0.961117      4.781307
  H      -0.267507     -0.375864      5.708297
  H       0.403227      2.455423      6.605624
  H       0.575563      0.927690      7.510317
  H      -1.862829      4.701940      9.126005
  H      -0.904179      4.660720      7.624831
  H      -1.788278      2.370302      9.463553
  H      -0.130324      2.725959      8.931333
  H      -4.050409     -0.173336      8.397234
  H      -3.752750      1.512406      8.867564
  H      -1.867597     -0.255842      7.207177
  H      -1.598823      0.205182      8.908543
  C      -4.986056     -2.235532     -2.386495
  C      -4.966700     -0.822686     -1.871736
  O      -5.374102      0.103619     -2.563185
  C      -4.471158     -0.516688     -0.471677
  C      -4.845533      0.724959      0.040696
  C      -4.490469      1.126072      1.330425
  O      -4.880802      2.325695      1.785660
  C      -3.693676      0.258144      2.136783
  C      -3.352170      0.717760      3.457429
  O      -3.790332      1.804170      3.904419
  C      -2.468962      0.024026      4.470590
  C      -3.299156     -0.993189      1.609386
  C      -3.680580     -1.388170      0.331976
  O      -3.298928     -2.590590     -0.189452
  C      -9.509006      9.218164      5.011299
  C      -9.018989      8.030232      4.235986
  O      -9.620400      7.676397      3.201934
  C      -7.855306      7.258985      4.705897
  C      -7.090516      7.659558      5.814041
  C      -5.981388      6.934644      6.239537
  O      -5.186746      7.382547      7.257469
  C      -5.646821      5.714003      5.583307
  C      -4.550206      4.846062      5.992267
  O      -4.333573      3.784069      5.333500
  C      -3.643081      5.081233      7.156653
  C      -6.408284      5.318153      4.470446
  C      -7.478774      6.076142      4.001898
  O      -8.141387      5.677637      2.906870
  C     -11.761990      4.096468      3.724502
  C     -10.945060      4.700328      4.843622
  O     -11.162149      5.855631      5.199850
  C      -9.836660      3.919084      5.489291
  C      -9.224212      4.549216      6.581696
  C      -8.105665      4.019336      7.216187
  O      -7.585424      4.661287      8.279140
  C      -7.512602      2.832897      6.694052
  C      -6.246009      2.369515      7.271793
  O      -5.769445      2.931640      8.278948
  C      -5.486271      1.205478      6.634806
  C      -8.150956      2.175926      5.630137
  C      -9.324822      2.662165      5.055616
  O      -9.855617      1.859694      4.087706
  H      -3.965063     -2.539731     -2.666899
  H      -5.628739     -2.275841     -3.272924
  H      -5.321399     -2.948442     -1.621568
  H      -5.439566      1.389890     -0.587347
  H      -4.540598      2.364781      2.737230
  H      -3.199427     -0.359536      5.218020
  H      -1.850215     -0.814473      4.120945
  H      -2.704715     -1.671244      2.225767
  H      -2.759290     -3.067209      0.466081
  H      -9.786941      8.914560      6.032438
  H      -8.728906      9.989990      5.096577
  H     -10.386135      9.638174      4.508262
  H      -7.352300      8.575722      6.347757
  H      -5.589627      8.180631      7.647548
  H      -3.009182      5.959878      6.895320
  H      -4.211196      5.443139      8.033527
  H      -6.148060      4.398643      3.947383
  H      -8.832480      6.411758      2.752492
  H     -11.119579      3.890232      2.849070
  H     -12.261066      3.164187      4.041984
  H     -12.531328      4.813611      3.417367
  H      -9.634091      5.501690      6.918207
  H      -6.781589      4.113989      8.542130
  H      -5.707999      1.179649      5.560161
  H      -5.914294      0.280106      7.074048
  H      -7.752693      1.243587      5.230883
  H     -10.737807      2.163860      3.811050
  N      -1.699094      3.824217      4.930560
  N      -1.466720      5.063235      4.721721
  H      -1.038487      5.365494      3.840949
  H      -1.794468      5.810681      5.345307
96
Coordinates from ORCA-job orca E -6715.750269984904
  N      -1.634903      1.123465      5.057320
  Mo     -2.726025      2.564034      5.891086
  N      -4.020177      1.235809      6.780411
  C      -3.521871      0.753211      8.063468
  C      -2.023515      0.526196      7.942047
  N      -1.360748      1.796823      7.474758
  C      -0.049277      1.525077      6.820301
  C      -0.313273      0.751089      5.529013
  C      -1.178301      2.735793      8.634966
  C      -1.680864      4.111576      8.244268
  N      -2.889720      3.884499      7.491735
  H       0.473125      0.993103      4.790970
  H      -0.244963     -0.337269      5.709085
  H       0.415121      2.497267      6.612311
  H       0.606379      0.967583      7.510274
  H      -1.883912      4.687463      9.166974
  H      -0.920686      4.683343      7.668910
  H      -1.775131      2.354929      9.472056
  H      -0.122853      2.739416      8.943510
  H      -4.018258     -0.185704      8.373173
  H      -3.734536      1.500070      8.852527
  H      -1.832503     -0.242084      7.185335
  H      -1.569245      0.203551      8.891417
  C      -5.158594     -2.288769     -2.281778
  C      -5.127931     -0.866908     -1.792619
  O      -5.569835      0.044881     -2.482085
  C      -4.579035     -0.534736     -0.419183
  C      -4.965047      0.700120      0.101001
  C      -4.561491      1.121743      1.369872
  O      -4.961213      2.315164      1.833795
  C      -3.706720      0.281188      2.144910
  C      -3.327017      0.753985      3.450068
  O      -3.764822      1.835981      3.906899
  C      -2.410573      0.070046      4.437766
  C      -3.299855     -0.962109      1.608170
  C      -3.726554     -1.376580      0.351599
  O      -3.331511     -2.569216     -0.182459
  C      -9.496685      9.241075      5.035384
  C      -9.000358      8.061350      4.250938
  O      -9.584392      7.727508      3.200529
  C      -7.848029      7.278004      4.728185
  C      -7.102074      7.658147      5.855990
  C      -6.000986      6.924950      6.287310
  O      -5.225836      7.353178      7.328533
  C      -5.653740      5.717460      5.613736
  C      -4.558249      4.847608      6.022243
  O      -4.323950      3.799886      5.347003
  C      -3.670870      5.069133      7.203924
  C      -6.397112      5.341121      4.482076
  C      -7.461042      6.106773      4.010406
  O      -8.107759      5.726547      2.899460
  C     -11.649958      4.090109      3.566582
  C     -10.885276      4.671130      4.733651
  O     -11.126502      5.815035      5.109994
  C      -9.795158      3.882927      5.401746
  C      -9.216357      4.497402      6.521142
  C      -8.110509      3.963614      7.174687
  O      -7.621858      4.589523      8.261861
  C      -7.495037      2.790988      6.646160
  C      -6.237248      2.328642      7.243753
  O      -5.784871      2.880111      8.267963
  C      -5.455381      1.179306      6.607598
  C      -8.103714      2.146814      5.557211
  C      -9.266275      2.635315      4.962445
  O      -9.768937      1.845917      3.969118
  H      -4.153375     -2.578800     -2.627251
  H      -5.857001     -2.353747     -3.123562
  H      -5.428512     -2.995686     -1.486418
  H      -5.604759      1.343751     -0.503896
  H      -4.574503      2.374833      2.766022
  H      -3.124129     -0.348915      5.183874
  H      -1.775206     -0.745527      4.064296
  H      -2.658555     -1.617471      2.201590
  H      -2.746982     -3.024852      0.449091
  H      -9.769354      8.933709      6.056736
  H      -8.719917     10.016537      5.121161
  H     -10.376466      9.659599      4.535785
  H      -7.372519      8.564795      6.401512
  H      -5.636277      8.143882      7.725702
  H      -3.053893      5.969088      6.977141
  H      -4.259273      5.395952      8.081608
  H      -6.127998      4.431156      3.946931
  H      -8.796708      6.463089      2.746940
  H     -10.967832      3.886676      2.721527
  H     -12.172184      3.159079      3.849434
  H     -12.398720      4.817095      3.232978
  H      -9.639830      5.442519      6.861533
  H      -6.820168      4.043298      8.534005
  H      -5.670198      1.149735      5.531972
  H      -5.870655      0.247211      7.044885
  H      -7.690175      1.223403      5.152848
  H     -10.654565      2.138100      3.690681
  N      -1.684975      3.875296      4.962993
  N      -1.465529      5.122378      4.794666
  H      -1.027403      5.455642      3.930062
  H      -1.810901      5.847971      5.434342
96
Coordinates from ORCA-job orca E -6715.751218980729
  N      -1.591531      1.166925      5.043906
  Mo     -2.704488      2.581096      5.894169
  N      -3.990332      1.228338      6.765283
  C      -3.495836      0.746827      8.049812
  C      -1.995776      0.531240      7.933001
  N      -1.341533      1.810643      7.477971
  C      -0.024928      1.555840      6.826994
  C      -0.278304      0.783254      5.534893
  C      -1.171086      2.740139      8.648248
  C      -1.690743      4.113588      8.272791
  N      -2.894035      3.880530      7.513327
  H       0.519252      1.016084      4.806209
  H      -0.222104     -0.305339      5.717780
  H       0.427825      2.534074      6.621342
  H       0.636637      1.004653      7.516364
  H      -1.903931      4.674811      9.202271
  H      -0.935716      4.702893      7.708467
  H      -1.762675      2.342903      9.481358
  H      -0.115754      2.753609      8.956838
  H      -3.987291     -0.196045      8.355133
  H      -3.717169      1.490794      8.839171
  H      -1.798367     -0.230154      7.170868
  H      -1.541243      0.203995      8.880605
  C      -5.337672     -2.316677     -2.169296
  C      -5.293754     -0.888006     -1.700846
  O      -5.770530      0.012331     -2.381948
  C      -4.689671     -0.535596     -0.356441
  C      -5.085598      0.689153      0.179822
  C      -4.632908      1.125411      1.427063
  O      -5.043831      2.308343      1.908402
  C      -3.720346      0.309635      2.161582
  C      -3.299132      0.789562      3.450967
  O      -3.731121      1.867957      3.922033
  C      -2.351449      0.110708      4.409388
  C      -3.303433     -0.922530      1.607046
  C      -3.776275     -1.350447      0.371855
  O      -3.369621     -2.529335     -0.183720
  C      -9.487984      9.252496      5.050317
  C      -8.983950      8.080745      4.258365
  O      -9.552093      7.763457      3.194295
  C      -7.840249      7.288841      4.741824
  C      -7.113456      7.650916      5.887780
  C      -6.019085      6.911620      6.325166
  O      -5.264145      7.322220      7.388140
  C      -5.657432      5.717161      5.636206
  C      -4.563101      4.846033      6.045845
  O      -4.312568      3.810937      5.357330
  C      -3.694960      5.055264      7.243306
  C      -6.381894      5.358484      4.486805
  C      -7.440405      6.129671      4.011521
  O      -8.069940      5.765965      2.885268
  C     -11.537744      4.080503      3.412367
  C     -10.824718      4.638933      4.622228
  O     -11.091495      5.770690      5.017201
  C      -9.752291      3.844660      5.311679
  C      -9.203870      4.447287      6.452585
  C      -8.109937      3.911146      7.124257
  O      -7.648425      4.526181      8.229320
  C      -7.475302      2.748944      6.594557
  C      -6.226913      2.288029      7.212589
  O      -5.799358      2.830307      8.252421
  C      -5.423516      1.151172      6.581238
  C      -8.056770      2.114311      5.485162
  C      -9.208182      2.604347      4.870698
  O      -9.685361      1.824799      3.857145
  H      -4.354683     -2.594188     -2.582749
  H      -6.090593     -2.401513     -2.960917
  H      -5.540066     -3.019254     -1.350707
  H      -5.771371      1.313157     -0.394348
  H      -4.613732      2.384063      2.819757
  H      -3.047076     -0.343506      5.153019
  H      -1.702458     -0.681392      4.009712
  H      -2.615446     -1.557117      2.169827
  H      -2.739875     -2.965984      0.417046
  H      -9.751754      8.943219      6.073331
  H      -8.716644     10.034090      5.132483
  H     -10.372900      9.665690      4.555393
  H      -7.394165      8.547926      6.443957
  H      -5.682950      8.105642      7.790946
  H      -3.094142      5.973497      7.048666
  H      -4.302430      5.350189      8.119748
  H      -6.102451      4.458090      3.940878
  H      -8.757172      6.504244      2.733210
  H     -10.819625      3.878799      2.597797
  H     -12.081349      3.151587      3.660566
  H     -12.265243      4.817668      3.054981
  H      -9.638516      5.387363      6.792921
  H      -6.847233      3.983023      8.509402
  H      -5.630492      1.115748      5.504567
  H      -5.827252      0.213995      7.018469
  H      -7.630296      1.197390      5.079614
  H     -10.573505      2.105914      3.575551
  N      -1.669524      3.917724      4.993613
  N      -1.463507      5.171427      4.864041
  H      -1.017479      5.534030      4.015435
  H      -1.829518      5.875549      5.516157
96
Coordinates from ORCA-job orca E -6715.752279361628
  N      -1.558014      1.205862      5.026921
  Mo     -2.686828      2.599265      5.892989
  N      -3.965752      1.227788      6.750750
  C      -3.473986      0.747079      8.036126
  C      -1.972721      0.539499      7.922187
  N      -1.324567      1.824883      7.475554
  C      -0.005269      1.581998      6.825385
  C      -0.253364      0.808628      5.534869
  C      -1.160733      2.746609      8.653446
  C      -1.694589      4.117993      8.291218
  N      -2.894487      3.880292      7.528048
  H       0.553814      1.028737      4.813132
  H      -0.211908     -0.279825      5.722501
  H       0.437530      2.564581      6.618473
  H       0.662495      1.037168      7.513766
  H      -1.914153      4.667348      9.226296
  H      -0.944432      4.720986      7.734993
  H      -1.746288      2.336682      9.484596
  H      -0.104843      2.767603      8.959554
  H      -3.961937     -0.198482      8.338429
  H      -3.701052      1.489152      8.825587
  H      -1.771701     -0.217334      7.156420
  H      -1.517427      0.208937      8.868211
  C      -5.481979     -2.368234     -2.057998
  C      -5.436878     -0.931776     -1.613371
  O      -5.950513     -0.047218     -2.288171
  C      -4.786178     -0.553520     -0.298847
  C      -5.198130      0.659267      0.252172
  C      -4.703057      1.114604      1.476345
  O      -5.130461      2.285526      1.973361
  C      -3.734302      0.329593      2.171224
  C      -3.278821      0.819682      3.444914
  O      -3.706401      1.896787      3.923951
  C      -2.304256      0.148055      4.378286
  C      -3.302145     -0.889970      1.600572
  C      -3.813945     -1.335269      0.387475
  O      -3.391571     -2.498915     -0.188272
  C      -9.489756      9.262009      5.089284
  C      -8.977423      8.101752      4.285282
  O      -9.531556      7.803083      3.208633
  C      -7.838943      7.302605      4.768887
  C      -7.128652      7.644936      5.930948
  C      -6.038535      6.900323      6.369337
  O      -5.303264      7.290133      7.453631
  C      -5.661616      5.722069      5.661101
  C      -4.567259      4.849318      6.067886
  O      -4.303415      3.826937      5.365848
  C      -3.715271      5.044622      7.278392
  C      -6.369946      5.382600      4.496058
  C      -7.426546      6.157852      4.022860
  O      -8.043285      5.810219      2.884409
  C     -11.417469      4.094021      3.258733
  C     -10.768407      4.618254      4.518665
  O     -11.068888      5.731811      4.939694
  C      -9.712915      3.816690      5.226064
  C      -9.199346      4.401842      6.391977
  C      -8.117557      3.862380      7.080813
  O      -7.688018      4.461166      8.207497
  C      -7.459634      2.715252      6.545818
  C      -6.221127      2.254944      7.183715
  O      -5.819867      2.784582      8.240615
  C      -5.396672      1.131412      6.555964
  C      -8.009060      2.095807      5.411617
  C      -9.148330      2.588527      4.777529
  O      -9.594850      1.824570      3.738399
  H      -4.523652     -2.628688     -2.535749
  H      -6.283522     -2.479636     -2.796954
  H      -5.612470     -3.064622     -1.220069
  H      -5.928775      1.259045     -0.291603
  H      -4.658396      2.383440      2.860766
  H      -2.983385     -0.338038      5.117935
  H      -1.643869     -0.622120      3.955051
  H      -2.568608     -1.499173      2.132803
  H      -2.718656     -2.912158      0.381446
  H      -9.739959      8.948319      6.114209
  H      -8.725945     10.051799      5.166446
  H     -10.382673      9.668206      4.603050
  H      -7.420121      8.529896      6.500689
  H      -5.731096      8.064045      7.865183
  H      -3.131861      5.980164      7.116320
  H      -4.340064      5.305607      8.153922
  H      -6.080683      4.493307      3.937261
  H      -8.732657      6.547342      2.737438
  H     -10.658856      3.900665      2.480325
  H     -11.982754      3.165987      3.457566
  H     -12.119752      4.845046      2.880477
  H      -9.648752      5.333394      6.736564
  H      -6.887555      3.920730      8.495513
  H      -5.596178      1.091370      5.478337
  H      -5.789326      0.189124      6.992274
  H      -7.566024      1.189207      5.000786
  H     -10.484444      2.095267      3.451623
  N      -1.656998      3.956106      5.014536
  N      -1.461849      5.214345      4.920128
  H      -1.006681      5.602836      4.087977
  H      -1.841043      5.898809      5.585692
96
Coordinates from ORCA-job orca E -6715.753366591594
  N      -1.524332      1.239542      5.012750
  Mo     -2.667313      2.615792      5.890999
  N      -3.941737      1.229115      6.736268
  C      -3.454215      0.747571      8.022651
  C      -1.951758      0.546665      7.913055
  N      -1.307729      1.836741      7.473998
  C       0.014493      1.603289      6.825569
  C      -0.228365      0.829070      5.536329
  C      -1.150664      2.751175      8.659165
  C      -1.694076      4.121444      8.307932
  N      -2.889489      3.881807      7.538841
  H       0.587868      1.036473      4.821269
  H      -0.201832     -0.259072      5.728580
  H       0.449121      2.589375      6.617673
  H       0.686773      1.063751      7.513668
  H      -1.920121      4.660647      9.247358
  H      -0.946068      4.735050      7.760671
  H      -1.733575      2.330738      9.486893
  H      -0.094983      2.776834      8.965607
  H      -3.939271     -0.201100      8.319594
  H      -3.687838      1.486093      8.813479
  H      -1.747186     -0.206676      7.144791
  H      -1.496740      0.213550      8.858275
  C      -5.625664     -2.407110     -1.939409
  C      -5.577262     -0.963414     -1.518335
  O      -6.126711     -0.093656     -2.183931
  C      -4.880924     -0.561563     -0.235259
  C      -5.303486      0.639677      0.332495
  C      -4.766819      1.111757      1.532669
  O      -5.205684      2.271336      2.046663
  C      -3.748384      0.354136      2.185778
  C      -3.259194      0.849964      3.444755
  O      -3.679291      1.926080      3.934480
  C      -2.259561      0.182243      4.350959
  C      -3.305798     -0.852825      1.596328
  C      -3.855909     -1.312919      0.405977
  O      -3.423723     -2.461911     -0.191591
  C      -9.499181      9.260133      5.129248
  C      -8.970500      8.117975      4.309776
  O      -9.505291      7.841447      3.217573
  C      -7.835759      7.313830      4.793499
  C      -7.146715      7.633270      5.974605
  C      -6.060170      6.884400      6.414293
  O      -5.348937      7.250472      7.522551
  C      -5.663094      5.726065      5.684541
  C      -4.568378      4.852269      6.088650
  O      -4.290655      3.842892      5.372996
  C      -3.732444      5.033236      7.311635
  C      -6.350409      5.409361      4.500748
  C      -7.404773      6.188497      4.028868
  O      -8.002698      5.861833      2.874192
  C     -11.307778      4.097422      3.111953
  C     -10.717860      4.592284      4.412117
  O     -11.056049      5.685874      4.856202
  C      -9.675241      3.787758      5.135876
  C      -9.191019      4.362704      6.319169
  C      -8.119073      3.823693      7.023904
  O      -7.716301      4.413984      8.164886
  C      -7.441648      2.686999      6.490094
  C      -6.213446      2.227899      7.148233
  O      -5.834392      2.751610      8.216484
  C      -5.369602      1.114410      6.528431
  C      -7.963504      2.076427      5.337965
  C      -9.092657      2.568597      4.686115
  O      -9.514431      1.812773      3.630588
  H      -4.697283     -2.654791     -2.479268
  H      -6.471977     -2.542996     -2.622398
  H      -5.685549     -3.095073     -1.086938
  H      -6.074379      1.217478     -0.178525
  H      -4.692646      2.391050      2.907336
  H      -2.922245     -0.332289      5.087036
  H      -1.591814     -0.567949      3.903852
  H      -2.531440     -1.439010      2.095383
  H      -2.712394     -2.854040      0.345474
  H      -9.739674      8.935335      6.152904
  H      -8.746505     10.060603      5.209469
  H     -10.399192      9.658313      4.649493
  H      -7.453127      8.502923      6.559875
  H      -5.789047      8.011927      7.944242
  H      -3.169371      5.986211      7.183779
  H      -4.374519      5.256716      8.185584
  H      -6.047080      4.534641      3.926753
  H      -8.694337      6.597744      2.732536
  H     -10.515395      3.909840      2.367172
  H     -11.889761      3.171161      3.266631
  H     -11.987249      4.860486      2.716535
  H      -9.653328      5.288058      6.663480
  H      -6.915955      3.877818      8.461766
  H      -5.560426      1.067736      5.449769
  H      -5.753106      0.168693      6.965401
  H      -7.506822      1.176727      4.927065
  H     -10.405454      2.073124      3.339099
  N      -1.639800      3.988902      5.032835
  N      -1.452470      5.249621      4.965413
  H      -0.986728      5.657082      4.148245
  H      -1.844534      5.919568      5.638505
96
Coordinates from ORCA-job orca E -6715.754531129954
  N      -1.498650      1.269237      4.997063
  Mo     -2.651225      2.633175      5.887622
  N      -3.920834      1.234964      6.724297
  C      -3.436792      0.756312      8.012414
  C      -1.933696      0.557779      7.905460
  N      -1.291195      1.849680      7.469273
  C       0.031481      1.620815      6.819321
  C      -0.211169      0.844287      5.533340
  C      -1.134406      2.759457      8.658332
  C      -1.687620      4.127945      8.316224
  N      -2.882558      3.884510      7.547654
  H       0.612408      1.036536      4.822657
  H      -0.201104     -0.243089      5.731545
  H       0.459350      2.609026      6.607290
  H       0.708841      1.086513      7.506431
  H      -1.915422      4.660252      9.259108
  H      -0.943624      4.749252      7.772333
  H      -1.711068      2.331769      9.486676
  H      -0.077429      2.789631      8.959653
  H      -3.920917     -0.192790      8.309047
  H      -3.673009      1.495617      8.801856
  H      -1.728388     -0.195223      7.137107
  H      -1.478948      0.223985      8.850530
  C      -5.752554     -2.466992     -1.817011
  C      -5.708562     -1.015619     -1.421656
  O      -6.294055     -0.163936     -2.079642
  C      -4.971034     -0.585339     -0.171976
  C      -5.408028      0.602630      0.412279
  C      -4.833769      1.095626      1.586423
  O      -5.288162      2.241999      2.117322
  C      -3.766024      0.371034      2.196751
  C      -3.246401      0.875926      3.439879
  O      -3.663068      1.951379      3.936464
  C      -2.223882      0.213756      4.321456
  C      -3.308846     -0.821090      1.588362
  C      -3.893108     -1.299778      0.422213
  O      -3.446666     -2.431426     -0.197698
  C      -9.520297      9.251756      5.191618
  C      -8.974986      8.131034      4.353403
  O      -9.494907      7.875838      3.249026
  C      -7.839201      7.324788      4.831370
  C      -7.166949      7.622542      6.027546
  C      -6.080773      6.871553      6.464205
  O      -5.391637      7.213004      7.593856
  C      -5.663923      5.734915      5.711929
  C      -4.567566      4.859980      6.109767
  O      -4.280234      3.863228      5.380963
  C      -3.743016      5.025707      7.341572
  C      -6.334638      5.439616      4.513343
  C      -7.390691      6.219847      4.047215
  O      -7.974680      5.910971      2.880327
  C     -11.184515      4.122344      2.959491
  C     -10.663929      4.578200      4.302791
  O     -11.051231      5.642804      4.775802
  C      -9.631396      3.771118      5.038878
  C      -9.187662      4.324558      6.247874
  C      -8.128332      3.782851      6.969878
  O      -7.762442      4.354213      8.132807
  C      -7.423836      2.664513      6.431574
  C      -6.209349      2.204025      7.113363
  O      -5.860212      2.714165      8.198521
  C      -5.344925      1.101638      6.502362
  C      -7.906443      2.074298      5.251840
  C      -9.020855      2.570226      4.578445
  O      -9.402821      1.837784      3.491710
  H      -4.856749     -2.700929     -2.415051
  H      -6.637662     -2.631258     -2.442323
  H      -5.740816     -3.143895     -0.954076
  H      -6.219335      1.153711     -0.064501
  H      -4.738137      2.387265      2.949640
  H      -2.869113     -0.330945      5.052190
  H      -1.548921     -0.514913      3.850115
  H      -2.492951     -1.379052      2.052042
  H      -2.698134     -2.797985      0.305863
  H      -9.744912      8.914348      6.214530
  H      -8.781742     10.065547      5.272135
  H     -10.430951      9.638510      4.722762
  H      -7.488280      8.475351      6.629301
  H      -5.844338      7.960365      8.027190
  H      -3.197155      5.992053      7.244762
  H      -4.399016      5.214810      8.213751
  H      -6.018589      4.579594      3.924409
  H      -8.672730      6.642029      2.746537
  H     -10.356336      3.948213      2.252208
  H     -11.778097      3.195699      3.059224
  H     -11.841712      4.898403      2.551950
  H      -9.670179      5.236994      6.598808
  H      -6.962572      3.821938      8.438751
  H      -5.525048      1.048554      5.422366
  H      -5.719868      0.152396      6.938994
  H      -7.428546      1.189074      4.833974
  H     -10.290977      2.092451      3.186927
  N      -1.627072      4.019786      5.044959
  N      -1.449021      5.282789      5.007804
  H      -0.978614      5.712098      4.204645
  H      -1.853899      5.935077      5.690925
96
Coordinates from ORCA-job orca E -6715.755790115276
  N      -1.467652      1.296041      4.985628
  Mo     -2.631407      2.648388      5.885395
  N      -3.896087      1.239875      6.715619
  C      -3.415724      0.763965      8.005740
  C      -1.911645      0.569244      7.902209
  N      -1.271159      1.862825      7.467397
  C       0.052675      1.638025      6.817001
  C      -0.188409      0.858649      5.534046
  C      -1.116392      2.769406      8.659766
  C      -1.677000      4.136359      8.324133
