99
Coordinates from ORCA-job orca E -6258.941481493954
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  N      -1.595528      3.513913      2.447805
  H      -0.634327      3.174344      2.484622
  H      -1.921310      3.921230      1.571148
99
Coordinates from ORCA-job orca E -6258.962890341854
  N      -2.922245      1.