  N      -2.869923      3.889816      7.553816
  H       0.642029      1.036565      4.827802
  H      -0.193700     -0.227727      5.738271
  H       0.474262      2.628166      6.601130
  H       0.734104      1.108908      7.503998
  H      -1.907675      4.663498      9.269148
  H      -0.935154      4.763492      7.784268
  H      -1.689576      2.335826      9.487447
  H      -0.058905      2.803044      8.958877
  H      -3.897697     -0.186808      8.300229
  H      -3.656547      1.502190      8.794851
  H      -1.704716     -0.184271      7.134809
  H      -1.457000      0.236558      8.847699
  C      -5.904101     -2.491849     -1.684824
  C      -5.856405     -1.035297     -1.308422
  O      -6.472262     -0.195203     -1.953199
  C      -5.075659     -0.586669     -0.092544
  C      -5.514302      0.590173      0.512286
  C      -4.897770      1.097117      1.658793
  O      -5.355122      2.233201      2.209964
  C      -3.788568      0.395858      2.220612
  C      -3.231324      0.903737      3.445997
  O      -3.637142      1.979456      3.953933
  C      -2.184281      0.243726      4.296657
  C      -3.330491     -0.784300      1.589608
  C      -3.954315     -1.274711      0.449454
  O      -3.508289     -2.392293     -0.195863
  C      -9.549176      9.227256      5.241274
  C      -8.978001      8.133751      4.384450
  O      -9.473953      7.904400      3.263512
  C      -7.841143      7.327865      4.860215
  C      -7.193604      7.600328      6.075856
  C      -6.108081      6.848502      6.512571
  O      -5.447282      7.162452      7.666697
  C      -5.664744      5.737733      5.737321
  C      -4.566242      4.863620      6.131255
  O      -4.266180      3.880245      5.389338
  C      -3.754350      5.015223      7.372282
  C      -6.310590      5.467966      4.519252
  C      -7.366683      6.249269      4.055224
  O      -7.926978      5.964799      2.870461
  C     -11.053241      4.129537      2.799447
  C     -10.606381      4.548421      4.180783
  O     -11.046042      5.582452      4.675229
  C      -9.581429      3.744401      4.931431
  C      -9.178120      4.282726      6.160968
  C      -8.130963      3.742708      6.902209
  O      -7.800718      4.302664      8.081329
  C      -7.400725      2.638885      6.367439
  C      -6.201259      2.179176      7.075325
  O      -5.880387      2.682877      8.172477
  C      -5.315482      1.086085      6.478157
  C      -7.844482      2.062588      5.165457
  C      -8.942966      2.559662      4.467889
  O      -9.285623      1.844805      3.356340
  H      -5.046205     -2.716900     -2.339353
  H      -6.824588     -2.675230     -2.251202
  H      -5.826271     -3.160767     -0.819397
  H      -6.359359      1.122166      0.074037
  H      -4.768597      2.398356      3.011684
  H      -2.809360     -0.330630      5.023027
  H      -1.505504     -0.463455      3.798389
  H      -2.480167     -1.321778      2.013687
  H      -2.728344     -2.741384      0.271152
  H      -9.764804      8.872417      6.259966
  H      -8.828157     10.055953      5.331469
  H     -10.467667      9.601526      4.777597
  H      -7.535463      8.432714      6.694600
  H      -5.916754      7.892482      8.111496
  H      -3.231947      5.997010      7.309827
  H      -4.424834      5.163363      8.241971
  H      -5.975163      4.627103      3.913675
  H      -8.631027      6.691005      2.743271
  H     -10.190446      3.972614      2.131459
  H     -11.649823      3.200302      2.844489
  H     -11.692222      4.914994      2.381079
  H      -9.681327      5.183502      6.512994
  H      -7.001199      3.776507      8.399376
  H      -5.483945      1.023318      5.397087
  H      -5.681767      0.134588      6.917023
  H      -7.346433      1.188963      4.747100
  H     -10.168636      2.095806      3.034215
  N      -1.610079      4.046656      5.055575
  N      -1.440823      5.310745      5.038893
  H      -0.961277      5.755507      4.249567
  H      -1.852721      5.950566      5.730016
96
Coordinates from ORCA-job orca E -6715.756961796378
  N      -1.442740      1.323566      4.971616
  Mo     -2.615997      2.664570      5.883046
  N      -3.872623      1.245749      6.708725
  C      -3.393716      0.774845      8.000516
  C      -1.888849      0.582828      7.897657
  N      -1.250897      1.877624      7.462274
  C       0.072293      1.656598      6.808030
  C      -0.170086      0.875058      5.528188
  C      -1.094377      2.781815      8.656451
  C      -1.665450      4.146150      8.327950
  N      -2.859363      3.893659      7.560921
  H       0.665004      1.040254      4.824473
  H      -0.188750     -0.210302      5.737504
  H       0.487210      2.648625      6.587655
  H       0.759248      1.132417      7.493168
  H      -1.896037      4.668902      9.275296
  H      -0.928756      4.779151      7.788123
  H      -1.659968      2.342672      9.486382
  H      -0.035204      2.820754      8.948663
  H      -3.873681     -0.176339      8.296465
  H      -3.636322      1.514537      8.787892
  H      -1.681810     -0.171932      7.131504
  H      -1.433293      0.251754      8.843245
  C      -6.045539     -2.532962     -1.548049
  C      -6.000748     -1.071192     -1.191052
  O      -6.652586     -0.246003     -1.819254
  C      -5.180462     -0.600948     -0.010633
  C      -5.624501      0.561993      0.616416
  C      -4.969347      1.085901      1.733465
  O      -5.435056      2.207929      2.307113
  C      -3.817487      0.414116      2.243635
  C      -3.223791      0.928190      3.449205
  O      -3.623293      2.002697      3.967375
  C      -2.149829      0.274663      4.268047
  C      -3.355467     -0.751633      1.588775
  C      -4.015928     -1.256962      0.476450
  O      -3.567683     -2.358210     -0.194957
  C      -9.585689      9.199364      5.302017
  C      -8.987087      8.136679      4.425183
  O      -9.460552      7.933937      3.289586
  C      -7.847952      7.331549      4.897003
  C      -7.223304      7.578206      6.129976
  C      -6.137160      6.826239      6.564848
  O      -5.502441      7.112299      7.740416
  C      -5.668409      5.742309      5.767296
  C      -4.567363      4.868663      6.155481
  O      -4.257094      3.899083      5.400455
  C      -3.764709      5.005268      7.403409
  C      -6.291008      5.498588      4.531771
  C      -7.348036      6.280501      4.071345
  O      -7.885780      6.020563      2.870349
  C     -10.896375      4.164577      2.632066
  C     -10.535656      4.529917      4.053271
  O     -11.035502      5.523896      4.571774
  C      -9.522593      3.724013      4.818450
  C      -9.170243      4.236625      6.074124
  C      -8.138595      3.695323      6.836219
  O      -7.853080      4.234939      8.036466
  C      -7.376291      2.612833      6.302045
  C      -6.195146      2.151981      7.038787
  O      -5.908250      2.644643      8.150587
  C      -5.286648      1.069632      6.456362
  C      -7.771080      2.060132      5.071972
  C      -8.849355      2.562003      4.347483
  O      -9.141139      1.874965      3.204153
  H      -5.229258     -2.747509     -2.257116
  H      -6.997044     -2.739122     -2.052141
  H      -5.898615     -3.191929     -0.684301
  H      -6.503944      1.070137      0.219600
  H      -4.815818      2.395576      3.077082
  H      -2.750011     -0.333885      4.988365
  H      -1.466132     -0.406397      3.740489
  H      -2.470646     -1.264211      1.970612
  H      -2.756869     -2.685870      0.233494
  H      -9.791668      8.824896      6.315433
  H      -8.884220     10.043581      5.403911
  H     -10.512333      9.559959      4.843783
  H      -7.585202      8.389256      6.765307
  H      -5.987877      7.824577      8.196575
  H      -3.263175      5.999085      7.373051
  H      -4.446420      5.114755      8.270644
  H      -5.936486      4.677870      3.909736
  H      -8.597424      6.740098      2.750566
  H      -9.996202      4.033380      2.010385
  H     -11.491456      3.233325      2.607128
  H     -11.515346      4.963305      2.208809
  H      -9.699489      5.120426      6.430876
  H      -7.054030      3.715428      8.367019
  H      -5.442523      0.996873      5.374384
  H      -5.643482      0.115680      6.897395
  H      -7.246797      1.204377      4.649325
  H     -10.016136      2.123681      2.859368
  N      -1.601229      4.075803      5.062717
  N      -1.444765      5.341128      5.070803
  H      -0.965702      5.805818      4.292741
  H      -1.870346      5.964045      5.769477
96
Coordinates from ORCA-job orca E -6715.758146656823
  N      -1.419267      1.337759      4.964884
  Mo     -2.596422      2.677507      5.882038
  N      -3.853753      1.257183      6.705883
  C      -3.379722      0.791053      8.000613
  C      -1.874747      0.595926      7.901967
  N      -1.232628      1.887510      7.463100
  C       0.089848      1.661196      6.807410
  C      -0.155435      0.875780      5.531703
  C      -1.072631      2.792835      8.656504
  C      -1.646205      4.156514      8.329171
  N      -2.840264      3.901750      7.563231
  H       0.685085      1.025161      4.831061
  H      -0.190793     -0.208091      5.747344
  H       0.503825      2.652365      6.581202
  H       0.777992      1.139825      7.493377
  H      -1.876274      4.679745      9.276187
  H      -0.909672      4.789124      7.788920
  H      -1.635361      2.353634      9.488351
  H      -0.012344      2.832136      8.944528
  H      -3.861338     -0.158770      8.297748
  H      -3.623291      1.533451      8.785307
  H      -1.668457     -0.163457      7.140224
  H      -1.421601      0.268260      8.849891
  C      -6.176290     -2.545480     -1.427128
  C      -6.122608     -1.078940     -1.090235
  O      -6.795305     -0.262092     -1.706916
  C      -5.267078     -0.594514      0.058616
  C      -5.705373      0.560847      0.702927
  C      -5.015860      1.094905      1.794188
  O      -5.479719      2.209296      2.385033
  C      -3.837419      0.438392      2.262259
  C      -3.211566      0.952247      3.451952
  O      -3.597111      2.030714      3.975866
  C      -2.119794      0.297477      4.242962
  C      -3.381099     -0.718282      1.587168
  C      -4.074099     -1.231579      0.498912
  O      -3.633423     -2.322400     -0.194447
  C      -9.626790      9.154980      5.346654
  C      -8.994615      8.126348      4.453038
  O      -9.440719      7.950766      3.301939
  C      -7.848947      7.328583      4.922048
  C      -7.251405      7.549524      6.173211
  C      -6.162209      6.801606      6.607616
  O      -5.558328      7.057705      7.805861
  C      -5.661180      5.749374      5.788072
  C      -4.558276      4.877049      6.173728
  O      -4.237243      3.920348      5.406832
  C      -3.767541      4.997376      7.430176
  C      -6.255467      5.532547      4.533688
  C      -7.316089      6.310819      4.075878
  O      -7.827317      6.076400      2.858036
  C     -10.789551      4.166760      2.500088
  C     -10.489101      4.500950      3.942775
  O     -11.038524      5.462228      4.472601
  C      -9.479793      3.701983      4.721021
  C      -9.162882      4.204841      5.989545
  C      -8.141335      3.668410      6.768753
  O      -7.887197      4.202193      7.978699
  C      -7.357420      2.596647      6.243509
  C      -6.189394      2.139959      7.003165
  O      -5.926076      2.633230      8.120982
  C      -5.262837      1.062466      6.439867
  C      -7.718762      2.052012      4.999207
  C      -8.781743      2.553822      4.252876
  O      -9.038625      1.880202      3.092742
  H      -5.400842     -2.760998     -2.180374
  H      -7.152891     -2.763862     -1.875235
  H      -5.976005     -3.194327     -0.566777
  H      -6.607591      1.055120      0.341438
  H      -4.837788      2.410845      3.130261
  H      -2.700822     -0.341946      4.952809
  H      -1.434601     -0.361008      3.688681
  H      -2.473136     -1.215891      1.932353
  H      -2.801288     -2.637779      0.201278
  H      -9.824561      8.760370      6.353887
  H      -8.949263     10.016975      5.462590
  H     -10.561148      9.497684      4.890336
  H      -7.639379      8.334885      6.825071
  H      -6.064510      7.747857      8.273220
  H      -3.288537      6.002312      7.435432
  H      -4.462055      5.065076      8.292283
  H      -5.876287      4.735752      3.895467
  H      -8.550783      6.785171      2.746272
  H      -9.866275      4.043407      1.912795
  H     -11.385922      3.238197      2.432231
  H     -11.391234      4.974894      2.069766
  H      -9.712186      5.077087      6.344326
  H      -7.089047      3.688871      8.322082
  H      -5.408157      0.974281      5.357908
  H      -5.612485      0.109524      6.888349
  H      -7.177753      1.205415      4.580278
  H      -9.905362      2.130564      2.728850
  N      -1.579007      4.093002      5.068022
  N      -1.430042      5.358235      5.092001
  H      -0.941274      5.835846      4.327705
  H      -1.853259      5.969720      5.802969
96
Coordinates from ORCA-job orca E -6715.759582850596
  N      -1.406405      1.319022      4.972344
  Mo     -2.576592      2.680977      5.877820
  N      -3.848011      1.278841      6.713879
  C      -3.381784      0.821199      8.013916
  C      -1.877780      0.613377      7.924230
  N      -1.221579      1.892221      7.470512
  C       0.098664      1.642355      6.817509
  C      -0.154852      0.842397      5.553645
  C      -1.051856      2.809836      8.653630
  C      -1.612868      4.175151      8.310732
  N      -2.807902      3.921582      7.546762
  H       0.691641      0.965071      4.854996
  H      -0.213133     -0.237400      5.785470
  H       0.520812      2.626616      6.576456
  H       0.782223      1.124223      7.510340
  H      -1.838482      4.712669      9.250469
  H      -0.868328      4.792404      7.763969
  H      -1.618869      2.385496      9.490283
  H       0.009197      2.841395      8.939819
  H      -3.870475     -0.123265      8.316049
  H      -3.623383      1.571218      8.792170
  H      -1.675202     -0.159610      7.175382
  H      -1.431379      0.296404      8.878992
  C      -6.248018     -2.529473     -1.372072
  C      -6.172040     -1.059761     -1.052149
  O      -6.840052     -0.240550     -1.670379
  C      -5.300906     -0.575819      0.084733
  C      -5.726532      0.580895      0.734297
  C      -5.019093      1.113863      1.814505
  O      -5.473067      2.231663      2.407223
  C      -3.839104      0.451084      2.269826
  C      -3.197607      0.955938      3.455962
  O      -3.565586      2.043326      3.978742
  C      -2.104854      0.291168      4.233407
  C      -3.393982     -0.705046      1.585763
  C      -4.102562     -1.214834      0.506365
  O      -3.673090     -2.303567     -0.197478
  C      -9.673565      9.092468      5.379194
  C      -9.016563      8.089312      4.474626
  O      -9.452569      7.923072      3.318195
  C      -7.855242      7.309387      4.935600
  C      -7.271466      7.519406      6.195117
  C      -6.172639      6.783523      6.625528
  O      -5.590290      7.019415      7.838279
  C      -5.642910      5.759451      5.789150
  C      -4.536781      4.890707      6.173418
  O      -4.208874      3.940789      5.400386
  C      -3.755596      5.000198      7.435731
  C      -6.221248      5.555574      4.525064
  C      -7.296155      6.318241      4.074930
  O      -7.798020      6.089561      2.851874
  C     -10.733673      4.178291      2.432526
  C     -10.482597      4.482667      3.891137
  O     -11.078701      5.409375      4.431633
  C      -9.468361      3.695304      4.676062
  C      -9.170709      4.196969      5.949125
  C      -8.151786      3.668451      6.737414
  O      -7.912423      4.206587      7.948297
  C      -7.356530      2.600206      6.221214
  C      -6.193250      2.150333      6.992141
  O      -5.939893      2.649292      8.110325
  C      -5.255260      1.074673      6.442752
  C      -7.702038      2.054236      4.972588
  C      -8.755259      2.555013      4.212539
  O      -8.994273      1.886824      3.044864
  H      -5.499893     -2.757410     -2.148777
  H      -7.240057     -2.743820     -1.787389
  H      -6.026348     -3.172368     -0.512780
  H      -6.632729      1.077783      0.386804
  H      -4.826377      2.434546      3.144741
  H      -2.678482     -0.369631      4.930047
  H      -1.421931     -0.354421      3.660586
  H      -2.480330     -1.203297      1.914281
  H      -2.835806     -2.621437      0.185487
  H      -9.846911      8.691728      6.388360
  H      -9.023069      9.976191      5.487151
  H     -10.622947      9.405975      4.932975
  H      -7.682153      8.282302      6.859402
  H      -6.116047      7.687790      8.315461
  H      -3.298996      6.014269      7.472885
  H      -4.462310      5.028234      8.291066
  H      -5.822250      4.777636      3.875980
  H      -8.542576      6.777327      2.750281
  H      -9.793778      4.066267      1.871204
  H     -11.326601      3.250672      2.328077
  H     -11.325699      4.993015      2.001147
  H      -9.733664      5.061269      6.301779
  H      -7.113658      3.698972      8.300002
  H      -5.397712      0.970231      5.361935
  H      -5.599734      0.125578      6.902687
  H      -7.152822      1.211491      4.557773
  H      -9.851800      2.147426      2.666417
  N      -1.545353      4.083490      5.053929
  N      -1.397433      5.347746      5.073468
  H      -0.905165      5.824036      4.310497
  H      -1.830917      5.961417      5.777377
96
Coordinates from ORCA-job orca E -6715.760968608921
  N      -1.387580      1.294325      4.985205
  Mo     -2.549318      2.685415      5.870864
  N      -3.841448      1.307278      6.715114
  C      -3.388820      0.857798      8.022589
  C      -1.886391      0.632418      7.948279
  N      -1.210202      1.895337      7.481053
  C       0.108862      1.617056      6.836031
  C      -0.150636      0.803304      5.583073
  C      -1.031878      2.826264      8.652582
  C      -1.573393      4.194316      8.288761
  N      -2.768054      3.944211      7.523940
  H       0.703205      0.898816      4.888859
  H      -0.232428     -0.271752      5.830998
  H       0.544056      2.592446      6.582077
  H       0.783095      1.099561      7.538289
  H      -1.794888      4.749664      9.218695
  H      -0.816931      4.790978      7.735635
  H      -1.608734      2.421298      9.492134
  H       0.028688      2.846449      8.941645
  H      -3.888012     -0.080012      8.327944
  H      -3.629235      1.615535      8.793985
  H      -1.687173     -0.155829      7.214725
  H      -1.452370      0.326311      8.912330
  C      -6.322905     -2.493446     -1.321056
  C      -6.217726     -1.022221     -1.014572
  O      -6.870880     -0.195294     -1.638122
  C      -5.331373     -0.546357      0.113352
  C      -5.735268      0.616688      0.764852
  C      -5.010388      1.142142      1.837052
  O      -5.446855      2.268379      2.427817
  C      -3.836792      0.463220      2.285067
  C      -3.177178      0.957154      3.466197
  O      -3.529925      2.051355      3.991227
  C      -2.084807      0.279990      4.229821
  C      -3.412263     -0.698195      1.596216
  C      -4.136630     -1.199180      0.523571
  O      -3.726175     -2.291653     -0.185796
  C      -9.728840      9.009228      5.414493
  C      -9.041639      8.039271      4.496252
  O      -9.467115      7.883987      3.334281
  C      -7.860272      7.283427      4.947007
  C      -7.288224      7.483642      6.213471
  C      -6.176290      6.764112      6.637530
  O      -5.611533      6.982464      7.861595
  C      -5.617596      5.770031      5.784611
  C      -4.505611      4.907632      6.166177
  O      -4.169359      3.965178      5.387233
  C      -3.733611      5.006905      7.433870
  C      -6.182152      5.578028      4.512162
  C      -7.273524      6.321975      4.071178
  O      -7.766299      6.099300      2.843037
  C     -10.706400      4.176567      2.373515
  C     -10.497291      4.454073      3.844205
  O     -11.139765      5.343318      4.394141
  C      -9.469165      3.686317      4.631268
  C      -9.183792      4.192479      5.904924
  C      -8.162234      3.676649      6.698418
  O      -7.934432      4.221390      7.908538
  C      -7.355651      2.612770      6.190106
  C      -6.194159      2.173082      6.969190
  O      -5.949788      2.679085      8.086740
  C      -5.246132      1.098147      6.433801
  C      -7.689749      2.061563      4.940378
  C      -8.739893      2.555063      4.171842
  O      -8.967428      1.886802      3.001487
  H      -5.595619     -2.737990     -2.112220
  H      -7.326662     -2.695302     -1.714328
  H      -6.094479     -3.133441     -0.461539
  H      -6.638785      1.124942      0.426942
  H      -4.799621      2.466066      3.163001
  H      -2.651075     -0.401689      4.912921
  H      -1.405910     -0.352397      3.636978
  H      -2.499659     -1.206148      1.912529
  H      -2.889419     -2.620375      0.189377
  H      -9.878782      8.597358      6.422772
  H      -9.110412      9.916043      5.520718
  H     -10.692391      9.290755      4.977283
  H      -7.721809      8.222449      6.890166
  H      -6.156840      7.627225      8.349248
  H      -3.298074      6.027771      7.502525
  H      -4.452594      4.995295      8.280273
  H      -5.762785      4.820872      3.851540
  H      -8.530343      6.765823      2.750968
  H      -9.753382      4.079809      1.832953
  H     -11.291308      3.247695      2.237557
  H     -11.295567      4.994318      1.943780
  H      -9.761575      5.047257      6.256754
  H      -7.134753      3.719842      8.267765
  H      -5.382474      0.982395      5.352946
  H      -5.590502      0.152285      6.900309
  H      -7.133329      1.221410      4.530124
  H      -9.816630      2.157173      2.610960
  N      -1.498023      4.069752      5.039249
  N      -1.349964      5.333566      5.053447
  H      -0.836310      5.806259      4.302427
  H      -1.777285      5.948126      5.761379
96
Coordinates from ORCA-job orca E -6715.762153113141
  N      -1.372152      1.277178      4.994906
  Mo     -2.526450      2.692686      5.864750
  N      -3.835407      1.334810      6.713551
  C      -3.393885      0.888857      8.026156
  C      -1.892836      0.650229      7.965144
  N      -1.200004      1.900185      7.488715
  C       0.117420      1.598673      6.850003
  C      -0.147406      0.774960      5.605266
  C      -1.014365      2.841736      8.650564
  C      -1.537280      4.212382      8.268158
  N      -2.731745      3.966435      7.502406
  H       0.711843      0.849159      4.914788
  H      -0.247412     -0.296155      5.865153
  H       0.564202      2.566494      6.587064
  H       0.783456      1.080438      7.559429
  H      -1.754279      4.784133      9.188768
  H      -0.769761      4.788924      7.709195
  H      -1.600812      2.454134      9.491682
  H       0.045441      2.851042      8.943125
  H      -3.900911     -0.044976      8.330667
  H      -3.634570      1.649723      8.794457
  H      -1.695583     -0.149491      7.243662
  H      -1.469896      0.352516      8.936816
  C      -6.397391     -2.477419     -1.262199
  C      -6.251733     -1.003512     -0.984717
  O      -6.884679     -0.171330     -1.621758
  C      -5.353341     -0.531261      0.134738
  C      -5.729949      0.647967      0.772613
  C      -4.991262      1.171018      1.836492
  O      -5.405977      2.314510      2.410189
  C      -3.832158      0.472477      2.292078
  C      -3.157545      0.962635      3.466645
  O      -3.492703      2.068985      3.983547
  C      -2.069040      0.275848      4.224936
  C      -3.433666     -0.705010      1.614274
  C      -4.170883     -1.203250      0.549490
  O      -3.784454     -2.311447     -0.148788
  C      -9.784741      8.926255      5.456757
  C      -9.072511      7.987182      4.525575
  O      -9.491879      7.840700      3.360054
  C      -7.872735      7.254354      4.965639
  C      -7.307962      7.447625      6.236365
  C      -6.183597      6.743933      6.653409
  O      -5.630330      6.949349      7.884747
  C      -5.601909      5.775452      5.786886
  C      -4.482301      4.921387      6.163948
  O      -4.136975      3.987358      5.378062
  C      -3.715371      5.012421      7.434717
  C      -6.157269      5.592555      4.508750
  C      -7.263835      6.318683      4.076855
  O      -7.751032      6.099838      2.845468
  C     -10.658842      4.206201      2.317893
  C     -10.501353      4.439581      3.802785
  O     -11.194181      5.281988      4.364696
  C      -9.463434      3.685577      4.590874
  C      -9.198041      4.184015      5.871551
  C      -8.175517      3.676466      6.669550
  O      -7.963397      4.218795      7.883538
  C      -7.353476      2.623591      6.162635
  C      -6.197061      2.187747      6.950657
  O      -5.963575      2.693759      8.070994
  C      -5.236695      1.120421      6.420821
  C      -7.668142      2.079311      4.904629
  C      -8.712267      2.570958      4.127393
  O      -8.918402      1.916411      2.945201
  H      -5.686483     -2.754327     -2.057363
  H      -7.410664     -2.660914     -1.640163
  H      -6.176187     -3.106949     -0.393232
  H      -6.624167      1.171128      0.432676
  H      -4.762756      2.509146      3.146791
  H      -2.632363     -0.420104      4.896453
  H      -1.394315     -0.348566      3.618132
  H      -2.529594     -1.227832      1.930946
  H      -2.954156     -2.653943      0.228597
  H      -9.913433      8.504583      6.463758
  H      -9.195300      9.852390      5.562180
  H     -10.760016      9.179316      5.028096
  H      -7.759389      8.165992      6.923203
  H      -6.191132      7.573719      8.381339
  H      -3.300647      6.038622      7.532271
  H      -4.442895      4.961225      8.273175
  H      -5.721534      4.853672      3.838152
  H      -8.532096      6.746518      2.762149
  H      -9.689697      4.133519      1.803834
  H     -11.231293      3.277267      2.135985
  H     -11.244677      5.030332      1.895687
  H      -9.793912      5.024378      6.227824
  H      -7.161517      3.723712      8.247369
  H      -5.366054      1.003591      5.338842
  H      -5.579896      0.172820      6.884714
  H      -7.100271      1.247261      4.493559
  H      -9.755436      2.201347      2.538780
  N      -1.457752      4.062764      5.028056
  N      -1.313171      5.326400      5.037008
  H      -0.798526      5.798370      4.286255
  H      -1.759727      5.941762      5.733201
96
Coordinates from ORCA-job orca E -6715.763252784411
  N      -1.351309      1.260026      5.005197
  Mo     -2.498683      2.702243      5.854901
  N      -3.826850      1.366864      6.705421
  C      -3.399442      0.922857      8.023419
  C      -1.900474      0.668893      7.978225
  N      -1.188670      1.905127      7.495769
  C       0.128177      1.580373      6.866847
  C      -0.138833      0.748691      5.628152
  C      -0.998235      2.855987      8.648707
  C      -1.499561      4.229399      8.246118
  N      -2.692338      3.989136      7.476291
  H       0.726498      0.804872      4.943215
  H      -0.254501     -0.318915      5.897750
  H       0.588229      2.540389      6.598039
  H       0.783355      1.059894      7.584653
  H      -1.712926      4.818202      9.156307
  H      -0.719442      4.783697      7.682516
  H      -1.597468      2.486291      9.488978
  H       0.059621      2.853241      8.948521
  H      -3.915934     -0.006627      8.325339
  H      -3.640763      1.686009      8.789183
  H      -1.704469     -0.141569      7.268563
  H      -1.491680      0.378246      8.958178
  C      -6.477244     -2.453809     -1.196021
  C      -6.298624     -0.979384     -0.939526
  O      -6.912513     -0.142007     -1.588200
  C      -5.384237     -0.512461      0.168742
  C      -5.730685      0.681582      0.795321
  C      -4.975429      1.199821      1.849925
  O      -5.366955      2.358112      2.410482
  C      -3.829094      0.482175      2.307994
  C      -3.134793      0.967530      3.473039
  O      -3.455049      2.081811      3.988242
  C      -2.046903      0.271279      4.221008
  C      -3.460208     -0.710643      1.639585
  C      -4.214066     -1.204898      0.584941
  O      -3.855855     -2.329053     -0.102692
  C      -9.845189      8.828568      5.498770
  C      -9.101323      7.931123      4.551398
  O      -9.511793      7.797087      3.381080
  C      -7.882460      7.223764      4.980956
  C      -7.328288      7.405585      6.257878
  C      -6.190702      6.719280      6.667546
  O      -5.650529      6.908337      7.907030
  C      -5.583616      5.780832      5.785971
  C      -4.455374      4.936278      6.157852
  O      -4.098806      4.012849      5.364107
  C      -3.694559      5.017178      7.432640
  C      -6.126353      5.612012      4.500158
  C      -7.246787      6.321063      4.076668
  O      -7.722962      6.113361      2.838697
  C     -10.618789      4.235363      2.261395
  C     -10.513150      4.418218      3.758225
  O     -11.257629      5.207155      4.331122
  C      -9.462189      3.681556      4.545562
  C      -9.216995      4.171070      5.833413
  C      -8.190387      3.674793      6.633769
  O      -7.994601      4.213049      7.852345
  C      -7.349687      2.637246      6.125622
  C      -6.196053      2.208494      6.920929
  O      -5.976005      2.712492      8.045334
  C      -5.223482      1.148822      6.397028
  C      -7.644518      2.100665      4.859245
  C      -8.685901      2.587453      4.075805
  O      -8.871832      1.946307      2.882922
  H      -5.778204     -2.756649     -1.992108
  H      -7.497047     -2.620751     -1.564205
  H      -6.264606     -3.075452     -0.319271
  H      -6.616112      1.220319      0.456676
  H      -4.725403      2.547319      3.147762
  H      -2.603223     -0.442297      4.880323
  H      -1.376313     -0.340449      3.595923
  H      -2.564959     -1.249848      1.954119
  H      -3.032015     -2.686851      0.274843
  H      -9.955977      8.388701      6.500036
  H      -9.289201      9.774010      5.614670
  H     -10.829908      9.052784      5.075486
  H      -7.800219      8.099054      6.956362
  H      -6.228230      7.508838      8.413667
  H      -3.301474      6.047289      7.561977
  H      -4.430773      4.923266      8.260825
  H      -5.671574      4.895878      3.817771
  H      -8.520405      6.739543      2.764209
  H      -9.634206      4.192995      1.774644
  H     -11.173646      3.306619      2.030053
  H     -11.205106      5.064918      1.850338
  H      -9.834312      4.992793      6.196608
  H      -7.188556      3.726514      8.219155
  H      -5.342533      1.035829      5.313246
  H      -5.568249      0.197761      6.853011
  H      -7.062743      1.279483      4.445703
  H      -9.695973      2.246805      2.461356
  N      -1.409660      4.056264      5.015819
  N      -1.269335      5.320290      5.024447
  H      -0.737809      5.793747      4.286642
  H      -1.717976      5.931291      5.724001
96
Coordinates from ORCA-job orca E -6715.764230750767
  N      -1.341909      1.235879      5.019337
  Mo     -2.476670      2.709230      5.846867
  N      -3.826683      1.402658      6.702271
  C      -3.412395      0.958444      8.024568
  C      -1.916513      0.686316      7.993272
  N      -1.183934      1.907023      7.504589
  C       0.130961      1.556564      6.885218
  C      -0.139846      0.717386      5.652206
  C      -0.986946      2.867930      8.647352
  C      -1.461765      4.244428      8.221787
  N      -2.653197      4.012679      7.447354
  H       0.730015      0.758411      4.971569
  H      -0.268145     -0.347095      5.930049
  H       0.606460      2.507568      6.611238
  H       0.774004      1.032628      7.611451
  H      -1.669438      4.852905      9.119740
  H      -0.667474      4.771804      7.652748
  H      -1.600637      2.519290      9.486325
  H       0.068368      2.850464      8.955756
  H      -3.939923      0.034248      8.323710
  H      -3.651948      1.723525      8.788736
  H      -1.723472     -0.134707      7.295104
  H      -1.521669      0.402057      8.980946
  C      -6.514130     -2.437496     -1.173466
  C      -6.292159     -0.964413     -0.943297
  O      -6.878174     -0.121211     -1.609859
  C      -5.377375     -0.504363      0.167609
  C      -5.695982      0.709249      0.770141
  C      -4.939436      1.223822      1.825823
  O      -5.309880      2.401750      2.359804
  C      -3.818166      0.483558      2.309253
  C      -3.118103      0.966148      3.472186
  O      -3.422977      2.092766      3.975148
  C      -2.037776      0.260351      4.221335
  C      -3.475592     -0.729561      1.663285
  C      -4.231684     -1.221683      0.609637
  O      -3.897345     -2.367636     -0.053637
  C      -9.894984      8.739347      5.536569
  C      -9.128928      7.874689      4.576663
  O      -9.535458      7.748140      3.403952
  C      -7.891064      7.193866      4.994826
  C      -7.341870      7.369663      6.274504
  C      -6.191555      6.700324      6.676165
  O      -5.658356      6.877918      7.920131
  C      -5.565618      5.786182      5.782509
  C      -4.429366      4.951045      6.149264
  O      -4.063636      4.035987      5.349151
  C      -3.671907      5.023671      7.426805
  C      -6.100993      5.626889      4.492064
  C      -7.234485      6.319614      4.077357
  O      -7.704373      6.120394      2.835340
  C     -10.625008      4.257532      2.248296
  C     -10.546048      4.407265      3.750681
  O     -11.328571      5.150483      4.333434
  C      -9.477454      3.690326      4.532665
  C      -9.237616      4.179678      5.821226
  C      -8.202816      3.694823      6.618707
  O      -8.009792      4.236497      7.836160
  C      -7.353722      2.664636      6.109386
  C      -6.198904      2.241258      6.905497
  O      -5.980291      2.748735      8.029063
  C      -5.220144      1.186965      6.381924
  C      -7.641906      2.129145      4.840687
  C      -8.685766      2.610090      4.057283
  O      -8.864783      1.975009      2.860109
  H      -5.813964     -2.779075     -1.952471
  H      -7.533865     -2.579296     -1.552402
  H      -6.335023     -3.046781     -0.280657
  H      -6.562662      1.266909      0.414062
  H      -4.680561      2.587220      3.106787
  H      -2.593925     -0.464877      4.868219
  H      -1.370416     -0.344298      3.584951
  H      -2.598588     -1.288808      1.994114
  H      -3.089321     -2.742721      0.341081
  H      -9.988915      8.286097      6.533559
  H      -9.366097      9.699394      5.659352
  H     -10.887369      8.939618      5.119089
  H      -7.829528      8.042179      6.982553
  H      -6.248896      7.458089      8.435642
  H      -3.297685      6.055751      7.584465
  H      -4.414090      4.890725      8.245357
  H      -5.631638      4.929862      3.799889
  H      -8.517151      6.726754      2.770575
  H      -9.633503      4.235525      1.774931
  H     -11.168531      3.329820      1.987590
  H     -11.214844      5.089725      1.847390
  H      -9.868620      4.988167      6.190720
  H      -7.199349      3.756074      8.202437
  H      -5.332705      1.082538      5.296432
  H      -5.568536      0.231938      6.827212
  H      -7.053678      1.313373      4.425533
  H      -9.675368      2.295082      2.426491
  N      -1.363465      4.042325      5.001717
  N      -1.224102      5.306191      5.005191
  H      -0.683748      5.778082      4.272857
  H      -1.679969      5.916728      5.701451
96
Coordinates from ORCA-job orca E -6715.764281539952
  N      -1.308792      1.242256      5.004703
  Mo     -2.483045      2.696721      5.821192
  N      -3.843397      1.374641      6.629133
  C      -3.449178      0.897698      7.945777
  C      -1.953721      0.635831      7.940887
  N      -1.223048      1.873113      7.499477
  C       0.109760      1.547596      6.911267
  C      -0.117289      0.728660      5.655080
  C      -1.068727      2.815269      8.663615
  C      -1.538808      4.195601      8.243910
  N      -2.705696      3.971692      7.428556
  H       0.770391      0.794776      4.998624
  H      -0.235786     -0.343042      5.909360
  H       0.583805      2.507951      6.669905
  H       0.736798      1.015754      7.645773
  H      -1.775349      4.793534      9.141708
  H      -0.729854      4.730220      7.703464
  H      -1.706159      2.449081      9.477214
  H      -0.023731      2.800211      9.005066
  H      -3.977407     -0.036036      8.212428
  H      -3.705409      1.641967      8.725934
  H      -1.735680     -0.166522      7.227908
  H      -1.581411      0.331955      8.931862
  C      -6.283823     -2.548596     -1.241788
  C      -6.094312     -1.067467     -1.041367
  O      -6.670191     -0.250730     -1.748794
  C      -5.217565     -0.565161      0.082240
  C      -5.565950      0.661452      0.638639
  C      -4.850295      1.220275      1.701659
  O      -5.266822      2.409828      2.172532
  C      -3.729585      0.505193      2.240232
  C      -3.040724      0.997670      3.404847
  O      -3.358303      2.117159      3.924085
  C      -1.974882      0.281731      4.165020
  C      -3.361198     -0.723277      1.639308
  C      -4.079597     -1.256041      0.580726
  O      -3.714743     -2.419274     -0.034405
  C      -9.739752      8.911630      5.207759
  C      -8.961418      8.017357      4.287225
  O      -9.302433      7.920838      3.090848
  C      -7.789888      7.268801      4.778118
  C      -7.330494      7.395525      6.098940
  C      -6.235556      6.677628      6.567067
  O      -5.790797      6.804475      7.850676
  C      -5.571841      5.768292      5.697203
  C      -4.458681      4.921546      6.106086
  O      -4.064021      4.020735      5.304576
  C      -3.735192      4.974652      7.406540
  C      -6.024975      5.646675      4.370881
  C      -7.103305      6.383680      3.891931
  O      -7.483977      6.226207      2.613994
  C     -11.025243      4.398811      2.761985
  C     -10.842067      4.393155      4.263141
  O     -11.632972      4.999813      4.977991
  C      -9.666895      3.689022      4.887787
  C      -9.370301      4.070129      6.200053
  C      -8.257813      3.583474      6.882341
  O      -8.015841      4.029158      8.130312
  C      -7.394951      2.648604      6.230535
  C      -6.194533      2.189407      6.932473
  O      -5.943250      2.599551      8.088202
  C      -5.235836      1.173787      6.307466
  C      -7.725438      2.227935      4.929425
  C      -8.835862      2.723935      4.253828
  O      -9.036726      2.210951      3.002907
  H      -5.545560     -2.901931     -1.979061
  H      -7.284993     -2.716653     -1.657059
  H      -6.133252     -3.128482     -0.324056
  H      -6.426786      1.197647      0.238531
  H      -4.663526      2.651931      2.929081
  H      -2.534002     -0.470455      4.780314
  H      -1.286000     -0.294391      3.524270
  H      -2.490237     -1.265574      2.013356
  H      -2.916139     -2.773831      0.397084
  H      -9.918493      8.451133      6.188310
  H      -9.171073      9.840733      5.378138
  H     -10.692584      9.167887      4.732968
  H      -7.844892      8.070425      6.785612
  H      -6.400144      7.388764      8.339021
  H      -3.368826      6.003903      7.593975
  H      -4.498725      4.819218      8.201207
  H      -5.525149      4.954116      3.695846
  H      -8.268121      6.864786      2.501775
  H     -10.074074      4.509871      2.221895
  H     -11.520128      3.464814      2.435802
  H     -11.702357      5.219323      2.498374
  H     -10.023726      4.794773      6.686119
  H      -7.155755      3.570271      8.403319
  H      -5.367970      1.141894      5.219788
  H      -5.579177      0.191437      6.694929
  H      -7.119605      1.492515      4.403483
  H      -9.873649      2.541727      2.631947
  N      -1.356579      4.048774      5.025107
  N      -1.244461      5.316894      5.052643
  H      -0.692338      5.812117      4.346563
  H      -1.734955      5.902302      5.745342
96
Coordinates from ORCA-job orca E -6715.766172722731
  N      -1.316459      1.270703      4.962509
  Mo     -2.500041      2.722045      5.790537
  N      -3.848482      1.398626      6.598400
  C      -3.448742      0.911893      7.909870
  C      -1.952754      0.647451      7.893234
  N      -1.223621      1.887274      7.459083
  C       0.107624      1.575492      6.863679
  C      -0.113684      0.771193      5.596332
  C      -1.067070      2.819507      8.628824
  C      -1.530773      4.201727      8.214065
  N      -2.700823      3.983145      7.401097
  H       0.770261      0.860077      4.936406
  H      -0.211337     -0.305872      5.837804
  H       0.575814      2.541662      6.634512
  H       0.739043      1.038326      7.590609
  H      -1.761102      4.802133      9.111542
  H      -0.720752      4.729132      7.668307
  H      -1.707524      2.451434      9.439415
  H      -0.022716      2.799381      8.971558
  H      -3.974779     -0.024577      8.171125
  H      -3.699095      1.648122      8.699774
  H      -1.737545     -0.149760      7.173324
  H      -1.577723      0.335921      8.881202
  C      -6.288822     -2.779527     -1.105454
  C      -6.155570     -1.288425     -0.940565
  O      -6.771564     -0.510678     -1.658235
  C      -5.277025     -0.727026      0.153638
  C      -5.654286      0.503987      0.680696
  C      -4.942098      1.119013      1.715259
  O      -5.405236      2.302695      2.159283
  C      -3.785032      0.458437      2.249803
  C      -3.068478      0.996661      3.373100
  O      -3.416287      2.110059      3.894705
  C      -1.968663      0.309899      4.111293
  C      -3.392760     -0.777947      1.681576
  C      -4.111176     -1.367577      0.654882
  O      -3.720091     -2.539119      0.072533
  C      -9.849913      8.863379      5.603668
  C      -9.102103      8.024755      4.607200
  O      -9.514248      7.951842      3.431360
  C      -7.893854      7.281105      5.010201
  C      -7.370765      7.378752      6.308623
  C      -6.245630      6.664750      6.700807
  O      -5.724376      6.775291      7.956043
  C      -5.622136      5.777986      5.781506
  C      -4.487743      4.934806      6.136658
  O      -4.099111      4.047222      5.314646
  C      -3.739471      4.972982      7.422279
  C      -6.134035      5.687152      4.473518
  C      -7.236242      6.433464      4.063925
  O      -7.657420      6.326745      2.793162
  C     -10.727911      4.508922      2.431529
  C     -10.643214      4.512268      3.941933
  O     -11.453092      5.158724      4.596300
  C      -9.524346      3.790191      4.645044
  C      -9.287851      4.188219      5.965687
  C      -8.229069      3.681582      6.719013
  O      -8.053572      4.136832      7.975115
  C      -7.354374      2.717091      6.124905
  C      -6.193003      2.233872      6.875371
  O      -5.952045      2.658506      8.028085
  C      -5.237170      1.208982      6.263768
  C      -7.625822      2.286218      4.813815
  C      -8.688334      2.791957      4.074029
  O      -8.841144      2.251478      2.828337
  H      -5.534952     -3.125765     -1.829856
  H      -7.282629     -2.995135     -1.516089
  H      -6.119708     -3.327437     -0.171106
  H      -6.538954      0.999888      0.280557
  H      -4.802899      2.601251      2.895573
  H      -2.484700     -0.480729      4.718350
  H      -1.271323     -0.223465      3.442448
  H      -2.498459     -1.281363      2.055385
  H      -2.904543     -2.855159      0.502710
  H      -9.973940      8.356734      6.569238
  H      -9.289934      9.794573      5.788844
  H     -10.829402      9.121432      5.187782
  H      -7.855672      8.031242      7.037138
  H      -6.308552      7.343035      8.492354
  H      -3.380385      6.000935      7.627125
  H      -4.488995      4.785625      8.223797
  H      -5.658841      5.020750      3.756247
  H      -8.433319      6.981351      2.726301
  H      -9.740270      4.581862      1.952986
  H     -11.236252      3.591511      2.080580
  H     -11.354928      5.351223      2.117287
  H      -9.948648      4.935587      6.405467
  H      -7.226978      3.653509      8.308340
  H      -5.354709      1.196541      5.173721
  H      -5.597730      0.223879      6.629732
  H      -7.008342      1.530741      4.330687
  H      -9.646960      2.597040      2.405214
  N      -1.382420      4.082993      4.998234
  N      -1.292289      5.354304      5.046319
  H      -0.744220      5.870525      4.353389
  H      -1.794744      5.915358      5.749691
96
Coordinates from ORCA-job orca E -6715.766869304379
  N      -1.294517      1.218387      5.012283
  Mo     -2.486450      2.689188      5.798446
  N      -3.843769      1.396320      6.638856
  C      -3.452114      0.939465      7.963006
  C      -1.957432      0.662800      7.954240
  N      -1.217868      1.887003      7.494405
  C       0.115383      1.553551      6.916963
  C      -0.099233      0.725712      5.663692
  C      -1.062639      2.845170      8.642740
  C      -1.503526      4.221340      8.186374
  N      -2.672309      3.993689      7.374122
  H       0.790741      0.801418      5.010345
  H      -0.200711     -0.347101      5.923502
  H       0.593293      2.511275      6.671998
  H       0.736460      1.026955      7.660367
  H      -1.730100      4.851472      9.063840
  H      -0.683755      4.720558      7.628359
  H      -1.717147      2.506412      9.454788
  H      -0.022587      2.820815      8.998238
  H      -3.985013      0.012937      8.245103
  H      -3.698436      1.695348      8.734707
  H      -1.747361     -0.152298      7.253115
  H      -1.586871      0.370526      8.949768
  C      -6.407928     -2.553616     -1.147907
  C      -6.176133     -1.077403     -0.959237
  O      -6.725526     -0.249324     -1.674651
  C      -5.276798     -0.592581      0.154275
  C      -5.569115      0.660826      0.685770
  C      -4.827868      1.211024      1.735077
  O      -5.196314      2.419896      2.202080
  C      -3.735847      0.469228      2.274783
  C      -3.005924      0.981228      3.396543
  O      -3.307467      2.124742      3.880611
  C      -1.930534      0.268234      4.142822
  C      -3.424182     -0.791016      1.709031
  C      -4.169957     -1.322828      0.669382
  O      -3.858361     -2.518095      0.087154
  C      -9.886132      8.781886      5.587072
  C      -9.148481      7.913133      4.608271
  O      -9.570724      7.802189      3.439179
  C      -7.923381      7.199250      5.009127
  C      -7.352974      7.358149      6.281064
  C      -6.205583      6.671858      6.658465
  O      -5.631345      6.849458      7.883083
  C      -5.610702      5.749072      5.753582
  C      -4.466810      4.918413      6.107274
  O      -4.087049      4.010414      5.302603
  C      -3.709303      4.983463      7.385351
  C      -6.169210      5.601608      4.470273
  C      -7.294715      6.320754      4.075283
  O      -7.777763      6.152111      2.833227
  C     -10.744012      4.404871      2.389857
  C     -10.640628      4.479042      3.897336
  O     -11.429451      5.172215      4.529497
  C      -9.530971      3.761844      4.619782
  C      -9.258724      4.222189      5.913429
  C      -8.198450      3.727934      6.671979
  O      -7.981131      4.240164      7.899192
  C      -7.353557      2.722039      6.111476
  C      -6.188993      2.264314      6.873449
  O      -5.954339      2.727896      8.011949
  C      -5.234071      1.216387      6.296420
  C      -7.660501      2.228358      4.830638
  C      -8.733215      2.711588      4.088959
  O      -8.934956      2.094595      2.886341
  H      -5.656608     -2.944677     -1.851697
  H      -7.400754     -2.694752     -1.592011
  H      -6.308016     -3.121241     -0.215283
  H      -6.407321      1.225855      0.276758
  H      -4.580102      2.652014      2.944142
  H      -2.456970     -0.532067      4.725859
  H      -1.221054     -0.251177      3.475247
  H      -2.573479     -1.357428      2.092300
  H      -3.074728     -2.895050      0.527322
  H     -10.002233      8.302604      6.568000
  H      -9.324426      9.718042      5.739897
  H     -10.869681      9.027739      5.173281
  H      -7.814749      8.039402      6.997920
  H      -6.198375      7.435979      8.417724
  H      -3.351363      6.015398      7.570973
  H      -4.453398      4.805504      8.193594
  H      -5.719459      4.904562      3.765492
  H      -8.574371      6.780213      2.783437
  H      -9.760876      4.428801      1.897637
  H     -11.280321      3.485339      2.089604
  H     -11.351951      5.247828      2.041714
  H      -9.890904      5.009137      6.325414
  H      -7.155910      3.758877      8.231676
  H      -5.336366      1.192089      5.205525
  H      -5.610651      0.239585      6.668274
  H      -7.069372      1.435907      4.376102
  H      -9.749535      2.422526      2.465713
  N      -1.362993      4.027927      4.978817
  N      -1.275959      5.300751      5.007450
  H      -0.717738      5.806156      4.314479
  H      -1.788306      5.871103      5.696174
96
Coordinates from ORCA-job orca E -6715.766972678816
  N      -1.273205      1.229534      5.011139
  Mo     -2.462797      2.709678      5.788878
  N      -3.845647      1.423185      6.595680
  C      -3.473493      0.931622      7.913277
  C      -1.979820      0.647646      7.920680
  N      -1.226711      1.876170      7.496140
  C       0.115228      1.547678      6.934766
  C      -0.081284      0.737222      5.666758
  C      -1.088369      2.818639      8.659630
  C      -1.499256      4.205744      8.205771
  N      -2.654828      4.002287      7.368290
  H       0.814923      0.826172      5.023699
  H      -0.178618     -0.339924      5.912049
  H       0.600153      2.507436      6.711917
  H       0.722671      1.008341      7.680292
  H      -1.733000      4.835094      9.081313
  H      -0.660546      4.693104      7.666097
  H      -1.767847      2.480320      9.450942
  H      -0.057664      2.775903      9.040495
  H      -4.014550      0.000820      8.164403
  H      -3.727913      1.668105      8.700146
  H      -1.762357     -0.154369      7.206873
  H      -1.626703      0.333938      8.916064
  C      -6.311680     -2.612870     -1.198671
  C      -6.132879     -1.134322     -0.973142
  O      -6.748108     -0.310291     -1.637732
  C      -5.245936     -0.643258      0.148062
  C      -5.592338      0.578237      0.719938
  C      -4.868239      1.131030      1.779311
  O      -5.289952      2.303026      2.292960
  C      -3.735910      0.431502      2.284398
  C      -3.020479      0.955408      3.411015
  O      -3.392335      2.063451      3.927653
  C      -1.894224      0.283834      4.124269
  C      -3.367255     -0.794339      1.677797
  C      -4.099071     -1.333728      0.631820
  O      -3.735926     -2.496546      0.015046
  C      -9.835890      8.823073      5.458590
  C      -9.073466      7.954288      4.499852
  O      -9.452199      7.860916      3.314371
  C      -7.862545      7.236059      4.933749
  C      -7.335964      7.377669      6.226586
  C      -6.202994      6.684330      6.634350
  O      -5.681995      6.835154      7.886142
  C      -5.574254      5.777591      5.733701
  C      -4.439198      4.942839      6.101732
  O      -4.047892      4.047335      5.288432
  C      -3.699383      4.984589      7.392499
  C      -6.090875      5.647421      4.431510
  C      -7.204780      6.368424      4.010971
  O      -7.654361      6.207245      2.755599
  C     -10.924868      4.442271      2.560415
  C     -10.775420      4.479488      4.065170
  O     -11.574934      5.113095      4.745126
  C      -9.624909      3.770668      4.729052
  C      -9.328353      4.189914      6.030573
  C      -8.236273      3.694132      6.740449
  O      -7.991274      4.169060      7.977213
  C      -7.387423      2.726768      6.124127
  C      -6.203302      2.264576      6.852498
  O      -5.963186      2.698502      8.001566
  C      -5.233272      1.254638      6.232849
  C      -7.713191      2.276803      4.831576
  C      -8.813820      2.766122      4.134853
  O      -9.025516      2.204919      2.906902
  H      -5.549240     -2.958151     -1.913911
  H      -7.300986     -2.779342     -1.642112
  H      -6.187238     -3.199585     -0.280995
  H      -6.461527      1.113925      0.336645
  H      -4.680217      2.536403      3.037274
  H      -2.367886     -0.558931      4.689318
  H      -1.176606     -0.183614      3.426250
  H      -2.485211     -1.328636      2.035113
  H      -2.930438     -2.845686      0.438132
  H      -9.993460      8.334634      6.429787
  H      -9.269146      9.750914      5.641475
  H     -10.800626      9.084652      5.011424
  H      -7.824620      8.046129      6.937662
  H      -6.272196      7.409542      8.408793
  H      -3.350616      6.012576      7.610278
  H      -4.454698      4.777987      8.183561
  H      -5.618826      4.958608      3.732680
  H      -8.459550      6.823337      2.693808
  H      -9.959104      4.499894      2.038848
  H     -11.450576      3.519177      2.252655
  H     -11.561936      5.280089      2.254279
  H      -9.967673      4.944405      6.489368
  H      -7.152032      3.688055      8.269789
  H      -5.326704      1.280830      5.140899
  H      -5.606456      0.259260      6.554454
  H      -7.115850      1.517342      4.331528
  H      -9.843848      2.551325      2.508634
  N      -1.309830      4.049210      5.005370
  N      -1.223517      5.320242      5.050953
  H      -0.650718      5.834137      4.375816
  H      -1.754230      5.881302      5.734439
96
Coordinates from ORCA-job orca E -6715.768070877864
  N      -1.290502      1.228779      4.998113
  Mo     -2.484757      2.701419      5.779972
  N      -3.860663      1.416283      6.600721
  C      -3.481501      0.922915      7.914511
  C      -1.989167      0.637693      7.910293
  N      -1.240699      1.867680      7.484120
  C       0.099036      1.539566      6.921655
  C      -0.099533      0.732645      5.650932
  C      -1.101844      2.809382      8.648017
  C      -1.513265      4.196751      8.193868
  N      -2.671631      3.993508      7.359130
  H       0.797110      0.824369      5.008583
  H      -0.196313     -0.345617      5.891732
  H       0.586900      2.498429      6.701963
  H       0.704988      0.996611      7.665751
  H      -1.743611      4.828106      9.068860
  H      -0.677133      4.682677      7.649290
  H      -1.781823      2.470865      9.438835
  H      -0.071632      2.766263      9.030317
  H      -4.023029     -0.006622      8.169750
  H      -3.727969      1.660112      8.703599
  H      -1.776141     -0.161335      7.191510
  H      -1.629146      0.320439      8.902215
  C      -6.213084     -2.694615     -1.223438
  C      -6.069814     -1.210007     -1.016039
  O      -6.665094     -0.407199     -1.723698
  C      -5.203512     -0.684993      0.106105
  C      -5.559766      0.552603      0.633399
  C      -4.858298      1.140042      1.690278
  O      -5.299761      2.328529      2.143076
  C      -3.730151      0.452577      2.241458
  C      -3.015236      0.981937      3.370290
  O      -3.349896      2.104885      3.879688
  C      -1.903260      0.296061      4.090795
  C      -3.355668     -0.791225      1.675759
  C      -4.068454     -1.361262      0.633596
  O      -3.699349     -2.545382      0.063289
  C      -9.817527      8.850733      5.430502
  C      -9.082656      7.961463      4.469760
  O      -9.502637      7.836658      3.301108
  C      -7.874321      7.233277      4.900356
  C      -7.357714      7.371835      6.197906
  C      -6.235992      6.668626      6.619213
  O      -5.736909      6.805648      7.880751
  C      -5.601892      5.759863      5.725476
  C      -4.467208      4.927489      6.098658
  O      -4.077003      4.031885      5.286454
  C      -3.721371      4.972706      7.387638
  C      -6.109994      5.627153      4.420393
  C      -7.214085      6.354674      3.985301
  O      -7.639218      6.196038      2.721739
  C     -10.924525      4.533194      2.656914
  C     -10.777158      4.533864      4.162473
  O     -11.566511      5.166916      4.854679
  C      -9.628208      3.810481      4.812063
  C      -9.336310      4.201256      6.123289
  C      -8.246160      3.692588      6.827253
  O      -8.012900      4.143096      8.075909
  C      -7.395306      2.735380      6.192343
  C      -6.204570      2.257497      6.900632
  O      -5.940887      2.674468      8.050709
  C      -5.250415      1.252325      6.252578
  C      -7.717345      2.314436      4.889439
  C      -8.812646      2.821612      4.197649
  O      -9.010459      2.294028      2.953139
  H      -5.412400     -3.040775     -1.895523
  H      -7.178355     -2.886369     -1.706969
  H      -6.119515     -3.261419     -0.289368
  H      -6.419364      1.076056      0.213727
  H      -4.698034      2.604050      2.886395
  H      -2.382717     -0.555229      4.637822
  H      -1.176877     -0.159610      3.392948
  H      -2.483440     -1.318002      2.068444
  H      -2.903275     -2.882914      0.512787
  H      -9.960289      8.375478      6.410218
  H      -9.238151      9.774360      5.592245
  H     -10.788390      9.116209      4.999282
  H      -7.851881      8.040302      6.905572
  H      -6.332305      7.380309      8.397030
  H      -3.371410      6.001631      7.598610
  H      -4.471266      4.770184      8.185032
  H      -5.633841      4.935166      3.727530
  H      -8.425278      6.836729      2.635368
  H      -9.956841      4.600300      2.139290
  H     -11.453493      3.620170      2.326120
  H     -11.556441      5.381434      2.369200
  H      -9.977336      4.946223      6.594989
  H      -7.181629      3.647616      8.373098
  H      -5.358629      1.293355      5.162724
  H      -5.622220      0.253853      6.566580
  H      -7.113278      1.570938      4.372504
  H      -9.822339      2.653065      2.553478
  N      -1.337814      4.042693      4.990950
  N      -1.257242      5.314814      5.040076
  H      -0.675663      5.831075      4.375028
  H      -1.767753      5.869651      5.742879
96
Coordinates from ORCA-job orca E -6715.768646338710
  N      -1.282265      1.221744      5.003596
  Mo     -2.478339      2.700248      5.772342
  N      -3.858426      1.429138      6.604164
  C      -3.482689      0.935941      7.918928
  C      -1.990538      0.645680      7.914010
  N      -1.237952      1.871903      7.484732
  C       0.102825      1.539597      6.928347
  C      -0.091019      0.730712      5.657537
  C      -1.101348      2.818257      8.644261
  C      -1.495416      4.205724      8.176128
  N      -2.652775      4.005703      7.339251
  H       0.806689      0.826102      5.016931
  H      -0.183268     -0.348049      5.898473
  H       0.595057      2.496445      6.709761
  H       0.703594      0.996020      7.676234
  H      -1.721512      4.848954      9.043366
  H      -0.652604      4.675744      7.628102
  H      -1.792628      2.491505      9.430220
  H      -0.075448      2.767542      9.037199
  H      -4.026544      0.007740      8.174081
  H      -3.727715      1.673074      8.708303
  H      -1.780206     -0.155166      7.196449
  H      -1.631074      0.329103      8.906517
  C      -6.270582     -2.684269     -1.177577
  C      -6.120141     -1.201110     -0.966599
  O      -6.737340     -0.394500     -1.650882
  C      -5.237734     -0.682053      0.146187
  C      -5.582374      0.557105      0.678355
  C      -4.866122      1.141413      1.726835
  O      -5.297737      2.330100      2.190493
  C      -3.733755      0.451464      2.261415
  C      -3.002666      0.983221      3.377096
  O      -3.333924      2.106779      3.887997
  C      -1.883918      0.296161      4.084444
  C      -3.371884     -0.794979      1.693902
  C      -4.099919     -1.363781      0.661610
  O      -3.743026     -2.551348      0.090639
  C      -9.877517      8.782571      5.541677
  C      -9.140689      7.910104      4.566783
  O      -9.560915      7.798527      3.396976
  C      -7.916718      7.196834      4.974407
  C      -7.362289      7.349764      6.254533
  C      -6.220609      6.660553      6.644274
  O      -5.675043      6.816698      7.884322
  C      -5.608043      5.749803      5.738359
  C      -4.462645      4.924909      6.093775
  O      -4.073964      4.028756      5.280350
  C      -3.708829      4.976191      7.377232
  C      -6.152605      5.605645      4.448980
  C      -7.277318      6.320030      4.045229
  O      -7.750183      6.145584      2.800439
  C     -10.819832      4.550323      2.522850
  C     -10.704237      4.564142      4.031325
  O     -11.494548      5.221571      4.699035
  C      -9.580101      3.831568      4.713688
  C      -9.306504      4.240142      6.023806
  C      -8.234819      3.730829      6.755343
  O      -8.013071      4.205592      7.997056
  C      -7.383651      2.755152      6.150279
  C      -6.204090      2.281009      6.879696
  O      -5.960660      2.696482      8.034632
  C      -5.245327      1.273551      6.242980
  C      -7.690041      2.313936      4.850553
  C      -8.768878      2.819071      4.132062
  O      -8.955790      2.262569      2.898798
  H      -5.468373     -3.034606     -1.845507
  H      -7.235265     -2.870472     -1.664234
  H      -6.183224     -3.251952     -0.243230
  H      -6.444874      1.084080      0.269075
  H      -4.684165      2.603064      2.924053
  H      -2.346527     -0.573294      4.617019
  H      -1.153820     -0.134145      3.373707
  H      -2.497560     -1.324981      2.077275
  H      -2.943229     -2.891178      0.531886
  H     -10.026998      8.286429      6.509848
  H      -9.297142      9.701200      5.726177
  H     -10.846072      9.058196      5.111788
  H      -7.837920      8.021779      6.971169
  H      -6.256328      7.390467      8.417269
  H      -3.366007      6.007588      7.588380
  H      -4.452806      4.764092      8.177814
  H      -5.693749      4.911438      3.747140
  H      -8.555452      6.763693      2.745955
  H      -9.840196      4.595583      2.025260
  H     -11.358834      3.644015      2.189919
  H     -11.428718      5.407529      2.212987
  H      -9.944332      5.003129      6.470625
  H      -7.182509      3.719047      8.309776
  H      -5.338622      1.328031      5.152156
  H      -5.626460      0.272996      6.539697
  H      -7.086059      1.554172      4.357425
  H      -9.756540      2.621009      2.477005
  N      -1.326590      4.034552      4.976323
  N      -1.248769      5.307012      5.024789
  H      -0.664743      5.823703      4.362400
  H      -1.777538      5.861456      5.714455
96
Coordinates from ORCA-job orca E -6715.768700144726
  N      -1.283165      1.212834      5.009472
  Mo     -2.473796      2.702295      5.764746
  N      -3.873146      1.452583      6.600934
  C      -3.508666      0.953505      7.916512
  C      -2.018689      0.648026      7.915965
  N      -1.252907      1.867263      7.489682
  C       0.089792      1.523414      6.945556
  C      -0.100394      0.715399      5.674146
  C      -1.117633      2.813969      8.648941
  C      -1.482366      4.205680      8.170562
  N      -2.636059      4.019804      7.326353
  H       0.802778      0.804023      5.040320
  H      -0.202151     -0.362537      5.915478
  H       0.593298      2.475245      6.730443
  H       0.678826      0.974514      7.698846
  H      -1.703605      4.858206      9.031945
  H      -0.627342      4.657375      7.625919
  H      -1.826330      2.501556      9.424976
  H      -0.098743      2.746693      9.057664
  H      -4.062733      0.030333      8.167618
  H      -3.749776      1.690806      8.706637
  H      -1.815524     -0.153964      7.197790
  H      -1.663934      0.326674      8.908694
  C      -6.217112     -2.721169     -1.219598
  C      -6.088746     -1.238938     -0.988255
  O      -6.710335     -0.431560     -1.667694
  C      -5.203109     -0.721522      0.122784
  C      -5.546683      0.517944      0.656928
  C      -4.825641      1.100185      1.702181
  O      -5.248660      2.287335      2.180402
  C      -3.695480      0.412280      2.231108
  C      -2.973575      0.962864      3.341367
  O      -3.316192      2.097784      3.815854
  C      -1.858494      0.291975      4.068926
  C      -3.333387     -0.835224      1.666641
  C      -4.064109     -1.404315      0.635676
  O      -3.708483     -2.592376      0.064930
  C      -9.890003      8.763202      5.557528
  C      -9.130953      7.915521      4.577946
  O      -9.550531      7.793760      3.408952
  C      -7.899214      7.216049      4.983394
  C      -7.345846      7.361990      6.265152
  C      -6.200139      6.675345      6.648897
  O      -5.652513      6.824854      7.889254
  C      -5.584943      5.774005      5.735263
  C      -4.442664      4.943428      6.086638
  O      -4.057296      4.047540      5.271101
  C      -3.693708      4.986710      7.371806
  C      -6.125973      5.641874      4.443409
  C      -7.253338      6.355016      4.046134
  O      -7.723723      6.195225      2.798167
  C     -10.935287      4.533805      2.576446
  C     -10.766822      4.587102      4.079069
  O     -11.537198      5.258074      4.757091
  C      -9.625857      3.862912      4.742844
  C      -9.331727      4.275759      6.047261
  C      -8.250915      3.766631      6.764308
  O      -8.013103      4.237675      8.004236
  C      -7.407635      2.791384      6.150446
  C      -6.219417      2.324049      6.870826
  O      -5.970072      2.747332      8.021506
  C      -5.261100      1.317169      6.230369
  C      -7.732400      2.346372      4.856510
  C      -8.822650      2.849235      4.152503
  O      -9.027978      2.289965      2.923732
  H      -5.396020     -3.054800     -1.872968
  H      -7.168810     -2.913630     -1.728734
  H      -6.142193     -3.297938     -0.289621
  H      -6.410629      1.045177      0.250805
  H      -4.629977      2.550693      2.909020
  H      -2.308763     -0.595225      4.580971
  H      -1.108874     -0.115463      3.364190
  H      -2.457005     -1.362412      2.048169
  H      -2.906739     -2.930782      0.503834
  H     -10.047417      8.246693      6.514214
  H      -9.322744      9.684753      5.766752
  H     -10.856120      9.034637      5.119669
  H      -7.825716      8.024714      6.987424
  H      -6.235670      7.391310      8.427888
  H      -3.355580      6.017903      7.592810
  H      -4.439307      4.765116      8.168376
  H      -5.662493      4.957789      3.735150
  H      -8.526807      6.815117      2.748146
  H      -9.974131      4.562113      2.043493
  H     -11.486910      3.619799      2.288066
  H     -11.552580      5.384408      2.265210
  H      -9.963889      5.038656      6.502165
  H      -7.180966      3.748681      8.305084
  H      -5.345299      1.388491      5.139513
  H      -5.652642      0.315498      6.508998
  H      -7.135308      1.585944      4.356374
  H      -9.833986      2.648972      2.512290
  N      -1.302914      4.024185      4.972574
  N      -1.214015      5.294947      5.027714
  H      -0.607499      5.807313      4.381989
  H      -1.726782      5.849799      5.729887
96
Coordinates from ORCA-job orca E -6715.769296510703
  N      -1.272181      1.184895      5.032779
  Mo     -2.463846      2.681560      5.764952
  N      -3.874034      1.448734      6.607275
  C      -3.518600      0.950738      7.925512
  C      -2.030072      0.639924      7.933849
  N      -1.258314      1.854624      7.505774
  C       0.087641      1.502333      6.975300
  C      -0.093744      0.689326      5.705034
  C      -1.130975      2.810251      8.658508
  C      -1.478729      4.200771      8.161962
  N      -2.626512      4.016506      7.309312
  H       0.813554      0.777015      5.076810
  H      -0.196474     -0.388228      5.948327
  H       0.598712      2.450459      6.761849
  H       0.666398      0.953353      7.736493
  H      -1.700572      4.865820      9.013343
  H      -0.615098      4.636995      7.618693
  H      -1.853346      2.511030      9.427007
  H      -0.118463      2.737684      9.082341
  H      -4.077928      0.030429      8.175716
  H      -3.761210      1.689829      8.713254
  H      -1.825655     -0.165268      7.219559
  H      -1.681258      0.321547      8.929716
  C      -6.187894     -2.638216     -1.274353
  C      -6.078445     -1.162588     -0.997460
  O      -6.725704     -0.344609     -1.639307
  C      -5.192617     -0.665739      0.123542
  C      -5.546405      0.557002      0.688503
  C      -4.827425      1.122615      1.744273
  O      -5.260229      2.295870      2.247164
  C      -3.687895      0.433431      2.253649
  C      -2.963880      0.960878      3.375234
  O      -3.314536      2.075322      3.891559
  C      -1.836913      0.279316      4.073948
  C      -3.315315     -0.795835      1.657165
  C      -4.044393     -1.348421      0.616116
  O      -3.677822     -2.519533      0.018050
  C      -9.859335      8.749815      5.429527
  C      -9.108708      7.876281      4.467007
  O      -9.532320      7.733500      3.301562
  C      -7.881433      7.177955      4.889733
  C      -7.345410      7.338149      6.177287
  C      -6.207452      6.653637      6.586564
  O      -5.681781      6.814090      7.834947
  C      -5.578416      5.743021      5.691175
  C      -4.436813      4.919914      6.060455
  O      -4.042925      4.021316      5.252180
  C      -3.693192      4.974347      7.349557
  C      -6.101881      5.595523      4.394023
  C      -7.223135      6.303323      3.971596
  O      -7.668757      6.129207      2.716783
  C     -11.030150      4.523639      2.694793
  C     -10.821235      4.585073      4.191900
  O     -11.581519      5.248790      4.888359
  C      -9.659327      3.869360      4.828040
  C      -9.336764      4.283390      6.125279
  C      -8.240413      3.775196      6.818668
  O      -7.976185      4.245802      8.053523
  C      -7.412266      2.797340      6.188914
  C      -6.215122      2.325291      6.891407
  O      -5.939371      2.762463      8.030710
  C      -5.262081      1.323915      6.235008
  C      -7.760895      2.355484      4.900167
  C      -8.864579      2.860652      4.218260
  O      -9.090963      2.308770      2.990392
  H      -5.353853     -2.944991     -1.924244
  H      -7.130934     -2.825910     -1.800865
  H      -6.118521     -3.240369     -0.359965
  H      -6.416515      1.084909      0.296680
  H      -4.637508      2.553482      2.975385
  H      -2.268375     -0.630337      4.560612
  H      -1.085688     -0.092920      3.350622
  H      -2.432219     -1.323025      2.023145
  H      -2.870345     -2.857867      0.446316
  H     -10.032123      8.245722      6.390440
  H      -9.277716      9.663335      5.634074
  H     -10.817722      9.032190      4.981834
  H      -7.835717      8.008857      6.885312
  H      -6.274278      7.385504      8.358045
  H      -3.363246      6.008378      7.568099
  H      -4.440352      4.749236      8.143792
  H      -5.626519      4.904929      3.699756
  H      -8.468098      6.752929      2.641680
  H     -10.084470      4.566373      2.135563
  H     -11.573832      3.599484      2.424832
  H     -11.668898      5.363370      2.397732
  H      -9.960812      5.044229      6.594475
  H      -7.142190      3.751236      8.339376
  H      -5.347751      1.409353      5.145239
  H      -5.657117      0.320383      6.501893
  H      -7.173706      1.595738      4.387458
  H      -9.898156      2.678695      2.590792
  N      -1.280586      3.994183      4.970558
  N      -1.193301      5.264621      5.018535
  H      -0.580173      5.773460      4.376264
  H      -1.719728      5.823160      5.707986
96
Coordinates from ORCA-job orca E -6715.769587086038
  N      -1.296352      1.189874      5.021453
  Mo     -2.479125      2.686819      5.757931
  N      -3.893189      1.464290      6.609783
  C      -3.536382      0.956014      7.923179
  C      -2.049810      0.637008      7.921629
  N      -1.274795      1.850014      7.495249
  C       0.068785      1.494119      6.963395
  C      -0.116803      0.689509      5.687936
  C      -1.142363      2.801714      8.650291
  C      -1.472559      4.196456      8.153034
  N      -2.622675      4.026714      7.300611
  H       0.789270      0.780199      5.058185
  H      -0.219916     -0.389572      5.924307
  H       0.586603      2.439987      6.756768
  H       0.643465      0.936702      7.721566
  H      -1.684543      4.865661      9.003683
  H      -0.604567      4.620680      7.607627
  H      -1.872581      2.510026      9.414232
  H      -0.133255      2.716497      9.080214
  H      -4.100214      0.037404      8.170169
  H      -3.771665      1.691041      8.716906
  H      -1.853619     -0.164040      7.200187
  H      -1.696154      0.310507      8.913169
  C      -6.072728     -2.743476     -1.319644
  C      -6.021162     -1.266424     -1.036601
  O      -6.697213     -0.471633     -1.678232
  C      -5.155002     -0.738490      0.086250
  C      -5.542611      0.481138      0.634971
  C      -4.847110      1.077390      1.689875
  O      -5.315574      2.247431      2.166338
  C      -3.693037      0.419133      2.218605
  C      -2.982849      0.961116      3.344674
  O      -3.343383      2.069881      3.864516
  C      -1.847844      0.292479      4.044233
  C      -3.288413     -0.806929      1.636933
  C      -3.995497     -1.387919      0.596236
  O      -3.597150     -2.558226      0.017543
  C      -9.839211      8.794099      5.461651
  C      -9.100417      7.923249      4.488022
  O      -9.513616      7.818894      3.314670
  C      -7.881606      7.206003      4.905222
  C      -7.340278      7.362785      6.190965
  C      -6.206050      6.670900      6.597588
  O      -5.680683      6.824305      7.846604
  C      -5.582792      5.758274      5.700049
  C      -4.441262      4.932240      6.063884
  O      -4.056056      4.031070      5.254592
  C      -3.687349      4.986933      7.347857
  C      -6.114549      5.609393      4.406374
  C      -7.235334      6.320390      3.987333
  O      -7.695409      6.131136      2.740350
  C     -11.038070      4.580367      2.735137
  C     -10.842871      4.609847      4.234884
  O     -11.595820      5.278759      4.934465
  C      -9.685224      3.885344      4.868092
  C      -9.366119      4.289918      6.169260
  C      -8.268231      3.782633      6.860728
  O      -8.006167      4.253485      8.096229
  C      -7.435153      2.811624      6.223864
  C      -6.228744      2.342765      6.913474
  O      -5.955351      2.753053      8.063119
  C      -5.281387      1.349382      6.239685
  C      -7.781731      2.377365      4.932330
  C      -8.886501      2.882830      4.252324
  O      -9.107244      2.336166      3.021486
  H      -5.207748     -3.022705     -1.940929
  H      -6.992245     -2.961634     -1.874697
  H      -6.011138     -3.343838     -0.403095
  H      -6.420770      0.983060      0.227479
  H      -4.698660      2.539414      2.890557
  H      -2.262273     -0.633386      4.513279
  H      -1.086542     -0.054318      3.317759
  H      -2.397676     -1.310581      2.018178
  H      -2.785043     -2.870867      0.456337
  H     -10.051654      8.262715      6.399842
  H      -9.230069      9.677399      5.712432
  H     -10.777048      9.125276      5.004190
  H      -7.823815      8.037561      6.900036
  H      -6.271804      7.395412      8.371613
  H      -3.351018      6.020512      7.558636
  H      -4.427874      4.769441      8.150120
  H      -5.648014      4.911739      3.712932
  H      -8.506195      6.741836      2.672734
  H     -10.087616      4.655738      2.186304
  H     -11.561931      3.653116      2.438406
  H     -11.687153      5.416681      2.451512
  H      -9.991405      5.048213      6.640841
  H      -7.166972      3.765579      8.381018
  H      -5.369401      1.454607      5.151951
  H      -5.679046      0.342101      6.489320
  H      -7.188333      1.625810      4.413939
  H      -9.916371      2.701728      2.622021
  N      -1.289528      3.993559      4.959266
  N      -1.195468      5.263020      5.015214
  H      -0.574659      5.771411      4.380227
  H      -1.710346      5.818499      5.715830
96
Coordinates from ORCA-job orca E -6715.770107517767
  N      -1.303363      1.166568      5.037903
  Mo     -2.472933      2.682027      5.753705
  N      -3.900448      1.491525      6.629144
  C      -3.549605      0.986391      7.944962
  C      -2.065994      0.652498      7.943749
  N      -1.278883      1.852452      7.503658
  C       0.061622      1.475719      6.978853
  C      -0.129281      0.662227      5.709785
  C      -1.138573      2.816421      8.646868
  C      -1.435994      4.209755      8.125069
  N      -2.587212      4.050647      7.272542
  H       0.778248      0.740897      5.080294
  H      -0.241922     -0.414389      5.953966
  H       0.592418      2.413008      6.766211
  H       0.626527      0.917360      7.743653
  H      -1.633732      4.899392      8.962492
  H      -0.557457      4.602699      7.573468
  H      -1.883402      2.551543      9.406434
  H      -0.136027      2.715619      9.088980
  H      -4.121250      0.073329      8.194772
  H      -3.779525      1.724766      8.737024
  H      -1.879831     -0.156991      7.229078
  H      -1.712961      0.331951      8.937506
  C      -6.085086     -2.720006     -1.332357
  C      -6.039492     -1.247248     -1.028132
  O      -6.733542     -0.448698     -1.645598
  C      -5.165668     -0.729397      0.094095
  C      -5.545556      0.490135      0.649169
  C      -4.843568      1.079559      1.703217
  O      -5.305637      2.249274      2.188218
  C      -3.691503      0.414665      2.225503
  C      -2.975683      0.953062      3.349599
  O      -3.325300      2.068253      3.863836
  C      -1.836457      0.283290      4.039509
  C      -3.294650     -0.811429      1.639155
  C      -4.007734     -1.386057      0.598780
  O      -3.616126     -2.557378      0.017524
  C      -9.876452      8.733348      5.520765
  C      -9.128098      7.880278      4.538688
  O      -9.566368      7.739799      3.378401
  C      -7.888058      7.192166      4.938856
  C      -7.326689      7.359534      6.214429
  C      -6.180003      6.678117      6.603746
  O      -5.635368      6.837138      7.843818
  C      -5.565967      5.765995      5.699229
  C      -4.419960      4.942182      6.053570
  O      -4.041307      4.035917      5.246275
  C      -3.657142      5.002482      7.331523
  C      -6.116207      5.611072      4.413662
  C      -7.248317      6.313948      4.011892
  O      -7.727560      6.126625      2.771572
  C     -11.017091      4.559482      2.677312
  C     -10.827450      4.617733      4.176950
  O     -11.584584      5.297894      4.861264
  C      -9.682142      3.891940      4.830427
  C      -9.376230      4.306533      6.131683
  C      -8.287538      3.802330      6.839499
  O      -8.037530      4.283596      8.073513
  C      -7.448526      2.826224      6.218920
  C      -6.241565      2.372234      6.917578
  O      -5.975331      2.793519      8.064895
  C      -5.286448      1.382235      6.250537
  C      -7.784105      2.379061      4.929079
  C      -8.881016      2.880168      4.233152
  O      -9.089119      2.323786      3.004501
  H      -5.207977     -2.992229     -1.939402
  H      -6.994840     -2.931780     -1.905427
  H      -6.039192     -3.331138     -0.421686
  H      -6.423440      0.996627      0.246691
  H      -4.686674      2.534451      2.911884
  H      -2.230738     -0.663435      4.481970
  H      -1.068395     -0.029664      3.303733
  H      -2.404586     -1.319877      2.015450
  H      -2.803559     -2.873291      0.453173
  H     -10.078024      8.188141      6.453835
  H      -9.281066      9.623533      5.779331
  H     -10.821407      9.052198      5.069396
  H      -7.806259      8.029686      6.930391
  H      -6.223138      7.402967      8.378185
  H      -3.327196      6.038038      7.542364
  H      -4.391769      4.776589      8.137234
  H      -5.655841      4.915422      3.714098
  H      -8.534265      6.741907      2.715846
  H     -10.064466      4.625002      2.130789
  H     -11.539199      3.626331      2.396232
  H     -11.664581      5.390413      2.375104
  H     -10.004689      5.070504      6.589770
  H      -7.202096      3.797212      8.370990
  H      -5.365694      1.495566      5.162666
  H      -5.687232      0.373052      6.488336
  H      -7.185724      1.622832      4.423088
  H      -9.887814      2.694242      2.588848
  N      -1.267226      3.965571      4.935128
  N      -1.165537      5.234003      4.986125
  H      -0.540469      5.736739      4.350688
  H      -1.688211      5.795003      5.677487
96
Coordinates from ORCA-job orca E -6715.770463572728
  N      -1.311186      1.140633      5.056955
  Mo     -2.473807      2.667481      5.750534
  N      -3.911128      1.504868      6.648207
  C      -3.565580      1.003226      7.966508
  C      -2.084105      0.659528      7.966943
  N      -1.290343      1.850311      7.514308
  C       0.049772      1.459785      6.998832
  C      -0.141023      0.637108      5.735870
  C      -1.149054      2.826678      8.646446
  C      -1.420182      4.217068      8.102117
  N      -2.568529      4.064407      7.245394
  H       0.768186      0.707367      5.107604
  H      -0.259490     -0.437366      5.987297
  H       0.588896      2.391170      6.781317
  H       0.606684      0.903216      7.770769
  H      -1.609901      4.923272      8.927386
  H      -0.532478      4.585760      7.548768
  H      -1.908206      2.584053      9.399279
  H      -0.153984      2.715483      9.103073
  H      -4.142659      0.094129      8.218380
  H      -3.793044      1.743684      8.757435
  H      -1.904706     -0.156946      7.258584
  H      -1.730485      0.346071      8.962799
  C      -6.045325     -2.685797     -1.393206
  C      -6.031422     -1.223439     -1.041093
  O      -6.739132     -0.419771     -1.636316
  C      -5.153503     -0.719266      0.084857
  C      -5.532480      0.494227      0.654990
  C      -4.826872      1.073067      1.711828
  O      -5.284013      2.238993      2.212594
  C      -3.674919      0.403796      2.223405
  C      -2.959985      0.938908      3.348254
  O      -3.319423      2.049243      3.866497
  C      -1.817544      0.271108      4.034393
  C      -3.279320     -0.816747      1.625730
  C      -3.994150     -1.380747      0.580320
  O      -3.602369     -2.546630     -0.011803
  C      -9.861083      8.741381      5.515901
  C      -9.124602      7.876928      4.534908
  O      -9.566515      7.737165      3.375913
  C      -7.887225      7.182785      4.933057
  C      -7.318051      7.355304      6.204470
  C      -6.171818      6.671768      6.591200
  O      -5.614907      6.840952      7.824678
  C      -5.566333      5.752378      5.688545
  C      -4.417882      4.931307      6.040839
  O      -4.037671      4.023930      5.235234
  C      -3.650597      4.999979      7.315290
  C      -6.125205      5.590795      4.407466
  C      -7.257532      6.294973      4.008232
  O      -7.744142      6.102786      2.771459
  C     -11.080024      4.510347      2.707586
  C     -10.855316      4.615371      4.199729
  O     -11.594578      5.319683      4.879301
  C      -9.701207      3.901076      4.850215
  C      -9.379596      4.335525      6.141466
  C      -8.285739      3.838024      6.845769
  O      -8.021671      4.333511      8.071352
  C      -7.457655      2.849111      6.232969
  C      -6.248296      2.400969      6.930960
  O      -5.965534      2.852897      8.062384
  C      -5.296496      1.405932      6.267019
  C      -7.805846      2.384790      4.952754
  C      -8.907350      2.879868      4.259460
  O      -9.126545      2.309566      3.039303
  H      -5.146671     -2.928107     -1.980948
  H      -6.936191     -2.893555     -1.996318
  H      -6.014716     -3.323006     -0.499534
  H      -6.412140      1.003656      0.260109
  H      -4.662139      2.515615      2.934924
  H      -2.189036     -0.696790      4.447984
  H      -1.037734     -0.003780      3.294709
  H      -2.387908     -1.327934      1.994759
  H      -2.787851     -2.864403      0.418901
  H     -10.092800      8.186716      6.436670
  H      -9.244776      9.609359      5.798732
  H     -10.790253      9.092296      5.055793
  H      -7.789181      8.034008      6.917954
  H      -6.196712      7.412580      8.359413
  H      -3.334422      6.039623      7.527486
  H      -4.379588      4.761184      8.123147
  H      -5.670481      4.890230      3.709168
  H      -8.548044      6.721883      2.716004
  H     -10.140325      4.563451      2.137641
  H     -11.602699      3.566237      2.467033
  H     -11.738030      5.329015      2.395139
  H     -10.002308      5.107052      6.594816
  H      -7.184234      3.849734      8.365193
  H      -5.372685      1.521526      5.178921
  H      -5.704256      0.398557      6.501780
  H      -7.215459      1.618162      4.453223
  H      -9.923215      2.683137      2.622416
  N      -1.255034      3.931885      4.912841
  N      -1.149114      5.199215      4.960846
  H      -0.520967      5.698619      4.325711
  H      -1.657864      5.760203      5.663457
96
Coordinates from ORCA-job orca E -6715.770861537679
  N      -1.329356      1.108614      5.077778
  Mo     -2.476118      2.653301      5.746910
  N      -3.926481      1.526575      6.670573
  C      -3.586299      1.027175      7.990893
  C      -2.108153      0.669994      7.992934
  N      -1.305123      1.848328      7.524356
  C       0.032745      1.439322      7.016950
  C      -0.162732      0.604872      5.762732
  C      -1.158420      2.839015      8.642838
  C      -1.397716      4.225827      8.073523
  N      -2.542429      4.084627      7.210629
  H       0.746731      0.662019      5.133371
  H      -0.289788     -0.466255      6.024581
  H       0.581622      2.362992      6.791239
  H       0.581905      0.885376      7.796304
  H      -1.576845      4.950098      8.885273
  H      -0.499108      4.565755      7.519786
  H      -1.931944      2.623205      9.389341
  H      -0.171399      2.714863      9.113772
  H      -4.170977      0.123335      8.244612
  H      -3.809508      1.769743      8.781220
  H      -1.937949     -0.155380      7.292802
  H      -1.754049      0.365209      8.991301
  C      -5.959264     -2.664944     -1.491712
  C      -5.982432     -1.215772     -1.090558
  O      -6.716289     -0.413052     -1.654949
  C      -5.117740     -0.725100      0.052265
  C      -5.511187      0.477013      0.637459
  C      -4.818263      1.047842      1.706447
  O      -5.287413      2.204862      2.217656
  C      -3.665460      0.380992      2.218539
  C      -2.960375      0.912016      3.351364
  O      -3.329550      2.017467      3.873665
  C      -1.812197      0.250909      4.034404
  C      -3.256780     -0.829143      1.609351
  C      -3.957705     -1.384290      0.549523
  O      -3.549899     -2.539732     -0.052326
  C      -9.844026      8.746060      5.485202
  C      -9.118150      7.867351      4.509063
  O      -9.572312      7.710340      3.357089
  C      -7.881134      7.172453      4.908243
  C      -7.307764      7.354725      6.176331
  C      -6.162007      6.671986      6.565867
  O      -5.603196      6.849398      7.797422
  C      -5.558920      5.746087      5.668166
  C      -4.407846      4.929106      6.021362
  O      -4.030105      4.016718      5.220521
  C      -3.634793      5.006248      7.292032
  C      -6.122938      5.573508      4.390682
  C      -7.256588      6.274430      3.989388
  O      -7.746955      6.071980      2.755780
  C     -11.151293      4.515422      2.786318
  C     -10.908073      4.620730      4.275383
  O     -11.641848      5.322436      4.963694
  C      -9.740418      3.915292      4.911139
  C      -9.406529      4.352691      6.198363
  C      -8.301606      3.862933      6.890374
  O      -8.024586      4.363083      8.111295
  C      -7.476399      2.876318      6.270653
  C      -6.257417      2.436010      6.957014
  O      -5.969047      2.887695      8.087084
  C      -5.311826      1.437555      6.289766
  C      -7.835723      2.409005      4.994746
  C      -8.945919      2.899246      4.311742
  O      -9.174064      2.327107      3.094131
  H      -5.039258     -2.874066     -2.058369
  H      -6.829762     -2.868757     -2.124930
  H      -5.942194     -3.329780     -0.617569
  H      -6.391966      0.983827      0.241687
  H      -4.674787      2.476785      2.948716
  H      -2.159666     -0.734704      4.423798
  H      -1.023052      0.010551      3.291401
  H      -2.364171     -1.338147      1.978537
  H      -2.735859     -2.854143      0.381788
  H     -10.098422      8.188320      6.398565
  H      -9.212504      9.597320      5.783395
  H     -10.760918      9.118924      5.017883
  H      -7.776000      8.039908      6.885519
  H      -6.184331      7.424828      8.328839
  H      -3.329663      6.048948      7.504313
  H      -4.358039      4.756896      8.102491
  H      -5.670397      4.867330      3.696596
  H      -8.548390      6.694450      2.695619
  H     -10.220616      4.595162      2.204253
  H     -11.652362      3.558903      2.548644
  H     -11.833359      5.318690      2.485899
  H     -10.029097      5.120716      6.657840
  H      -7.177376      3.889528      8.392755
  H      -5.389137      1.555797      5.201820
  H      -5.725788      0.431761      6.522041
  H      -7.247838      1.643460      4.490745
  H      -9.973512      2.700800      2.682556
  N      -1.240278      3.890090      4.882033
  N      -1.126295      5.155843      4.925062
  H      -0.491513      5.649862      4.292117
  H      -1.639086      5.720701      5.622946
96
Coordinates from ORCA-job orca E -6715.771317984784
  N      -1.357812      1.072954      5.100955
  Mo     -2.479444      2.638448      5.746270
  N      -3.942925      1.554971      6.702012
  C      -3.605799      1.058234      8.024019
  C      -2.132353      0.683610      8.024477
  N      -1.319222      1.846241      7.534340
  C       0.013895      1.415687      7.031311
  C      -0.192522      0.567733      5.788217
  C      -1.161161      2.852567      8.636741
  C      -1.366501      4.234875      8.042317
  N      -2.506173      4.109811      7.171041
  H       0.714384      0.608489      5.153947
  H      -0.329484     -0.499106      6.062399
  H       0.572123      2.330589      6.793458
  H       0.557872      0.865648      7.817061
  H      -1.533601      4.976444      8.840896
  H      -0.456980      4.545613      7.489814
  H      -1.946326      2.665684      9.379263
  H      -0.181421      2.714627      9.119283
  H      -4.199859      0.161392      8.281671
  H      -3.821353      1.803973      8.813623
  H      -1.975033     -0.152562      7.334429
  H      -1.775368      0.389652      9.024947
  C      -5.861164     -2.631115     -1.608178
  C      -5.927854     -1.199734     -1.153230
  O      -6.684450     -0.399598     -1.691136
  C      -5.084603     -0.724848      0.012861
  C      -5.494369      0.466561      0.609344
  C      -4.821231      1.029493      1.694686
  O      -5.304494      2.180243      2.206366
  C      -3.671158      0.362593      2.216957
  C      -2.976976      0.884531      3.361408
  O      -3.349262      1.984270      3.893621
  C      -1.825062      0.226099      4.041119
  C      -3.249189     -0.838695      1.599944
  C      -3.929477     -1.383889      0.521333
  O      -3.504371     -2.531006     -0.084675
  C      -9.822833      8.753785      5.464693
  C      -9.105344      7.864693      4.491443
  O      -9.568205      7.696251      3.344753
  C      -7.868431      7.168834      4.890192
  C      -7.289009      7.359591      6.154007
  C      -6.142740      6.677742      6.543387
  O      -5.584411      6.857845      7.774813
  C      -5.542437      5.747346      5.648279
  C      -4.389114      4.933299      6.000453
  O      -4.019572      4.011699      5.206681
  C      -3.606510      5.020017      7.265410
  C      -6.113726      5.565154      4.375292
  C      -7.250454      6.261965      3.975436
  O      -7.751796      6.045621      2.748709
  C     -11.227529      4.476868      2.852336
  C     -10.957956      4.613026      4.334093
  O     -11.685781      5.321403      5.021848
  C      -9.778623      3.922175      4.963939
  C      -9.436223      4.372723      6.244428
  C      -8.322791      3.895550      6.931750
  O      -8.041080      4.406529      8.147161
  C      -7.496609      2.908216      6.313312
  C      -6.267236      2.480909      6.990122
  O      -5.968351      2.942807      8.113375
  C      -5.329503      1.473409      6.325916
  C      -7.863583      2.428779      5.044091
  C      -8.981702      2.907042      4.365710
  O      -9.213850      2.325176      3.153461
  H      -4.918388     -2.803621     -2.148731
  H      -6.707597     -2.828412     -2.274957
  H      -5.859447     -3.327058     -0.757945
  H      -6.371779      0.972230      0.204773
  H      -4.703850      2.450675      2.948869
  H      -2.155783     -0.770542      4.413754
  H      -1.029948      0.009514      3.296121
  H      -2.360510     -1.349138      1.976977
  H      -2.695291     -2.843681      0.359778
  H     -10.103102      8.188993      6.366635
  H      -9.178191      9.586140      5.785336
  H     -10.725563      9.150588      4.989620
  H      -7.754485      8.048555      6.861298
  H      -6.165583      7.435279      8.304032
  H      -3.308407      6.065107      7.473784
  H      -4.322005      4.764767      8.081356
  H      -5.665405      4.853119      3.684346
  H      -8.557039      6.663671      2.690537
  H     -10.309502      4.574692      2.252450
  H     -11.704298      3.502564      2.637460
  H     -11.937218      5.255957      2.552490
  H     -10.060698      5.140172      6.702308
  H      -7.188597      3.940680      8.426566
  H      -5.411955      1.581681      5.237195
  H      -5.749464      0.472147      6.568280
  H      -7.275029      1.662523      4.541850
  H     -10.016617      2.693464      2.743281
  N      -1.224391      3.839703      4.844277
  N      -1.097879      5.103282      4.883525
  H      -0.461282      5.591622      4.247813
  H      -1.599629      5.669791      5.589605
96
Coordinates from ORCA-job orca E -6715.771750831897
  N      -1.371847      1.050993      5.114627
  Mo     -2.473424      2.634672      5.739969
  N      -3.953633      1.588903      6.711012
  C      -3.626119      1.086180      8.033088
  C      -2.157262      0.694710      8.038421
  N      -1.332049      1.844830      7.539385
  C      -0.000966      1.397805      7.044588
  C      -0.210905      0.542658      5.807273
  C      -1.169332      2.859443      8.632899
  C      -1.339746      4.239523      8.021609
  N      -2.467725      4.134529      7.132383
  H       0.696588      0.571802      5.173271
  H      -0.356982     -0.521407      6.087736
  H       0.565284      2.306355      6.801535
  H       0.535557      0.849109      7.836361
  H      -1.501622      4.992298      8.810609
  H      -0.416703      4.526555      7.479252
  H      -1.967868      2.694683      9.366655
  H      -0.198928      2.707462      9.130150
  H      -4.230420      0.194565      8.285702
  H      -3.838195      1.830444      8.824968
  H      -2.007252     -0.148554      7.355555
  H      -1.804267      0.406480      9.041895
  C      -5.796566     -2.631449     -1.664659
  C      -5.893675     -1.210918     -1.182447
  O      -6.663676     -0.416322     -1.709826
  C      -5.060509     -0.738629     -0.007814
  C      -5.473239      0.453874      0.585009
  C      -4.809536      1.017742      1.675388
  O      -5.295587      2.171319      2.177675
  C      -3.665136      0.349348      2.209704
  C      -2.975738      0.870589      3.357143
  O      -3.351542      1.969130      3.890734
  C      -1.821746      0.216456      4.037365
  C      -3.241628     -0.854145      1.598332
  C      -3.912179     -1.399361      0.513490
  O      -3.484030     -2.550413     -0.083037
  C      -9.828789      8.724754      5.481729
  C      -9.116280      7.834320      4.505898
  O      -9.592686      7.653886      3.366682
  C      -7.866759      7.153717      4.893037
  C      -7.279613      7.350284      6.152281
  C      -6.125696      6.677180      6.534227
  O      -5.566131      6.855682      7.765367
  C      -5.522811      5.753064      5.634490
  C      -4.366052      4.942712      5.982297
  O      -3.998511      4.020529      5.188596
  C      -3.580017      5.027915      7.246227
  C      -6.100014      5.567421      4.364676
  C      -7.246761      6.252552      3.973549
  O      -7.756344      6.029105      2.751716
  C     -11.285058      4.482385      2.892457
  C     -11.001678      4.621345      4.371213
  O     -11.723976      5.330190      5.064153
  C      -9.809519      3.942083      4.989579
  C      -9.460529      4.396741      6.266784
  C      -8.339168      3.927954      6.946925
  O      -8.052191      4.442582      8.159665
  C      -7.511118      2.945029      6.324177
  C      -6.276126      2.524230      6.994679
  O      -5.972354      2.991846      8.114350
  C      -5.339512      1.514862      6.331239
  C      -7.882833      2.462951      5.057208
  C      -9.008664      2.932847      4.385795
  O      -9.243759      2.348182      3.175344
  H      -4.839685     -2.783159     -2.186174
  H      -6.626825     -2.827357     -2.351758
  H      -5.804876     -3.342944     -0.827255
  H      -6.346081      0.959858      0.171033
  H      -4.700319      2.445260      2.923376
  H      -2.138816     -0.789977      4.394059
  H      -1.020057      0.020432      3.293213
  H      -2.359454     -1.368638      1.985360
  H      -2.680508     -2.863011      0.371397
  H     -10.111985      8.154304      6.379633
  H      -9.182284      9.552335      5.809654
  H     -10.730687      9.126387      5.009084
  H      -7.747981      8.032310      6.864312
  H      -6.150152      7.427203      8.297839
  H      -3.294268      6.073314      7.467241
  H      -4.291152      4.750626      8.059140
  H      -5.650493      4.859115      3.670572
  H      -8.569717      6.637238      2.700814
  H     -10.374826      4.599728      2.283874
  H     -11.744892      3.499529      2.679548
  H     -12.012831      5.248004      2.601438
  H     -10.087696      5.159844      6.728334
  H      -7.193726      3.984061      8.432977
  H      -5.420913      1.620398      5.242082
  H      -5.765094      0.516086      6.574517
  H      -7.292515      1.700166      4.551650
  H     -10.049577      2.712905      2.767932
  N      -1.195531      3.806608      4.816019
  N      -1.061828      5.068397      4.862112
  H      -0.421448      5.558585      4.231533
  H      -1.561290      5.628186      5.576791
96
Coordinates from ORCA-job orca E -6715.772222974834
  N      -1.372760      1.035773      5.127541
  Mo     -2.454179      2.636816      5.733738
  N      -3.956166      1.629083      6.708556
  C      -3.644485      1.114069      8.029941
  C      -2.181041      0.703556      8.045112
  N      -1.341065      1.842484      7.545446
  C      -0.009783      1.381853      7.062738
  C      -0.217657      0.523070      5.827446
  C      -1.179634      2.860635      8.635711
  C      -1.311591      4.240316      8.014742
  N      -2.417875      4.161427      7.094785
  H       0.692491      0.544265      5.197236
  H      -0.372036     -0.539300      6.109647
  H       0.563495      2.285704      6.818685
  H       0.517449      0.833478      7.860917
  H      -1.476460      4.998878      8.797574
  H      -0.371527      4.509714      7.493540
  H      -1.993431      2.712351      9.356261
  H      -0.221097      2.694752      9.151384
  H      -4.261675      0.228177      8.271694
  H      -3.854671      1.855326      8.824650
  H      -2.035049     -0.145046      7.368088
  H      -1.837574      0.417837      9.052555
  C      -5.797703     -2.614743     -1.670402
  C      -5.900409     -1.198411     -1.176548
  O      -6.681387     -0.406426     -1.691888
  C      -5.061809     -0.728613     -0.005038
  C      -5.459672      0.472648      0.580816
  C      -4.791858      1.034726      1.669366
  O      -5.267181      2.194522      2.166957
  C      -3.656155      0.355909      2.209190
  C      -2.960362      0.874379      3.353077
  O      -3.324257      1.979739      3.882266
  C      -1.811869      0.213906      4.035931
  C      -3.248036     -0.856973      1.606016
  C      -3.923159     -1.400673      0.523159
  O      -3.509852     -2.563204     -0.061603
  C      -9.846073      8.663623      5.523727
  C      -9.128226      7.789884      4.536694
  O      -9.615839      7.605334      3.402876
  C      -7.860814      7.131767      4.905805
  C      -7.265408      7.330911      6.160737
  C      -6.098616      6.672722      6.529399
  O      -5.535525      6.847316      7.759494
  C      -5.489511      5.763012      5.619709
  C      -4.329141      4.956543      5.961974
  O      -3.960409      4.037321      5.165261
  C      -3.544703      5.035627      7.228956
  C      -6.071727      5.578555      4.352222
  C      -7.233314      6.246347      3.975116
  O      -7.750317      6.018248      2.757648
  C     -11.337345      4.443567      2.887558
  C     -11.039261      4.606460      4.360747
  O     -11.761034      5.317396      5.051785
  C      -9.833000      3.948225      4.975169
  C      -9.484582      4.414266      6.248406
  C      -8.355765      3.962523      6.927962
  O      -8.072844      4.486657      8.137517
  C      -7.517417      2.986654      6.307289
  C      -6.278897      2.576134      6.977261
  O      -5.974309      3.051046      8.093860
  C      -5.340382      1.564427      6.319360
  C      -7.885951      2.496383      5.042336
  C      -9.020505      2.947348      4.372781
  O      -9.250010      2.354179      3.165289
  H      -4.838886     -2.762486     -2.189491
  H      -6.626283     -2.807066     -2.360571
  H      -5.809146     -3.332061     -0.838165
  H      -6.326637      0.985642      0.162937
  H      -4.669830      2.464916      2.912521
  H      -2.132106     -0.794933      4.383702
  H      -1.004697      0.022430      3.296886
  H      -2.376014     -1.383848      1.999650
  H      -2.712202     -2.882793      0.398250
  H     -10.122348      8.078474      6.414808
  H      -9.208358      9.493537      5.862055
  H     -10.753746      9.061021      5.058524
  H      -7.739537      7.998803      6.882257
  H      -6.123421      7.408154      8.298938
  H      -3.272422      6.079745      7.469320
  H      -4.253425      4.730706      8.034079
  H      -5.617798      4.880524      3.650581
  H      -8.579517      6.605723      2.720214
  H     -10.436419      4.576428      2.268480
  H     -11.775415      3.447916      2.689317
  H     -12.086869      5.187797      2.596342
  H     -10.120213      5.171454      6.708171
  H      -7.208236      4.039692      8.411508
  H      -5.415790      1.665814      5.229261
  H      -5.773737      0.569281      6.563534
  H      -7.286125      1.740555      4.537068
  H     -10.063107      2.703454      2.758889
  N      -1.146371      3.780095      4.795630
  N      -1.004306      5.039579      4.859758
  H      -0.356996      5.535910      4.240981
  H      -1.502148      5.584458      5.589031
96
Coordinates from ORCA-job orca E -6715.772623771742
  N      -1.375676      1.020073      5.138715
  Mo     -2.440108      2.637778      5.725720
  N      -3.961218      1.666366      6.705143
  C      -3.664140      1.138705      8.025592
  C      -2.205350      0.712499      8.048656
  N      -1.352630      1.841909      7.549303
  C      -0.021200      1.368629      7.079603
  C      -0.226115      0.505454      5.846494
  C      -1.193814      2.864561      8.635817
  C      -1.287714      4.242055      8.003961
  N      -2.373875      4.185514      7.056656
  H       0.687229      0.520822      5.220902
  H      -0.386379     -0.555331      6.131236
  H       0.560176      2.267080      6.834771
  H       0.495898      0.820725      7.884673
  H      -1.453880      5.008312      8.778958
  H      -0.332955      4.492135      7.501054
  H      -2.022467      2.733673      9.342513
  H      -0.247785      2.686505      9.170465
  H      -4.292435      0.257922      8.256718
  H      -3.872643      1.876731      8.823162
  H      -2.062893     -0.140147      7.375967
  H      -1.870181      0.427468      9.059212
  C      -5.782304     -2.609271     -1.683814
  C      -5.896160     -1.198497     -1.175896
  O      -6.683593     -0.408233     -1.684253
  C      -5.052932     -0.729440     -0.007755
  C      -5.441967      0.477000      0.573785
  C      -4.771444      1.037888      1.660945
  O      -5.237303      2.202699      2.156245
  C      -3.641659      0.353132      2.203992
  C      -2.945788      0.871218      3.347367
  O      -3.308029      1.979377      3.872449
  C      -1.802472      0.207595      4.035273
  C      -3.240740     -0.864171      1.604913
  C      -3.918417     -1.407116      0.523137
  O      -3.511591     -2.574294     -0.056802
  C      -9.864007      8.609564      5.539047
  C      -9.138132      7.744659      4.550416
  O      -9.631015      7.546149      3.421215
  C      -7.858722      7.107027      4.911588
  C      -7.258266      7.310672      6.163390
  C      -6.081553      6.665045      6.523444
  O      -5.515015      6.840246      7.751886
  C      -5.466797      5.765814      5.606806
  C      -4.301630      4.964441      5.943607
  O      -3.931167      4.049464      5.142532
  C      -3.515828      5.040108      7.211354
  C      -6.053551      5.579329      4.341719
  C      -7.226263      6.232720      3.974520
  O      -7.748686      6.002910      2.759787
  C     -11.389638      4.440694      2.910664
  C     -11.077971      4.611488      4.379969
  O     -11.803938      5.310452      5.078778
  C      -9.859045      3.965844      4.983612
  C      -9.508765      4.430800      6.256795
  C      -8.371560      3.989471      6.928737
  O      -8.088090      4.511125      8.139208
  C      -7.526176      3.025228      6.300759
  C      -6.284008      2.621268      6.966647
  O      -5.977827      3.099881      8.081309
  C      -5.343580      1.612452      6.306892
  C      -7.894099      2.537531      5.034767
  C      -9.037266      2.977992      4.372353
  O      -9.263379      2.388567      3.162526
  H      -4.818123     -2.749104     -2.195041
  H      -6.603744     -2.797482     -2.383623
  H      -5.800042     -3.334751     -0.858894
  H      -6.305395      0.994262      0.153627
  H      -4.635533      2.471017      2.898670
  H      -2.124256     -0.804188      4.372991
  H      -0.987856      0.023490      3.302784
  H      -2.373655     -1.396763      2.001708
  H      -2.716238     -2.896667      0.405167
  H     -10.136185      8.019238      6.428136
  H      -9.234847      9.444716      5.880551
  H     -10.775426      8.999017      5.074562
  H      -7.736780      7.969427      6.890366
  H      -6.105806      7.393799      8.295700
  H      -3.255916      6.083146      7.467231
  H      -4.218785      4.710542      8.011753
  H      -5.595382      4.889609      3.634653
  H      -8.587976      6.575468      2.732202
  H     -10.498931      4.597393      2.282587
  H     -11.803250      3.434108      2.715994
  H     -12.161226      5.165289      2.627908
  H     -10.151292      5.177897      6.723435
  H      -7.220133      4.068594      8.408692
  H      -5.412244      1.720105      5.216922
  H      -5.783433      0.618169      6.543112
  H      -7.286261      1.793142      4.522060
  H     -10.084625      2.725565      2.762243
  N      -1.104015      3.752862      4.774457
  N      -0.950386      5.009275      4.854639
  H      -0.295996      5.507545      4.244654
  H      -1.438792      5.540414      5.602243
96
Coordinates from ORCA-job orca E -6715.772944876434
  N      -1.382843      1.002220      5.152556
  Mo     -2.427982      2.640124      5.717209
  N      -3.967949      1.710281      6.704597
  C      -3.686496      1.168968      8.024177
  C      -2.232289      0.727072      8.053636
  N      -1.365489      1.845169      7.553381
  C      -0.035619      1.354920      7.098311
  C      -0.239718      0.485534      5.868606
  C      -1.207205      2.873965      8.633898
  C      -1.257551      4.246607      7.987748
  N      -2.325448      4.211890      7.015978
  H       0.677212      0.493960      5.248040
  H      -0.406276     -0.573009      6.157943
  H       0.558353      2.244628      6.851960
  H       0.468418      0.806793      7.911488
  H      -1.419888      5.024412      8.751843
  H      -0.289574      4.470630      7.499521
  H      -2.051618      2.766307      9.325397
  H      -0.275653      2.682042      9.189141
  H      -4.326020      0.293607      8.243522
  H      -3.893584      1.903012      8.825255
  H      -2.095313     -0.129482      7.384801
  H      -1.904698      0.441312      9.066717
  C      -5.772908     -2.600302     -1.693292
  C      -5.894864     -1.194694     -1.172611
  O      -6.692927     -0.407268     -1.668864
  C      -5.046487     -0.727662     -0.007662
  C      -5.429246      0.481388      0.572791
  C      -4.755725      1.039562      1.659192
  O      -5.214134      2.206896      2.156690
  C      -3.630082      0.349695      2.202781
  C      -2.934796      0.867086      3.346976
  O      -3.290866      1.980162      3.865567
  C      -1.799446      0.196745      4.040733
  C      -3.234179     -0.869734      1.604723
  C      -3.914202     -1.410148      0.523019
  O      -3.511777     -2.578826     -0.056642
  C      -9.877427      8.556682      5.588224
  C      -9.146288      7.711393      4.587234
  O      -9.647104      7.511289      3.461508
  C      -7.854601      7.091194      4.932430
  C      -7.245991      7.295230      6.180303
  C      -6.059802      6.660029      6.527760
  O      -5.485151      6.833943      7.752490
  C      -5.443430      5.771499      5.601447
  C      -4.273037      4.973699      5.928391
  O      -3.903431      4.063484      5.120926
  C      -3.482729      5.045339      7.194439
  C      -6.037623      5.586570      4.339704
  C      -7.220075      6.229242      3.985193
  O      -7.748173      6.000974      2.772755
  C     -11.438006      4.402137      2.908446
  C     -11.113719      4.600969      4.371366
  O     -11.832931      5.312840      5.064078
  C      -9.885114      3.971885      4.973590
  C      -9.534980      4.445854      6.243715
  C      -8.390179      4.020769      6.912871
  O      -8.105073      4.553261      8.118330
  C      -7.537764      3.062194      6.286969
  C      -6.292176      2.670819      6.953091
  O      -5.990001      3.153731      8.066975
  C      -5.346569      1.667774      6.292643
  C      -7.903649      2.566411      5.023836
  C      -9.053378      2.992743      4.362765
  O      -9.271333      2.404083      3.151739
  H      -4.803892     -2.733240     -2.196983
  H      -6.587246     -2.783171     -2.402717
  H      -5.796655     -3.333640     -0.875381
  H      -6.290547      1.002364      0.152733
  H      -4.608819      2.470368      2.897737
  H      -2.125669     -0.816773      4.367675
  H      -0.976946      0.019105      3.315450
  H      -2.369312     -1.405461      2.001932
  H      -2.717567     -2.903925      0.405482
  H     -10.143977      7.953256      6.470156
  H      -9.254359      9.392861      5.938698
  H     -10.792998      8.943917      5.130201
  H      -7.725747      7.944731      6.914791
  H      -6.076327      7.379775      8.303695
  H      -3.233952      6.087105      7.464168
  H      -4.175674      4.691561      7.993084
  H      -5.577642      4.906208      3.624895
  H      -8.595519      6.561103      2.754998
  H     -10.553845      4.555773      2.270521
  H     -11.843414      3.388579      2.734670
  H     -12.217932      5.115288      2.619833
  H     -10.184443      5.187014      6.710266
  H      -7.231829      4.121079      8.385902
  H      -5.402855      1.789711      5.203534
  H      -5.792562      0.672155      6.512070
  H      -7.287026      1.829996      4.510211
  H     -10.096522      2.731611      2.751734
  N      -1.062676      3.719662      4.747371
  N      -0.887599      4.971713      4.837758
  H      -0.224346      5.463611      4.231768
  H      -1.386558      5.501162      5.582084
96
Coordinates from ORCA-job orca E -6715.773214309697
  N      -1.391644      0.989370      5.160561
  Mo     -2.424193      2.642352      5.705002
  N      -3.975201      1.744612      6.703644
  C      -3.704278      1.190738      8.021222
  C      -2.252458      0.741977      8.054339
  N      -1.378396      1.853106      7.551754
  C      -0.049412      1.350573      7.108960
  C      -0.252398      0.474252      5.883197
  C      -1.222376      2.888870      8.625040
  C      -1.240169      4.255635      7.964796
  N      -2.295676      4.234050      6.976868
  H       0.667129      0.478501      5.266110
  H      -0.421378     -0.582404      6.177859
  H       0.554653      2.232830      6.860731
  H       0.444359      0.803426      7.929166
  H      -1.397545      5.044745      8.718065
  H      -0.264183      4.457348      7.484462
  H      -2.079724      2.801485      9.303320
  H      -0.303280      2.687551      9.197743
  H      -4.349594      0.316957      8.228492
  H      -3.913824      1.918183      8.827550
  H      -2.118686     -0.116960      7.388109
  H      -1.928385      0.456370      9.068753
  C      -5.736453     -2.619386     -1.710006
  C      -5.871485     -1.217539     -1.182760
  O      -6.687875     -0.440406     -1.665409
  C      -5.025232     -0.746755     -0.017573
  C      -5.412938      0.461854      0.560683
  C      -4.742673      1.023332      1.647226
  O      -5.204608      2.190395      2.143338
  C      -3.617267      0.336659      2.195010
  C      -2.927738      0.858546      3.341356
  O      -3.283885      1.974771      3.852453
  C      -1.796792      0.187502      4.042430
  C      -3.216837     -0.882715      1.600123
  C      -3.892204     -1.425594      0.516642
  O      -3.484969     -2.593792     -0.060389
  C      -9.889792      8.523026      5.608290
  C      -9.153942      7.693818      4.597808
  O      -9.654204      7.503421      3.469905
  C      -7.858000      7.078766      4.936158
  C      -7.251783      7.274092      6.186650
  C      -6.062532      6.642296      6.529696
  O      -5.490810      6.806541      7.756959
  C      -5.439687      5.766489      5.595344
  C      -4.264404      4.972523      5.914881
  O      -3.890986      4.070852      5.099388
  C      -3.471340      5.038857      7.179832
  C      -6.031692      5.590243      4.331274
  C      -7.217454      6.229333      3.981318
  O      -7.741567      6.009766      2.765737
  C     -11.464928      4.436764      2.936374
  C     -11.140384      4.619485      4.401411
  O     -11.868941      5.309844      5.106000
  C      -9.905600      3.993326      4.994845
  C      -9.561205      4.451402      6.272497
  C      -8.411874      4.029604      6.935629
  O      -8.131838      4.549310      8.147950
  C      -7.550144      3.087740      6.297272
  C      -6.300418      2.699781      6.958100
  O      -5.998452      3.175450      8.075079
  C      -5.351123      1.710011      6.283937
  C      -7.911002      2.605177      5.027898
  C      -9.063433      3.031453      4.370885
  O      -9.272990      2.459836      3.150806
  H      -4.763361     -2.742402     -2.208057
  H      -6.544916     -2.804324     -2.425518
  H      -5.759218     -3.357051     -0.895706
  H      -6.275072      0.979729      0.138588
  H      -4.601802      2.454131      2.886182
  H      -2.120969     -0.829295      4.358757
  H      -0.966461      0.019994      3.323164
  H      -2.350991     -1.414653      2.000147
  H      -2.691420     -2.916304      0.404677
  H     -10.159903      7.906671      6.479979
  H      -9.268049      9.354118      5.972869
  H     -10.803708      8.916397      5.152108
  H      -7.736158      7.913784      6.926640
  H      -6.085833      7.343369      8.312904
  H      -3.239575      6.079781      7.466089
  H      -4.151737      4.655272      7.975540
  H      -5.566177      4.920618      3.609921
  H      -8.592329      6.564645      2.751566
  H     -10.585344      4.618199      2.299044
  H     -11.849928      3.417866      2.748158
  H     -12.258622      5.139482      2.660110
  H     -10.218828      5.178347      6.749923
  H      -7.254853      4.121841      8.410614
  H      -5.401259      1.855690      5.197459
  H      -5.797785      0.709529      6.479722
  H      -7.286725      1.882382      4.504356
  H     -10.100173      2.786141      2.754026
  N      -1.038858      3.691904      4.715718
  N      -0.842377      4.939946      4.806412
  H      -0.175087      5.420045      4.195099
  H      -1.317404      5.467897      5.569405
96
Coordinates from ORCA-job orca E -6715.773362414250
  N      -1.404633      0.974764      5.170022
  Mo     -2.422241      2.644104      5.694604
  N      -3.982389      1.779771      6.707567
  C      -3.721521      1.214063      8.022789
  C      -2.272459      0.758278      8.058955
  N      -1.391031      1.860924      7.551345
  C      -0.064414      1.343332      7.119666
  C      -0.268649      0.460243      5.897869
  C      -1.234475      2.904693      8.615466
  C      -1.218467      4.263825      7.938596
  N      -2.265349      4.255457      6.938896
  H       0.652666      0.460112      5.283068
  H      -0.439966     -0.594455      6.197693
  H       0.551616      2.216553      6.869370
  H       0.418496      0.796353      7.946572
  H      -1.364956      5.066620      8.679384
  H      -0.236413      4.438180      7.461603
  H      -2.104129      2.840872      9.280778
  H      -0.328516      2.692966      9.205279
  H      -4.372564      0.341815      8.217639
  H      -3.933911      1.934538      8.834399
  H      -2.143722     -0.103980      7.396301
  H      -1.950628      0.474258      9.074575
  C      -5.684485     -2.641560     -1.734958
  C      -5.844975     -1.247017     -1.196032
  O      -6.664212     -0.475465     -1.682899
  C      -5.003559     -0.768718     -0.029853
  C      -5.396864      0.441433      0.541404
  C      -4.731751      1.009485      1.627719
  O      -5.195476      2.181340      2.111661
  C      -3.608842      0.325872      2.185840
  C      -2.927674      0.851190      3.336701
  O      -3.289715      1.965473      3.847276
  C      -1.801892      0.177397      4.045994
  C      -3.203035     -0.894774      1.597587
  C      -3.871205     -1.442259      0.511975
  O      -3.458381     -2.611493     -0.058889
  C      -9.897959      8.498658      5.630281
  C      -9.154575      7.686988      4.611094
  O      -9.651171      7.505797      3.479996
  C      -7.857737      7.072311      4.946190
  C      -7.254534      7.256425      6.199806
  C      -6.063880      6.625193      6.538526
  O      -5.496261      6.776673      7.769207
  C      -5.435584      5.762256      5.595525
  C      -4.256376      4.970496      5.906214
  O      -3.881365      4.077403      5.081931
  C      -3.458498      5.029665      7.168673
  C      -6.025768      5.596207      4.329093
  C      -7.213759      6.234002      3.984343
  O      -7.737352      6.023535      2.766864
  C     -11.489446      4.466542      2.961984
  C     -11.164847      4.636156      4.428740
  O     -11.903833      5.305257      5.142827
  C      -9.925823      4.012377      5.016653
  C      -9.586243      4.459578      6.299544
  C      -8.433621      4.041034      6.959015
  O      -8.158210      4.552802      8.175870
  C      -7.564838      3.110588      6.312834
  C      -6.309951      2.727998      6.968571
  O      -6.007610      3.197770      8.087721
  C      -5.355960      1.752641      6.280584
  C      -7.922237      2.636026      5.039644
  C      -9.075984      3.062256      4.384638
  O      -9.280654      2.500213      3.159643
  H      -4.701500     -2.748054     -2.217230
  H      -6.478479     -2.828969     -2.465769
  H      -5.711279     -3.387083     -0.927904
  H      -6.258019      0.955819      0.113263
  H      -4.594873      2.451534      2.854134
  H      -2.125015     -0.842373      4.351421
  H      -0.964969      0.018666      3.331666
  H      -2.337487     -1.422424      2.003922
  H      -2.666964     -2.931069      0.411752
  H     -10.169217      7.869673      6.492297
  H      -9.279951      9.326723      6.007563
  H     -10.811304      8.895261      5.175616
  H      -7.742582      7.886784      6.945226
  H      -6.095126      7.303884      8.330262
  H      -3.244752      6.068844      7.473399
  H      -4.123177      4.612829      7.960978
  H      -5.556595      4.935674      3.601550
  H      -8.590469      6.574616      2.757873
  H     -10.614496      4.671206      2.324905
  H     -11.857536      3.443568      2.762417
  H     -12.294292      5.160407      2.695831
  H     -10.249814      5.176401      6.784027
  H      -7.278086      4.130084      8.436122
  H      -5.400442      1.924087      5.197681
  H      -5.801939      0.746950      6.450020
  H      -7.293822      1.920771      4.510700
  H     -10.108045      2.827614      2.764183
  N      -1.021688      3.662066      4.681937
  N      -0.801159      4.905921      4.763164
  H      -0.130268      5.369510      4.142846
  H      -1.305918      5.453439      5.494863
96
Coordinates from ORCA-job orca E -6715.773437108946
  N      -1.429551      0.953404      5.186463
  Mo     -2.425579      2.640956      5.689062
  N      -3.993811      1.816522      6.722613
  C      -3.742597      1.248163      8.038394
  C      -2.297900      0.780120      8.078027
  N      -1.406538      1.867762      7.555948
  C      -0.085318      1.329196      7.132892
  C      -0.296299      0.437494      5.917832
  C      -1.240439      2.924630      8.604123
  C      -1.186593      4.270902      7.901520
  N      -2.230989      4.275771      6.898067
  H       0.624414      0.427601      5.302015
  H      -0.473455     -0.613990      6.225178
  H       0.543854      2.191321      6.877192
  H       0.387346      0.783309      7.966508
  H      -1.310338      5.092704      8.625436
  H      -0.200754      4.406715      7.420861
  H      -2.120099      2.892962      9.258991
  H      -0.347625      2.701374      9.209653
  H      -4.401177      0.380110      8.227563
  H      -3.954919      1.966909      8.851300
  H      -2.179251     -0.090033      7.423987
  H      -1.976024      0.504185      9.095748
  C      -5.609951     -2.641068     -1.794817
  C      -5.800245     -1.259401     -1.233710
  O      -6.629955     -0.495234     -1.714596
  C      -4.975257     -0.783051     -0.054112
  C      -5.380796      0.423816      0.515868
  C      -4.730561      0.993411      1.610355
  O      -5.203962      2.165571      2.084205
  C      -3.611743      0.312377      2.182028
  C      -2.941997      0.836285      3.340846
  O      -3.309193      1.947791      3.853804
  C      -1.816537      0.163383      4.053551
  C      -3.195075     -0.905428      1.595943
  C      -3.847027     -1.452589      0.500337
  O      -3.421487     -2.619238     -0.066751
  C      -9.893690      8.488165      5.667066
  C      -9.157404      7.677183      4.641770
  O      -9.667692      7.484883      3.518745
  C      -7.854433      7.068610      4.965352
  C      -7.239973      7.257811      6.212711
  C      -6.045660      6.629243      6.542734
  O      -5.471815      6.779633      7.770717
  C      -5.422890      5.766844      5.595420
  C      -4.241614      4.975246      5.896586
  O      -3.874660      4.081463      5.069824
  C      -3.432075      5.031458      7.151896
  C      -6.024020      5.596378      4.334757
  C      -7.217709      6.228828      4.000076
  O      -7.754606      6.010418      2.789662
  C     -11.529651      4.452511      2.981663
  C     -11.196445      4.636775      4.444706
  O     -11.916628      5.336000      5.149040
  C      -9.954940      4.018523      5.032605
  C      -9.609869      4.478127      6.309583
  C      -8.453641      4.066802      6.967387
  O      -8.169830      4.595032      8.175442
  C      -7.587463      3.130399      6.326393
  C      -6.325690      2.761230      6.978075
  O      -6.029039      3.228012      8.099604
  C      -5.365043      1.794105      6.287146
  C      -7.949989      2.643948      5.059029
  C      -9.106278      3.064289      4.404876
  O      -9.313744      2.495398      3.183413
  H      -4.614283     -2.727954     -2.254477
  H      -6.385225     -2.825171     -2.546147
  H      -5.645838     -3.400920     -1.001539
  H      -6.238896      0.935155      0.078132
  H      -4.614077      2.440610      2.833706
  H      -2.128805     -0.862838      4.346136
  H      -0.975172      0.020771      3.339959
  H      -2.332165     -1.430495      2.011399
  H      -2.634969     -2.935984      0.413853
  H     -10.158307      7.855935      6.528905
  H      -9.273684      9.315264      6.042465
  H     -10.810602      8.884871      5.219697
  H      -7.724228      7.886888      6.961613
  H      -6.069510      7.303199      8.336425
  H      -3.228475      6.069116      7.467334
  H      -4.081720      4.592042      7.944516
  H      -5.560525      4.933409      3.605526
  H      -8.608561      6.560712      2.786390
  H     -10.655630      4.638538      2.337371
  H     -11.911174      3.431542      2.797778
  H     -12.326879      5.153073      2.710191
  H     -10.271035      5.199979      6.789859
  H      -7.283070      4.184111      8.431272
  H      -5.402905      1.979835      5.206249
  H      -5.811088      0.785565      6.438431
  H      -7.324583      1.922785      4.534487
  H     -10.136667      2.829587      2.784012
  N      -1.013330      3.622843      4.650551
  N      -0.772283      4.863142      4.715220
  H      -0.105372      5.309691      4.078348
  H      -1.230083      5.416066      5.474427
96
Coordinates from ORCA-job orca E -6715.773516259736
  N      -1.436287      0.945310      5.191173
  Mo     -2.438186      2.629138      5.689026
  N      -3.999574      1.803033      6.732189
  C      -3.742176      1.239468      8.048514
  C      -2.295372      0.778197      8.086223
  N      -1.411406      1.868268      7.556561
  C      -0.088426      1.334241      7.133062
  C      -0.297587      0.437961      5.920899
  C      -1.248177      2.931700      8.599132
  C      -1.195781      4.272951      7.886920
  N      -2.245282      4.271856      6.889852
  H       0.620794      0.431794      5.301755
  H      -0.467639     -0.613755      6.231136
  H       0.536578      2.198413      6.874038
  H       0.387730      0.792967      7.967677
  H      -1.312263      5.101129      8.605012
  H      -0.212714      4.401640      7.398545
  H      -2.128847      2.902105      9.253022
  H      -0.356148      2.713593      9.207635
  H      -4.396296      0.368635      8.241196
  H      -3.956442      1.958983      8.860148
  H      -2.174710     -0.094178      7.435276
  H      -1.968205      0.509007      9.103943
  C      -5.553978     -2.637190     -1.840879
  C      -5.758152     -1.263029     -1.266650
  O      -6.602776     -0.506700     -1.733737
  C      -4.947289     -0.793999     -0.074238
  C      -5.365777      0.404661      0.504071
  C      -4.727538      0.968993      1.608266
  O      -5.214330      2.131242      2.092337
  C      -3.607337      0.292015      2.180499
  C      -2.945582      0.816601      3.342693
  O      -3.313750      1.930275      3.849276
  C      -1.816899      0.152248      4.057638
  C      -3.179477     -0.919113      1.588792
  C      -3.819805     -1.461528      0.483901
  O      -3.382846     -2.621436     -0.088671
  C      -9.889500      8.509919      5.628156
  C      -9.163492      7.678647      4.611649
  O      -9.670792      7.491515      3.486534
  C      -7.864608      7.062702      4.940281
  C      -7.249069      7.258880      6.186129
  C      -6.057950      6.626962      6.521512
  O      -5.484070      6.784323      7.748758
  C      -5.439019      5.754345      5.581324
  C      -4.258894      4.963077      5.887348
  O      -3.894611      4.061982      5.067414
  C      -3.446262      5.029492      7.140063
  C      -6.040917      5.576267      4.322171
  C      -7.231730      6.211343      3.982096
  O      -7.769035      5.984536      2.773551
  C     -11.529037      4.505018      3.035768
  C     -11.187223      4.682828      4.497562
  O     -11.894523      5.391408      5.205781
  C      -9.952666      4.045973      5.078959
  C      -9.603321      4.487934      6.360924
  C      -8.452310      4.056035      7.014676
  O      -8.167422      4.560168      8.232790
  C      -7.593452      3.121987      6.361430
  C      -6.331220      2.742405      7.005993
  O      -6.024454      3.209273      8.124533
  C      -5.373577      1.779955      6.304064
  C      -7.960097      2.653812      5.088260
  C      -9.113600      3.090633      4.440209
  O      -9.326874      2.538207      3.211777
  H      -4.555591     -2.711504     -2.296820
  H      -6.325125     -2.820712     -2.596539
  H      -5.586611     -3.405265     -1.055347
  H      -6.224672      0.913403      0.064781
  H      -4.634497      2.400829      2.851466
  H      -2.121620     -0.875769      4.351911
  H      -0.974302      0.014227      3.344572
  H      -2.316399     -1.442182      2.006393
  H      -2.598169     -2.937129      0.395604
  H     -10.166334      7.886835      6.493015
  H      -9.258202      9.329714      6.000774
  H     -10.798852      8.917581      5.175319
  H      -7.730248      7.896497      6.929873
  H      -6.079939      7.314486      8.310185
  H      -3.244113      6.069912      7.447407
  H      -4.093128      4.594386      7.937245
  H      -5.580120      4.905286      3.598716
  H      -8.620228      6.539869      2.764848
  H     -10.655672      4.681197      2.387922
  H     -11.924118      3.489237      2.851885
  H     -12.318665      5.215909      2.769012
  H     -10.258065      5.209877      6.849699
  H      -7.288666      4.131786      8.486631
  H      -5.418578      1.970836      5.224201
  H      -5.816734      0.769848      6.452247
  H      -7.340527      1.934083      4.554751
  H     -10.145049      2.887245      2.815145
  N      -1.037580      3.613834      4.642125
  N      -0.801994      4.855980      4.694367
  H      -0.138467      5.300245      4.052447
  H      -1.269116      5.417737      5.440906
96
Coordinates from ORCA-job orca E -6715.773564091493
  N      -1.435748      0.944071      5.191687
  Mo     -2.438007      2.629397      5.688066
  N      -3.999143      1.805315      6.731880
  C      -3.742828      1.239223      8.047776
  C      -2.295516      0.778896      8.086119
  N      -1.412087      1.869031      7.555861
  C      -0.088927      1.334688      7.134378
  C      -0.297145      0.437707      5.922270
  C      -1.250628      2.934033      8.598189
  C      -1.192726      4.272608      7.884033
  N      -2.242804      4.274266      6.887681
  H       0.621452      0.433143      5.303567
  H      -0.465774     -0.614176      6.232323
  H       0.536855      2.198295      6.875318
  H       0.385920      0.793882      7.969987
  H      -1.302868      5.103893      8.599679
  H      -0.210647      4.394502      7.392262
  H      -2.133472      2.905224      9.249000
  H      -0.361070      2.716383      9.210519
  H      -4.396648      0.367743      8.237768
  H      -3.958340      1.958012      8.859530
  H      -2.173699     -0.094681      7.436721
  H      -1.968492      0.511564      9.104427
  C      -5.575352     -2.634987     -1.824403
  C      -5.774636     -1.258314     -1.253819
  O      -6.619037     -0.501271     -1.719945
  C      -4.957485     -0.788248     -0.066734
  C      -5.368977      0.413100      0.510836
  C      -4.723408      0.976524      1.611262
  O      -5.201027      2.141997      2.096670
  C      -3.604450      0.295948      2.179801
  C      -2.940433      0.819921      3.340412
  O      -3.309164      1.933148      3.847465
  C      -1.815980      0.152270      4.057352
  C      -3.182401     -0.917363      1.587979
  C      -3.829435     -1.458863      0.486635
  O      -3.399752     -2.620645     -0.087628
  C      -9.883717      8.524072      5.664773
  C      -9.159946      7.699792      4.641117
  O      -9.667363      7.525597      3.513946
  C      -7.862834      7.077238      4.963428
  C      -7.246152      7.259747      6.210745
  C      -6.056288      6.621985      6.539097
  O      -5.479130      6.768189      7.766135
  C      -5.440262      5.756517      5.590739
  C      -4.261055      4.961606      5.891594
  O      -3.896060      4.063668      5.067431
  C      -3.448327      5.024797      7.144291
  C      -6.043386      5.591381      4.330295
  C      -7.232654      6.233320      3.996810
  O      -7.769076      6.022435      2.785063
  C     -11.514398      4.463142      2.992247
  C     -11.178962      4.659565      4.453246
  O     -11.904980      5.355172      5.155312
  C      -9.947813      4.029008      5.049699
  C      -9.600208      4.492676      6.324717
  C      -8.449710      4.072609      6.987496
  O      -8.165970      4.599512      8.196135
  C      -7.590215      3.127290      6.351396
  C      -6.328718      2.754613      7.000809
  O      -6.017598      3.235379      8.112216
  C      -5.373556      1.786464      6.303872
  C      -7.956628      2.635870      5.087219
  C      -9.110044      3.059518      4.430872
  O      -9.326572      2.476312      3.217344
  H      -4.581740     -2.709751     -2.290705
  H      -6.353275     -2.821400     -2.572470
  H      -5.600233     -3.400515     -1.036244
  H      -6.227700      0.924907      0.074678
  H      -4.612896      2.411476      2.848984
  H      -2.128220     -0.873772      4.352129
  H      -0.971853      0.009375      3.347787
  H      -2.319840     -1.443064      2.003160
  H      -2.614318     -2.939681      0.393265
  H     -10.152782      7.899379      6.530603
  H      -9.253146      9.346422      6.033778
  H     -10.797123      8.929463      5.218196
  H      -7.724550      7.892412      6.960520
  H      -6.072103      7.295611      8.333145
  H      -3.250880      6.063958      7.458427
  H      -4.091057      4.579773      7.939206
  H      -5.583462      4.927978      3.599548
  H      -8.616310      6.583391      2.780562
  H     -10.643654      4.651053      2.344377
  H     -11.889837      3.438642      2.816251
  H     -12.316485      5.157090      2.718199
  H     -10.254150      5.224858      6.799009
  H      -7.287368      4.176220      8.458653
  H      -5.417319      1.975466      5.223564
  H      -5.819668      0.778103      6.454183
  H      -7.337256      1.905542      4.567886
  H     -10.149044      2.810008      2.816809
  N      -1.040033      3.613803      4.638637
  N      -0.801099      4.855467      4.686595
  H      -0.139937      5.296251      4.039838
  H      -1.270222      5.421227      5.429149
96
Coordinates from ORCA-job orca E -6715.773617879707
  N      -1.439103      0.935691      5.196590
  Mo     -2.437397      2.624592      5.687077
  N      -4.001732      1.806119      6.730062
  C      -3.748786      1.241906      8.047248
  C      -2.302601      0.778580      8.090198
  N      -1.416298      1.865404      7.558024
  C      -0.093364      1.328109      7.139138
  C      -0.301292      0.429687      5.928416
  C      -1.253962      2.933241      8.597153
  C      -1.190623      4.268584      7.877860
  N      -2.240892      4.272461      6.882394
  H       0.617243      0.422859      5.309652
  H      -0.471460     -0.621688      6.239642
  H       0.533542      2.190803      6.879770
  H       0.379568      0.787986      7.976248
  H      -1.294025      5.103702      8.589994
  H      -0.208273      4.381387      7.384242
  H      -2.138783      2.908674      9.245582
  H      -0.366610      2.714589      9.212471
  H      -4.404442      0.371636      8.237122
  H      -3.964946      1.962007      8.857749
  H      -2.180471     -0.097670      7.444512
  H      -1.978147      0.515465      9.110358
  C      -5.543072     -2.629631     -1.849053
  C      -5.753709     -1.258804     -1.268551
  O      -6.589438     -0.497525     -1.743405
  C      -4.942849     -0.790779     -0.076211
  C      -5.356059      0.410531      0.500124
  C      -4.716864      0.972753      1.604949
  O      -5.198450      2.137254      2.088206
  C      -3.600898      0.291285      2.178991
  C      -2.939042      0.813879      3.341237
  O      -3.311884      1.925122      3.851102
  C      -1.815139      0.146595      4.059261
  C      -3.177816     -0.922638      1.589083
  C      -3.819089     -1.463077      0.483920
  O      -3.387682     -2.625892     -0.087031
  C      -9.895291      8.496886      5.638652
  C      -9.159680      7.682490      4.615581
  O      -9.667389      7.494686      3.490820
  C      -7.861942      7.064455      4.943838
  C      -7.248739      7.252624      6.191927
  C      -6.057509      6.619524      6.524791
  O      -5.485749      6.768978      7.753935
  C      -5.436075      5.754296      5.579612
  C      -4.256918      4.961114      5.884433
  O      -3.891977      4.061211      5.062901
  C      -3.445894      5.023476      7.138727
  C      -6.036132      5.583723      4.318363
  C      -7.227350      6.219622      3.981189
  O      -7.763381      5.999703      2.770774
  C     -11.540458      4.487076      3.039638
  C     -11.192838      4.680692      4.498162
  O     -11.911639      5.376586      5.207396
  C      -9.954923      4.051466      5.081414
  C      -9.598926      4.509273      6.355974
  C      -8.443807      4.086260      7.008948
  O      -8.151349      4.609366      8.217095
  C      -7.589035      3.143054      6.363094
  C      -6.325912      2.763156      7.005144
  O      -6.013940      3.229471      8.122581
  C      -5.376560      1.792489      6.303693
  C      -7.961942      2.660526      5.097164
  C      -9.118842      3.088592      4.450040
  O      -9.340197      2.517285      3.231610
  H      -4.543563     -2.698716     -2.303427
  H      -6.311754     -2.811719     -2.607682
  H      -5.576486     -3.401882     -1.067825
  H      -6.212149      0.923025      0.059630
  H      -4.615899      2.406902      2.844853
  H      -2.124702     -0.880858      4.352169
  H      -0.970266      0.006361      3.350024
  H      -2.319014     -1.450933      2.008917
  H      -2.606008     -2.946035      0.399204
  H     -10.157169      7.867296      6.503289
  H      -9.276506      9.326946      6.009967
  H     -10.813494      8.890539      5.191392
  H      -7.731206      7.885259      6.939093
  H      -6.082788      7.295035      8.317937
  H      -3.249111      6.061556      7.455718
  H      -4.091079      4.575932      7.930562
  H      -5.573103      4.918947      3.590774
  H      -8.615394      6.553234      2.765289
  H     -10.673934      4.671302      2.385127
  H     -11.922463      3.464690      2.865225
  H     -12.341994      5.184509      2.772784
  H     -10.250307      5.238450      6.838410
  H      -7.268350      4.188754      8.469739
  H      -5.422678      1.981647      5.223475
  H      -5.826351      0.785777      6.454633
  H      -7.345364      1.933640      4.569681
  H     -10.159291      2.862368      2.833718
  N      -1.039853      3.606117      4.638040
  N      -0.805839      4.848785      4.680432
  H      -0.144976      5.290259      4.033965
  H      -1.272725      5.414933      5.423951
96
Coordinates from ORCA-job orca E -6715.773593331792
  N      -1.448729      0.928513      5.206336
  Mo     -2.436741      2.625473      5.689196
  N      -4.002426      1.820711      6.741516
  C      -3.751374      1.258320      8.060019
  C      -2.306403      0.791575      8.103672
  N      -1.416659      1.870774      7.562258
  C      -0.097164      1.324092      7.144532
  C      -0.310641      0.421988      5.937398
  C      -1.247424      2.944692      8.593594
  C      -1.169964      4.272561      7.862507
  N      -2.222744      4.283397      6.869478
  H       0.606315      0.411164      5.316277
  H      -0.482698     -0.628129      6.251962
  H       0.534747      2.181934      6.881373
  H       0.373084      0.784695      7.983652
  H      -1.257700      5.116193      8.566624
  H      -0.188591      4.365754      7.363086
  H      -2.134482      2.933038      9.239384
  H      -0.363955      2.722138      9.213310
  H      -4.408270      0.388893      8.249565
  H      -3.967672      1.979265      8.869543
  H      -2.187900     -0.089642      7.464298
  H      -1.981005      0.535016      9.125176
  C      -5.545262     -2.611204     -1.857988
  C      -5.757642     -1.243746     -1.270102
  O      -6.592602     -0.480390     -1.743031
  C      -4.947594     -0.779867     -0.075332
  C      -5.358163      0.422259      0.501091
  C      -4.720176      0.981540      1.608119
  O      -5.198849      2.147829      2.089860
  C      -3.608042      0.295845      2.184921
  C      -2.946405      0.815166      3.349213
  O      -3.318211      1.926315      3.860949
  C      -1.821876      0.145337      4.064478
  C      -3.187140     -0.918612      1.594533
  C      -3.827130     -1.456046      0.487184
  O      -3.397209     -2.619624     -0.083257
  C      -9.873822      8.524620      5.649882
  C      -9.150824      7.691715      4.632885
  O      -9.667087      7.492512      3.513959
  C      -7.851738      7.074869      4.957508
  C      -7.227318      7.274963      6.198180
  C      -6.035863      6.640543      6.528475
  O      -5.454240      6.800768      7.751711
  C      -5.424912      5.763789      5.586647
  C      -4.246982      4.967772      5.888237
  O      -3.889128      4.065926      5.066165
  C      -3.429004      5.028408      7.138382
  C      -6.035718      5.582744      4.332051
  C      -7.228223      6.217887      3.998772
  O      -7.775959      5.986473      2.795697
  C     -11.541849      4.457507      3.015415
  C     -11.212032      4.633858      4.480276
  O     -11.930962      5.334197      5.185083
  C      -9.971487      4.013277      5.067195
  C      -9.625716      4.471349      6.344267
  C      -8.470488      4.056731      7.001945
  O      -8.189619      4.576810      8.214059
  C      -7.603578      3.123934      6.358174
  C      -6.338581      2.759488      7.005497
  O      -6.034568      3.236722      8.120507
  C      -5.376043      1.796863      6.310649
  C      -7.966365      2.639389      5.089985
  C      -9.123904      3.058746      4.437901
  O      -9.334479      2.487549      3.217571
  H      -4.543228     -2.679162     -2.306847
  H      -6.309905     -2.787491     -2.622095
  H      -5.584727     -3.388235     -1.081871
  H      -6.211412      0.937940      0.058813
  H      -4.616744      2.416140      2.847205
  H      -2.129243     -0.884357      4.351028
  H      -0.976364      0.010956      3.354647
  H      -2.331083     -1.450288      2.015718
  H      -2.618126     -2.942359      0.405431
  H     -10.128504      7.909525      6.527035
  H      -9.249171      9.358901      6.001430
  H     -10.795415      8.913661      5.205516
  H      -7.701543      7.917198      6.942370
  H      -6.045501      7.334290      8.314834
  H      -3.233782      6.064996      7.460284
  H      -4.067726      4.572150      7.930691
  H      -5.580706      4.908974      3.607465
  H      -8.626456      6.542166      2.791904
  H     -10.667384      4.648310      2.373307
  H     -11.922991      3.437736      2.824893
  H     -12.339509      5.158810      2.746956
  H     -10.286450      5.192754      6.825705
  H      -7.307358      4.158464      8.472382
  H      -5.419249      1.983746      5.229942
  H      -5.818094      0.786541      6.460712
  H      -7.340297      1.919742      4.563887
  H     -10.152056      2.829965      2.814259
  N      -1.040973      3.593715      4.626757
  N      -0.802027      4.835379      4.657682
  H      -0.143354      5.269602      4.004017
  H      -1.258495      5.407004      5.404157
96
Coordinates from ORCA-job orca E -6715.773671060627
  N      -1.448135      0.930807      5.201136
  Mo     -2.440209      2.624198      5.686449
  N      -4.004930      1.815047      6.736264
  C      -3.753741      1.249290      8.053472
  C      -2.307929      0.784538      8.095923
  N      -1.420343      1.867622      7.558547
  C      -0.098935      1.325492      7.141598
  C      -0.308898      0.425800      5.931802
  C      -1.255443      2.939434      8.593336
  C      -1.179554      4.268996      7.865883
  N      -2.231780      4.280354      6.872452
  H       0.608580      0.419279      5.311376
  H      -0.477808     -0.625534      6.243767
  H       0.531680      2.185206      6.881538
  H       0.371244      0.785046      7.980096
  H      -1.268209      5.111071      8.571948
  H      -0.198625      4.365088      7.366137
  H      -2.143687      2.923345      9.237373
  H      -0.372778      2.717818      9.214485
  H      -4.410043      0.379037      8.241055
  H      -3.970436      1.968642      8.864263
  H      -2.187596     -0.094197      7.453371
  H      -1.982280      0.524893      9.116586
  C      -5.520301     -2.636752     -1.862707
  C      -5.738316     -1.268042     -1.279939
  O      -6.584496     -0.514278     -1.748338
  C      -4.933216     -0.798324     -0.084249
  C      -5.353123      0.400965      0.491324
  C      -4.720330      0.965225      1.598841
  O      -5.207559      2.128249      2.079711
  C      -3.603631      0.287434      2.176905
  C      -2.946116      0.811186      3.341579
  O      -3.321220      1.921844      3.850980
  C      -1.819507      0.146559      4.058610
  C      -3.173612     -0.924270      1.587416
  C      -3.808710     -1.466593      0.479638
  O      -3.370231     -2.627234     -0.090171
  C      -9.883118      8.518791      5.656585
  C      -9.161103      7.687436      4.637499
  O      -9.672640      7.500250      3.514338
  C      -7.862000      7.069849      4.960614
  C      -7.241219      7.262436      6.204257
  C      -6.049672      6.627776      6.533449
  O      -5.471261      6.781191      7.758972
  C      -5.435256      5.757479      5.588070
  C      -4.256008      4.962738      5.888446
  O      -3.896082      4.062733      5.065125
  C      -3.439642      5.023904      7.139586
  C      -6.042683      5.583252      4.330898
  C      -7.234431      6.220246      3.997779
  O      -7.776437      5.998708      2.790295
  C     -11.547120      4.477297      3.033285
  C     -11.200080      4.674354      4.491512
  O     -11.910325      5.384868      5.194852
  C      -9.963558      4.044952      5.077369
  C      -9.609117      4.504617      6.351709
  C      -8.454964      4.082498      7.006656
  O      -8.164621      4.604426      8.215950
  C      -7.598194      3.140727      6.362493
  C      -6.334042      2.767781      7.006423
  O      -6.025121      3.241202      8.121585
  C      -5.379237      1.800584      6.307306
  C      -7.969696      2.655111      5.097300
  C      -9.126826      3.080803      4.448673
  O      -9.347045      2.506598      3.231554
  H      -4.519567     -2.700334     -2.315112
  H      -6.286466     -2.820508     -2.623497
  H      -5.552097     -3.411023     -1.083436
  H      -6.209176      0.910647      0.047501
  H      -4.626768      2.401321      2.836969
  H      -2.126193     -0.883082      4.346258
  H      -0.972313      0.012653      3.350799
  H      -2.314334     -1.449555      2.010038
  H      -2.589319     -2.944416      0.399237
  H     -10.140053      7.902230      6.531889
  H      -9.256575      9.350530      6.011049
  H     -10.803234      8.911595      5.212512
  H      -7.718158      7.899428      6.951290
  H      -6.064277      7.310899      8.323846
  H      -3.245520      6.061149      7.460488
  H      -4.077989      4.568234      7.932340
  H      -5.584521      4.915059      3.603190
  H      -8.625233      6.557090      2.785737
  H     -10.678464      4.653493      2.379245
  H     -11.935543      3.456798      2.862394
  H     -12.343584      5.179047      2.762567
  H     -10.261439      5.234028      6.832516
  H      -7.284359      4.180720      8.471755
  H      -5.422272      1.991521      5.227398
  H      -5.827019      0.792440      6.454902
  H      -7.351144      1.929174      4.571029
  H     -10.165420      2.851051      2.831590
  N      -1.047516      3.598001      4.627548
  N      -0.808580      4.839972      4.658275
  H      -0.149450      5.273545      4.004687
  H      -1.264757      5.411842      5.404647
96
Coordinates from ORCA-job orca E -6715.773686391100
  N      -1.447028      0.928579      5.202873
  Mo     -2.439599      2.622578      5.686277
  N      -4.004160      1.812685      6.736089
  C      -3.751969      1.250040      8.054489
  C      -2.306071      0.785602      8.097832
  N      -1.418769      1.868106      7.559014
  C      -0.097408      1.325739      7.142165
  C      -0.307751      0.424490      5.933782
  C      -1.253445      2.941294      8.592557
  C      -1.179844      4.269789      7.863544
  N      -2.233955      4.279552      6.872490
  H       0.609445      0.416810      5.312976
  H      -0.476897     -0.626394      6.247309
  H       0.532708      2.185421      6.880770
  H       0.373266      0.786455      7.981103
  H      -1.266604      5.112836      8.568677
  H      -0.199912      4.364999      7.361506
  H      -2.140909      2.924661      9.237668
  H      -0.369717      2.721264      9.212747
  H      -4.407886      0.380028      8.244413
  H      -3.968273      1.971325      8.863741
  H      -2.185152     -0.094360      7.457020
  H      -1.980681      0.528082      9.119135
  C      -5.529143     -2.628562     -1.860464
  C      -5.745155     -1.260533     -1.275252
  O      -6.586951     -0.502804     -1.745141
  C      -4.937810     -0.793778     -0.080125
  C      -5.354174      0.405691      0.497625
  C      -4.718739      0.966663      1.605247
  O      -5.203009      2.129180      2.090390
  C      -3.602884      0.285992      2.180370
  C      -2.943110      0.808844      3.343828
  O      -3.317074      1.920301      3.852512
  C      -1.817280      0.143719      4.060666
  C      -3.176312     -0.926053      1.589026
  C      -3.814207     -1.465548      0.481445
  O      -3.379542     -2.626513     -0.090612
  C      -9.888257      8.508753      5.656880
  C      -9.160096      7.689045      4.632845
  O      -9.670818      7.504787      3.508807
  C      -7.861385      7.070387      4.956182
  C      -7.243331      7.259453      6.201713
  C      -6.051894      6.624819      6.531422
  O      -5.475909      6.775009      7.758421
  C      -5.435325      5.757227      5.585154
  C      -4.256558      4.961979      5.886735
  O      -3.895891      4.061569      5.064301
  C      -3.441588      5.023257      7.138683
  C      -6.039732      5.586610      4.326003
  C      -7.230987      6.224065      3.991965
  O      -7.770344      6.004433      2.783010
  C     -11.538259      4.479778      3.028157
  C     -11.195829      4.673251      4.487935
  O     -11.914867      5.372348      5.193740
  C      -9.959533      4.044727      5.075327
  C      -9.606925      4.504389      6.350146
  C      -8.453039      4.083295      7.006354
  O      -8.164407      4.606917      8.215204
  C      -7.595195      3.141270      6.363280
  C      -6.332360      2.765689      7.008276
  O      -6.021897      3.238571      8.123404
  C      -5.379060      1.797136      6.309399
  C      -7.965152      2.655798      5.097568
  C      -9.121668      3.080963      4.447622
  O      -9.340943      2.505625      3.230852
  H      -4.528462     -2.693005     -2.312907
  H      -6.295394     -2.809518     -2.621850
  H      -5.562740     -3.404306     -1.082725
  H      -6.209870      0.917871      0.055963
  H      -4.621648      2.398087      2.848263
  H      -2.124578     -0.885734      4.348834
  H      -0.970060      0.009251      3.353170
  H      -2.317590     -1.453915      2.009535
  H      -2.598890     -2.946571      0.397338
  H     -10.140413      7.885792      6.529073
  H      -9.267620      9.343150      6.015613
  H     -10.811255      8.897397      5.215140
  H      -7.722076      7.894098      6.949609
  H      -6.070050      7.303205      8.323502
  H      -3.247697      6.060391      7.460056
  H      -4.081565      4.567777      7.930312
  H      -5.579784      4.920709      3.597456
  H      -8.620830      6.560315      2.778846
  H     -10.669478      4.665151      2.376850
  H     -11.918888      3.457230      2.851935
  H     -12.339327      5.176761      2.758689
  H     -10.260211      5.233506      6.830119
  H      -7.283046      4.185324      8.471532
  H      -5.424406      1.984647      5.228894
  H      -5.826663      0.789563      6.461282
  H      -7.345857      1.929818      4.572139
  H     -10.158663      2.850111      2.829587
  N      -1.050049      3.598171      4.628669
  N      -0.815364      4.841153      4.656581
  H      -0.157927      5.275987      4.002241
  H      -1.275406      5.413646      5.399861
96
Coordinates from ORCA-job orca E -6715.773698362104
  N      -1.447341      0.927708      5.203744
  Mo     -2.438292      2.622943      5.685506
  N      -4.003935      1.814833      6.735338
  C      -3.752799      1.251653      8.053883
  C      -2.307117      0.786672      8.097849
  N      -1.419044      1.868456      7.558908
  C      -0.097828      1.324950      7.143181
  C      -0.308074      0.423589      5.934728
  C      -1.253737      2.942157      8.592029
  C      -1.177846      4.269785      7.862106
  N      -2.231630      4.281768      6.870669
  H       0.609220      0.416086      5.314047
  H      -0.477091     -0.627332      6.248148
  H       0.533343      2.183931      6.882076
  H       0.371745      0.785436      7.982600
  H      -1.262111      5.113787      8.566466
  H      -0.198073      4.362378      7.359331
  H      -2.141966      2.926496      9.236118
  H      -0.370963      2.721634      9.213420
  H      -4.409200      0.381873      8.243029
  H      -3.969278      1.972930      8.863033
  H      -2.186191     -0.093670      7.457591
  H      -1.982318      0.529468      9.119430
  C      -5.529575     -2.631473     -1.857647
  C      -5.744966     -1.262641     -1.274042
  O      -6.587646     -0.505819     -1.743833
  C      -4.937091     -0.794546     -0.079827
  C      -5.353170      0.405602      0.496663
  C      -4.717550      0.967678      1.603631
  O      -5.201187      2.131121      2.087144
  C      -3.601824      0.287163      2.179563
  C      -2.942095      0.810227      3.343107
  O      -3.316835      1.920959      3.852768
  C      -1.816826      0.144141      4.060299
  C      -3.175354     -0.925385      1.589192
  C      -3.813382     -1.465856      0.482176
  O      -3.378961     -2.627411     -0.088774
  C      -9.890074      8.505004      5.659458
  C      -9.160488      7.686893      4.635175
  O      -9.669497      7.503830      3.510181
  C      -7.861249      7.069615      4.958428
  C      -7.243649      7.257777      6.204271
  C      -6.051930      6.623404      6.533578
  O      -5.476461      6.772492      7.760902
  C      -5.434774      5.757103      5.586436
  C      -4.255826      4.961736      5.887322
  O      -3.894978      4.062569      5.063769
  C      -3.440878      5.022049      7.139474
  C      -6.038845      5.587594      4.326975
  C      -7.230297      6.224917      3.993420
  O      -7.769456      6.007034      2.784023
  C     -11.539867      4.481462      3.027664
  C     -11.197658      4.673439      4.487685
  O     -11.913974      5.375882      5.192913
  C      -9.960826      4.045171      5.074355
  C      -9.608801      4.503525      6.349832
  C      -8.454696      4.082641      7.005731
  O      -8.166890      4.604433      8.215580
  C      -7.595674      3.142553      6.361522
  C      -6.332707      2.767681      7.006630
  O      -6.023581      3.239629      8.122529
  C      -5.378707      1.799660      6.308002
  C      -7.964866      2.658379      5.095102
  C      -9.121741      3.083227      4.445462
  O      -9.339598      2.509863      3.227585
  H      -4.529359     -2.696483     -2.311023
  H      -6.296432     -2.813179     -2.618262
  H      -5.562625     -3.406316     -1.079014
  H      -6.208720      0.917545      0.054436
  H      -4.618809      2.401256      2.843949
  H      -2.125672     -0.885181      4.347312
  H      -0.968651      0.009724      3.354018
  H      -2.316758     -1.453043      2.010214
  H      -2.598432     -2.947214      0.399547
  H     -10.138476      7.882775      6.533156
  H      -9.271620      9.342172      6.015650
  H     -10.815060      8.889939      5.218627
  H      -7.722944      7.891314      6.952726
  H      -6.070844      7.300131      8.326259
  H      -3.248516      6.058881      7.462749
  H      -4.079681      4.563777      7.930429
  H      -5.578430      4.922694      3.597760
  H      -8.619894      6.562782      2.780438
  H     -10.670343      4.665665      2.376997
  H     -11.922212      3.459729      2.850577
  H     -12.339511      5.180071      2.758186
  H     -10.262966      5.231267      6.830698
  H      -7.285921      4.182121      8.472067
  H      -5.423352      1.987180      5.227524
  H      -5.826300      0.792029      6.459791
  H      -7.344343      1.934272      4.568569
  H     -10.157668      2.853749      2.826550
  N      -1.050013      3.597391      4.627384
  N      -0.814575      4.840370      4.652475
  H      -0.157164      5.273358      3.996914
  H      -1.272788      5.413766      5.396331
96
Coordinates from ORCA-job orca E -6715.773702672275
  N      -1.453984      0.922992      5.206637
  Mo     -2.438255      2.622692      5.683414
  N      -4.007004      1.823606      6.736835
  C      -3.758134      1.262398      8.056734
  C      -2.314080      0.792483      8.101409
  N      -1.422272      1.869256      7.559011
  C      -0.103028      1.319556      7.145259
  C      -0.315700      0.417235      5.937909
  C      -1.253002      2.945511      8.588484
  C      -1.169167      4.269445      7.852823
  N      -2.224050      4.287369      6.862582
  H       0.601375      0.406833      5.316856
  H      -0.487113     -0.633023      6.252486
  H       0.532230      2.175347      6.883653
  H       0.363310      0.779268      7.985998
  H      -1.244140      5.117337      8.553613
  H      -0.189963      4.351455      7.347111
  H      -2.142584      2.936930      9.230936
  H      -0.372618      2.722115      9.212307
  H      -4.417155      0.394834      8.247021
  H      -3.972719      1.985393      8.864833
  H      -2.196344     -0.090050      7.463638
  H      -1.989818      0.537154      9.123648
  C      -5.509140     -2.640001     -1.868768
  C      -5.733781     -1.274663     -1.280694
  O      -6.581207     -0.522016     -1.748788
  C      -4.929454     -0.804349     -0.084783
  C      -5.350444      0.394664      0.490558
  C      -4.719219      0.959454      1.598607
  O      -5.208214      2.121648      2.079874
  C      -3.602319      0.282609      2.177347
  C      -2.944604      0.807802      3.341320
  O      -3.321849      1.918048      3.850439
  C      -1.816104      0.144976      4.056989
  C      -3.171189     -0.928901      1.588435
  C      -3.805027     -1.472014      0.480279
  O      -3.365644     -2.632840     -0.088207
  C      -9.884940      8.510090      5.674022
  C      -9.159883      7.689208      4.648825
  O      -9.671528      7.506236      3.525049
  C      -7.859155      7.072972      4.968516
  C      -7.237985      7.262586      6.212327
  C      -6.045838      6.627650      6.539391
  O      -5.467465      6.777477      7.765187
  C      -5.431792      5.760041      5.591360
  C      -4.252731      4.963582      5.889270
  O      -3.894239      4.065939      5.063861
  C      -3.434789      5.021247      7.139934
  C      -6.039301      5.589548      4.333738
  C      -7.231297      6.227021      4.002637
  O      -7.773605      6.008549      2.794739
  C     -11.553502      4.478770      3.030385
  C     -11.207950      4.672461      4.489354
  O     -11.923400      5.374509      5.195881
  C      -9.968799      4.046485      5.073506
  C      -9.616958      4.503842      6.349347
  C      -8.461498      4.084947      7.003815
  O      -8.173764      4.605896      8.214069
  C      -7.600766      3.147623      6.358066
  C      -6.337214      2.775274      7.003548
  O      -6.031050      3.247314      8.120246
  C      -5.381003      1.807705      6.307410
  C      -7.969246      2.664550      5.091006
  C      -9.127362      3.088003      4.442332
  O      -9.343664      2.516977      3.223197
  H      -4.505344     -2.700064     -2.314748
  H      -6.270003     -2.821162     -2.635474
  H      -5.545264     -3.418140     -1.093487
  H      -6.206619      0.903522      0.045980
  H      -4.628720      2.394695      2.837935
  H      -2.117617     -0.888413      4.336361
  H      -0.965526      0.021507      3.351355
  H      -2.311880     -1.453850      2.011435
  H      -2.585374     -2.949621      0.402509
  H     -10.128309      7.890406      6.550890
  H      -9.264968      9.348514      6.024669
  H     -10.812285      8.893202      5.236607
  H      -7.715070      7.897127      6.961325
  H      -6.060021      7.306381      8.331306
  H      -3.244559      6.057162      7.467369
  H      -4.070866      4.557383      7.929995
  H      -5.581276      4.923314      3.604124
  H      -8.623336      6.565371      2.792420
  H     -10.686100      4.666494      2.377769
  H     -11.932114      3.455506      2.854051
  H     -12.356436      5.174271      2.762710
  H     -10.272875      5.228989      6.831764
  H      -7.291744      4.184998      8.469340
  H      -5.423888      1.993017      5.226539
  H      -5.828584      0.800089      6.460445
  H      -7.347013      1.943027      4.563003
  H     -10.161230      2.861566      2.821694
  N      -1.052245      3.591447      4.623137
  N      -0.817342      4.834792      4.641934
  H      -0.159540      5.265034      3.985141
  H      -1.273775      5.409777      5.385771
96
Coordinates from ORCA-job orca E -6715.773708607311
  N      -1.448600      0.926511      5.204861
  Mo     -2.436140      2.623970      5.684357
  N      -4.003505      1.817636      6.734948
  C      -3.752396      1.255902      8.054440
  C      -2.307267      0.789472      8.097980
  N      -1.417762      1.869614      7.558319
  C      -0.097511      1.323293      7.143504
  C      -0.309055      0.421725      5.935058
  C      -1.250862      2.944098      8.590712
  C      -1.173983      4.270487      7.859462
  N      -2.229557      4.286273      6.870048
  H       0.608023      0.414076      5.314011
  H      -0.478041     -0.629152      6.248593
  H       0.535997      2.180547      6.882448
  H       0.370376      0.783051      7.983424
  H      -1.252840      5.115772      8.563113
  H      -0.195732      4.359757      7.353185
  H      -2.138705      2.929313      9.235370
  H      -0.367939      2.723318      9.211770
  H      -4.409706      0.387191      8.244947
  H      -3.967398      1.978702      8.862567
  H      -2.187479     -0.091386      7.458240
  H      -1.982747      0.532086      9.119645
  C      -5.530664     -2.637856     -1.852420
  C      -5.747292     -1.268567     -1.270344
  O      -6.591158     -0.513339     -1.740604
  C      -4.938431     -0.797616     -0.077941
  C      -5.355997      0.402346      0.497778
  C      -4.720419      0.966381      1.603774
  O      -5.205455      2.129563      2.086636
  C      -3.603117      0.287770      2.179467
  C      -2.943349      0.811830      3.342861
  O      -3.318520      1.922052      3.852879
  C      -1.816822      0.145557      4.058828
  C      -3.174777     -0.924155      1.589302
  C      -3.812857     -1.466540      0.483253
  O      -3.377005     -2.627559     -0.087464
  C      -9.889449      8.506440      5.669443
  C      -9.161139      7.689050      4.643737
  O      -9.669608      7.509220      3.518015
  C      -7.861120      7.072280      4.965253
  C      -7.242699      7.260127      6.210668
  C      -6.051012      6.625208      6.539306
  O      -5.474526      6.774619      7.765961
  C      -5.435240      5.758277      5.591756
  C      -4.256451      4.961683      5.891387
  O      -3.896068      4.064882      5.065703
  C      -3.441104      5.020610      7.143585
  C      -6.039891      5.589569      4.332565
  C      -7.230876      6.228038      3.999424
  O      -7.769971      6.012001      2.789688
  C     -11.537756      4.481303      3.018861
  C     -11.196586      4.673019      4.479114
  O     -11.912029      5.376969      5.183688
  C      -9.960784      4.043429      5.066746
  C      -9.612494      4.497479      6.344853
  C      -8.459233      4.076348      7.001843
  O      -8.174612      4.594604      8.213973
  C      -7.596993      3.140125      6.356247
  C      -6.335549      2.764827      7.004149
  O      -6.031203      3.233610      8.122713
  C      -5.378012      1.799666      6.306558
  C      -7.962531      2.659788      5.087361
  C      -9.118725      3.085099      4.436466
  O      -9.331985      2.516602      3.215670
  H      -4.530544     -2.702184     -2.306106
  H      -6.297285     -2.820838     -2.612980
  H      -5.562769     -3.411969     -1.073045
  H      -6.212747      0.912485      0.055782
  H      -4.622748      2.401045      2.842901
  H      -2.126448     -0.884323      4.342811
  H      -0.967221      0.013776      3.353881
  H      -2.314652     -1.449715      2.009799
  H      -2.595582     -2.945925      0.400379
  H     -10.125778      7.888829      6.549512
  H      -9.273626      9.350358      6.014584
  H     -10.820376      8.882494      5.233498
  H      -7.721236      7.893931      6.959363
  H      -6.067539      7.303913      8.331243
  H      -3.250907      6.057438      7.468631
  H      -4.078167      4.559551      7.934220
  H      -5.580303      4.924275      3.603094
  H      -8.619451      6.569110      2.785999
  H     -10.667365      4.666499      2.369565
  H     -11.918879      3.459345      2.840647
  H     -12.337392      5.179630      2.748685
  H     -10.269018      5.222416      6.826748
  H      -7.293750      4.172274      8.471075
  H      -5.421629      1.985444      5.225863
  H      -5.823520      0.791252      6.459913
  H      -7.339189      1.939234      4.559378
  H     -10.150810      2.858617      2.814607
  N      -1.054078      3.598572      4.628023
  N      -0.818816      4.842258      4.644978
  H      -0.162062      5.270837      3.986096
  H      -1.272834      5.417775      5.389805
96
Coordinates from ORCA-job orca E -6715.773710525344
  N      -1.447876      0.925198      5.205464
  Mo     -2.433569      2.624395      5.682766
  N      -4.002929      1.821767      6.733671
  C      -3.752702      1.261733      8.053951
  C      -2.308526      0.792414      8.098326
  N      -1.417106      1.870661      7.558113
  C      -0.097442      1.322113      7.144227
  C      -0.309863      0.419289      5.937050
  C      -1.249057      2.945717      8.589422
  C      -1.171605      4.271805      7.857284
  N      -2.226394      4.287435      6.866957
  H       0.607555      0.408867      5.316555
  H      -0.481224     -0.630806      6.252022
  H       0.536982      2.178387      6.882119
  H       0.369640      0.782380      7.984900
  H      -1.251642      5.117088      8.560763
  H      -0.192664      4.361220      7.352372
  H      -2.136564      2.932379      9.234575
  H      -0.365958      2.724676      9.210135
  H      -4.411663      0.394593      8.246015
  H      -3.966275      1.985863      8.861309
  H      -2.190275     -0.089151      7.459253
  H      -1.984737      0.535263      9.120293
  C      -5.538316     -2.636652     -1.849009
  C      -5.751049     -1.266449     -1.267672
  O      -6.595570     -0.510592     -1.735725
  C      -4.940559     -0.797036     -0.075744
  C      -5.355064      0.404123      0.499788
  C      -4.717333      0.967290      1.604923
  O      -5.199139      2.131930      2.087610
  C      -3.601303      0.286711      2.180088
  C      -2.940161      0.810749      3.342523
  O      -3.313952      1.922018      3.851321
  C      -1.814366      0.144384      4.058967
  C      -3.176140     -0.926600      1.590493
  C      -3.816184     -1.468208      0.485150
  O      -3.383340     -2.630657     -0.084994
  C      -9.896420      8.491361      5.675731
  C      -9.161902      7.684597      4.646002
  O      -9.667576      7.508948      3.518409
  C      -7.861079      7.069203      4.967095
  C      -7.245915      7.251425      6.214925
  C      -6.053226      6.617793      6.542378
  O      -5.480046      6.760981      7.771325
  C      -5.433334      5.757779      5.591295
  C      -4.253533      4.962122      5.889520
  O      -3.891755      4.066919      5.062780
  C      -3.438744      5.019317      7.142226
  C      -6.034856      5.594660      4.329841
  C      -7.226586      6.232255      3.997746
  O      -7.763046      6.021333      2.785935
  C     -11.537044      4.481975      3.014182
  C     -11.198208      4.671592      4.475233
  O     -11.916106      5.372763      5.180053
  C      -9.960387      4.045755      5.062737
  C      -9.612649      4.501837      6.340288
  C      -8.458746      4.083096      6.997818
  O      -8.175708      4.602521      8.209778
  C      -7.595324      3.146986      6.353344
  C      -6.333414      2.773006      7.001128
  O      -6.027150      3.244873      8.117933
  C      -5.377353      1.805008      6.305402
  C      -7.960309      2.664849      5.085003
  C      -9.116819      3.088085      4.433448
  O      -9.329365      2.517595      3.213398
  H      -4.538781     -2.703935     -2.303501
  H      -6.306303     -2.818495     -2.608442
  H      -5.571513     -3.409978     -1.068839
  H      -6.211057      0.915882      0.058187
  H      -4.615832      2.402090      2.843586
  H      -2.122252     -0.886242      4.341965
  H      -0.964507      0.014362      3.353899
  H      -2.316923     -1.453893      2.010670
  H      -2.602257     -2.950399      0.402493
  H     -10.132669      7.866094      6.550444
  H      -9.284946      9.335041      6.029058
  H     -10.827641      8.866926      5.240019
  H      -7.727772      7.879539      6.966287
  H      -6.075525      7.285635      8.338327
  H      -3.250325      6.055559      7.469938
  H      -4.076118      4.555565      7.931169
  H      -5.572200      4.934587      3.597650
  H      -8.614624      6.575136      2.784327
  H     -10.666663      4.671888      2.366212
  H     -11.914205      3.459021      2.833244
  H     -12.338993      5.177918      2.744709
  H     -10.270634      5.225796      6.821689
  H      -7.294621      4.181110      8.467909
  H      -5.421192      1.988162      5.224239
  H      -5.824469      0.797664      6.461320
  H      -7.336370      1.944040      4.558011
  H     -10.148580      2.858124      2.811873
  N      -1.049034      3.596862      4.628114
  N      -0.814537      4.840697      4.646648
  H      -0.155950      5.270290      3.990345
  H      -1.273600      5.415424      5.388927
96
Coordinates from ORCA-job orca E -6715.773715118406
  N      -1.448442      0.925580      5.205106
  Mo     -2.434007      2.624666      5.682836
  N      -4.003477      1.822065      6.733895
  C      -3.753295      1.262002      8.054096
  C      -2.309210      0.792463      8.098278
  N      -1.417575      1.870576      7.558110
  C      -0.098056      1.321797      7.144084
  C      -0.310591      0.419277      5.936677
  C      -1.249242      2.945444      8.589481
  C      -1.171573      4.271650      7.857373
  N      -2.226453      4.287527      6.867118
  H       0.606876      0.408865      5.316237
  H      -0.482135     -0.630871      6.251367
  H       0.536562      2.177989      6.882171
  H       0.368888      0.781789      7.984661
  H      -1.251640      5.116851      8.560948
  H      -0.192597      4.360952      7.352537
  H      -2.136648      2.932423      9.234787
  H      -0.366107      2.724118      9.210046
  H      -4.412332      0.394896      8.246140
  H      -3.966836      1.985940      8.861668
  H      -2.191326     -0.088944      7.458928
  H      -1.985274      0.534985      9.120112
  C      -5.534472     -2.638128     -1.850861
  C      -5.749344     -1.268609     -1.268766
  O      -6.593623     -0.513026     -1.737690
  C      -4.939473     -0.798432     -0.076627
  C      -5.354894      0.402674      0.498366
  C      -4.717900      0.966683      1.603518
  O      -5.200889      2.131199      2.085311
  C      -3.601602      0.286931      2.179370
  C      -2.940709      0.811398      3.341786
  O      -3.314801      1.922547      3.850687
  C      -1.814531      0.145364      4.058066
  C      -3.175701     -0.926414      1.590398
  C      -3.814973     -1.468751      0.484982
  O      -3.381195     -2.631209     -0.084456
  C      -9.891761      8.499772      5.675280
  C      -9.161489      7.686842      4.647381
  O      -9.669284      7.509051      3.521089
  C      -7.860860      7.070629      4.968016
  C      -7.243649      7.255408      6.214473
  C      -6.051272      6.621172      6.541921
  O      -5.476168      6.766922      7.769675
  C      -5.433531      5.758304      5.592038
  C      -4.253908      4.962394      5.890214
  O      -3.892555      4.067131      5.063424
  C      -3.438635      5.019591      7.142628
  C      -6.037004      5.592649      4.331855
  C      -7.228703      6.230392      3.999930
  O      -7.766900      6.017028      2.789326
  C     -11.540200      4.479661      3.016033
  C     -11.199688      4.670464      4.476550
  O     -11.918504      5.369669      5.182419
  C      -9.961905      4.044082      5.063457
  C      -9.614517      4.498602      6.341638
  C      -8.460506      4.079482      6.998673
  O      -8.177186      4.598050      8.210955
  C      -7.596834      3.144388      6.353231
  C      -6.335007      2.770349      7.001131
  O      -6.030443      3.240153      8.119225
  C      -5.377570      1.804137      6.304775
  C      -7.961279      2.663921      5.084097
  C      -9.117795      3.087724      4.432889
  O      -9.329624      2.519421      3.211668
  H      -4.534085     -2.704334     -2.303632
  H      -6.301125     -2.820155     -2.611585
  H      -5.568224     -3.411960     -1.071208
  H      -6.211060      0.913697      0.056263
  H      -4.618251      2.402343      2.841499
  H      -2.121095     -0.885847      4.340219
  H      -0.964682      0.016780      3.352634
  H      -2.316389     -1.453099      2.011160
  H      -2.600095     -2.950226      0.403478
  H     -10.128113      7.878357      6.552696
  H      -9.277199      9.342971      6.024360
  H     -10.822698      8.876361      5.239858
  H      -7.723777      7.885941      6.964915
  H      -6.070357      7.293513      8.336229
  H      -3.250164      6.055898      7.470182
  H      -4.075824      4.555886      7.931748
  H      -5.575974      4.930326      3.600651
  H      -8.617637      6.572213      2.787182
  H     -10.670860      4.670243      2.366865
  H     -11.916398      3.456172      2.836041
  H     -12.343261      5.174574      2.747228
  H     -10.272705      5.221849      6.823823
  H      -7.295408      4.177522      8.468026
  H      -5.420946      1.988561      5.223808
  H      -5.823745      0.796112      6.459070
  H      -7.337046      1.943991      4.556254
  H     -10.148734      2.860555      2.810427
  N      -1.049241      3.597050      4.628729
  N      -0.814375      4.840842      4.647429
  H      -0.155016      5.270106      3.991708
  H      -1.273198      5.415499      5.389899
96
Coordinates from ORCA-job orca E -6715.773716037069
  N      -1.448646      0.925579      5.205026
  Mo     -2.433329      2.625225      5.682513
  N      -4.003351      1.823418      6.733873
  C      -3.753136      1.263587      8.054163
  C      -2.309292      0.793314      8.098031
  N      -1.417135      1.871040      7.557862
  C      -0.097907      1.321576      7.143877
  C      -0.310972      0.418861      5.936641
  C      -1.248356      2.945877      8.589221
  C      -1.170805      4.272147      7.857184
  N      -2.225843      4.288210      6.867081
  H       0.606480      0.408008      5.316183
  H      -0.482869     -0.631153      6.251544
  H       0.537110      2.177392      6.881696
  H       0.368838      0.781539      7.984549
  H      -1.250908      5.117248      8.560910
  H      -0.191953      4.361625      7.352191
  H      -2.135404      2.932920      9.235008
  H      -0.364922      2.724557      9.209361
  H      -4.412614      0.396917      8.246665
  H      -3.966091      1.987764      8.861675
  H      -2.192105     -0.087999      7.458425
  H      -1.985254      0.535378      9.119718
  C      -5.534106     -2.639096     -1.850897
  C      -5.749560     -1.269681     -1.268787
  O      -6.593471     -0.514054     -1.738279
  C      -4.939861     -0.799172     -0.076611
  C      -5.355734      0.401827      0.498266
  C      -4.719067      0.966026      1.603530
  O      -5.202680      2.130285      2.085293
  C      -3.602652      0.286574      2.179586
  C      -2.942015      0.811162      3.342137
  O      -3.315365      1.922883      3.850246
  C      -1.815498      0.145273      4.058228
  C      -3.176269     -0.926618      1.590638
  C      -3.815198     -1.469112      0.485108
  O      -3.380892     -2.631348     -0.084380
  C      -9.892078      8.498991      5.677642
  C      -9.161671      7.687036      4.649062
  O      -9.669503      7.509788      3.522722
  C      -7.860888      7.070866      4.969319
  C      -7.243543      7.255529      6.215711
  C      -6.051028      6.621419      6.542907
  O      -5.475776      6.767205      7.770582
  C      -5.433359      5.758708      5.592815
  C      -4.253667      4.962714      5.890617
  O      -3.892303      4.067968      5.063309
  C      -3.438340      5.019609      7.143046
  C      -6.036919      5.593242      4.332663
  C      -7.228737      6.230917      4.000973
  O      -7.767025      6.017680      2.790395
  C     -11.539802      4.479600      3.014198
  C     -11.199384      4.670721      4.474702
  O     -11.917652      5.371009      5.180055
  C      -9.962083      4.043840      5.062113
  C      -9.615176      4.498135      6.340522
  C      -8.461415      4.078887      6.997912
  O      -8.178380      4.597300      8.210335
  C      -7.597455      3.144020      6.352606
  C      -6.335686      2.770319      7.000851
  O      -6.031671      3.240153      8.119053
  C      -5.377301      1.805152      6.304277
  C      -7.961519      2.663586      5.083367
  C      -9.117849      3.087410      4.431826
  O      -9.329170      2.519252      3.210451
  H      -4.533495     -2.705010     -2.303229
  H      -6.300397     -2.821321     -2.611933
  H      -5.567899     -3.412929     -1.071253
  H      -6.212048      0.912530      0.056087
  H      -4.620636      2.401394      2.841994
  H      -2.121860     -0.885901      4.340566
  H      -0.965945      0.016698      3.352378
  H      -2.316814     -1.452949      2.011544
  H      -2.599693     -2.950083      0.403578
  H     -10.126145      7.877695      6.555721
  H      -9.278278      9.343346      6.025353
  H     -10.824124      8.873995      5.243235
  H      -7.723664      7.885896      6.966296
  H      -6.069870      7.293832      8.337207
  H      -3.250331      6.055923      7.470904
  H      -4.075246      4.555359      7.932043
  H      -5.575898      4.931036      3.601328
  H      -8.617789      6.572822      2.788343
  H     -10.670348      4.669849      2.365071
  H     -11.916172      3.456142      2.834434
  H     -12.342625      5.174673      2.745104
  H     -10.273451      5.221431      6.822521
  H      -7.296688      4.176750      8.467591
  H      -5.420295      1.990263      5.223424
  H      -5.823021      0.796783      6.457694
  H      -7.337152      1.943708      4.555635
  H     -10.148671      2.859646      2.809395
  N      -1.048477      3.597118      4.629501
  N      -0.812518      4.840816      4.647372
  H      -0.152440      5.268797      3.991572
  H      -1.270857      5.416054      5.389702
96
Coordinates from ORCA-job orca E -6715.773717517885
  N      -1.447775      0.925690      5.204974
  Mo     -2.431233      2.626199      5.681834
  N      -4.002646      1.825602      6.732973
  C      -3.752778      1.266451      8.053558
  C      -2.309429      0.794753      8.097581
  N      -1.416143      1.871730      7.557640
  C      -0.097264      1.321124      7.144048
  C      -0.310897      0.418034      5.937190
  C      -1.246852      2.946424      8.589057
  C      -1.169807      4.272974      7.857364
  N      -2.224649      4.289140      6.867067
  H       0.606745      0.406002      5.317036
  H      -0.483951     -0.631661      6.252497
  H       0.538293      2.176418      6.881454
  H       0.369042      0.781151      7.984999
  H      -1.250687      5.117662      8.561528
  H      -0.190873      4.363240      7.352715
  H      -2.133325      2.933283      9.235612
  H      -0.362877      2.725207      9.208460
  H      -4.413109      0.400588      8.246839
  H      -3.964943      1.991161      8.860831
  H      -2.193202     -0.086530      7.457763
  H      -1.985640      0.536291      9.119213
  C      -5.539701     -2.639055     -1.847148
  C      -5.752710     -1.268651     -1.266492
  O      -6.595715     -0.512228     -1.736289
  C      -4.941841     -0.798210     -0.075020
  C      -5.355756      0.403927      0.498885
  C      -4.717788      0.968233      1.603363
  O      -5.199289      2.133845      2.083918
  C      -3.602278      0.287624      2.179721
  C      -2.940839      0.812156      3.341813
  O      -3.313087      1.924422      3.849511
  C      -1.814989      0.145507      4.058209
  C      -3.177864     -0.926732      1.591732
  C      -3.817925     -1.469238      0.486869
  O      -3.385463     -2.632596     -0.081759
  C      -9.893434      8.495364      5.680341
  C      -9.162409      7.685072      4.650864
  O      -9.669777      7.509000      3.524172
  C      -7.861022      7.069723      4.970584
  C      -7.244063      7.253729      6.217235
  C      -6.051090      6.620274      6.544068
  O      -5.476357      6.765304      7.772065
  C      -5.432577      5.758958      5.593272
  C      -4.252540      4.963215      5.890584
  O      -3.890487      4.069656      5.062396
  C      -3.437808      5.019165      7.143489
  C      -6.035647      5.594348      4.332776
  C      -7.227925      6.231381      4.001456
  O      -7.765687      6.018966      2.790512
  C     -11.539304      4.478079      3.010684
  C     -11.199407      4.669295      4.471296
  O     -11.918417      5.368958      5.176516
  C      -9.962051      4.042889      5.059087
  C      -9.616638      4.496105      6.338292
  C      -8.463019      4.077198      6.996182
  O      -8.181456      4.594550      8.209400
  C      -7.597654      3.143845      6.350574
  C      -6.335964      2.770652      6.999323
  O      -6.033190      3.239465      8.118272
  C      -5.376313      1.806774      6.302620
  C      -7.960240      2.664475      5.080519
  C      -9.116393      3.087969      4.428467
  O      -9.325948      2.521280      3.206069
  H      -4.539484     -2.707038     -2.300043
  H      -6.306851     -2.821162     -2.607340
  H      -5.574019     -3.411822     -1.066462
  H      -6.211473      0.915469      0.056527
  H      -4.616576      2.404956      2.840076
  H      -2.121387     -0.885651      4.340445
  H      -0.965577      0.016859      3.352122
  H      -2.319118     -1.453968      2.012945
  H      -2.604482     -2.951965      0.406128
  H     -10.123952      7.874063      6.559315
  H      -9.281188      9.341650      6.026209
  H     -10.827216      8.867647      5.247347
  H      -7.724914      7.882901      6.968354
  H      -6.070908      7.291157      8.338932
  H      -3.250995      6.055280      7.472656
  H      -4.074837      4.553391      7.931492
  H      -5.573889      4.933246      3.600909
  H      -8.616780      6.573589      2.788659
  H     -10.669971      4.669630      2.361777
  H     -11.914254      3.454166      2.830534
  H     -12.342970      5.172183      2.741613
  H     -10.275992      5.218261      6.820528
  H      -7.299491      4.174679      8.466865
  H      -5.418893      1.992464      5.221860
  H      -5.821484      0.797997      6.455121
  H      -7.334868      1.945704      4.552465
  H     -10.146084      2.860486      2.805299
  N      -1.045655      3.597546      4.631646
  N      -0.808775      4.841224      4.649085
  H      -0.146689      5.267971      3.994589
  H      -1.268225      5.416861      5.390379
96
Coordinates from ORCA-job orca E -6715.773717872403
  N      -1.446911      0.925882      5.204746
  Mo     -2.429845      2.626855      5.681327
  N      -4.002122      1.826828      6.731945
  C      -3.752708      1.267686      8.052587
  C      -2.309584      0.795303      8.096947
  N      -1.415657      1.872014      7.557403
  C      -0.096844      1.321006      7.144109
  C      -0.310561      0.417759      5.937424
  C      -1.246363      2.946482      8.589061
  C      -1.169696      4.273342      7.857830
  N      -2.224125      4.289365      6.867076
  H       0.607252      0.405076      5.317537
  H      -0.484290     -0.631772      6.252912
  H       0.538840      2.176159      6.881355
  H       0.369270      0.781112      7.985211
  H      -1.251425      5.117665      8.562325
  H      -0.190570      4.364296      7.353690
  H      -2.132616      2.932926      9.235895
  H      -0.362147      2.725359      9.208155
  H      -4.413455      0.402137      8.245891
  H      -3.964712      1.992424      8.859895
  H      -2.193644     -0.085910      7.456981
  H      -1.986105      0.536566      9.118606
  C      -5.542590     -2.638954     -1.845000
  C      -5.754271     -1.267992     -1.265183
  O      -6.596689     -0.511100     -1.735257
  C      -4.942819     -0.797614     -0.074068
  C      -5.355606      0.405145      0.499313
  C      -4.717018      0.969425      1.603463
  O      -5.197719      2.135480      2.083680
  C      -3.601957      0.288174      2.179948
  C      -2.939789      0.812711      3.341591
  O      -3.310847      1.925694      3.848682
  C      -1.814494      0.145554      4.058245
  C      -3.178764     -0.926905      1.592538
  C      -3.819432     -1.469362      0.488018
  O      -3.388077     -2.633388     -0.080107
  C      -9.894055      8.493787      5.680789
  C      -9.162318      7.684489      4.651023
  O      -9.668930      7.509221      3.523887
  C      -7.860982      7.069128      4.970925
  C      -7.244625      7.252154      6.217998
  C      -6.051540      6.618821      6.544685
  O      -5.477399      6.762861      7.773071
  C      -5.432289      5.758735      5.593278
  C      -4.251933      4.963308      5.890275
  O      -3.889048      4.070741      5.061407
  C      -3.437806      5.018476      7.143623
  C      -6.034832      5.595082      4.332381
  C      -7.227271      6.231929      4.001272
  O      -7.764599      6.020513      2.789954
  C     -11.540060      4.477066      3.009900
  C     -11.200251      4.667862      4.470596
  O     -11.919820      5.366643      5.176121
  C      -9.962335      4.042258      5.058080
  C      -9.617314      4.495191      6.337496
  C      -8.463379      4.076881      6.995243
  O      -8.182194      4.593965      8.208670
  C      -7.597392      3.144344      6.349348
  C      -6.335627      2.771441      6.998101
  O      -6.033024      3.240142      8.117138
  C      -5.375571      1.808186      6.301090
  C      -7.959468      2.665367      5.079003
  C      -9.115842      3.088349      4.427034
  O      -9.324756      2.522190      3.204258
  H      -4.542611     -2.708075     -2.298243
  H      -6.310235     -2.821030     -2.604698
  H      -5.577201     -3.411133     -1.063738
  H      -6.211005      0.917165      0.056898
  H      -4.614959      2.406355      2.839883
  H      -2.121067     -0.885471      4.340791
  H      -0.965323      0.016385      3.351918
  H      -2.320488     -1.454756      2.013941
  H      -2.607269     -2.953170      0.407792
  H     -10.123415      7.872201      6.559838
  H      -9.282684      9.340823      6.026402
  H     -10.828405      8.864992      5.248106
  H      -7.725981      7.880470      6.969505
  H      -6.072379      7.287984      8.340162
  H      -3.251851      6.054302      7.474092
  H      -4.075050      4.551261      7.930639
  H      -5.572464      4.934975      3.600014
  H      -8.615860      6.574806      2.788386
  H     -10.671052      4.669978      2.360966
  H     -11.913881      3.452835      2.829193
  H     -12.344577      5.170383      2.741342
  H     -10.277256      5.216603      6.820038
  H      -7.299893      4.174702      8.465966
  H      -5.417860      1.994703      5.220447
  H      -5.820733      0.799235      6.452576
  H      -7.333570      1.947259      4.550660
  H     -10.145398      2.860585      2.803844
  N      -1.043224      3.597873      4.633026
  N      -0.805766      4.841486      4.650839
  H      -0.142263      5.267837      3.997557
  H      -1.266583      5.417278      5.391132
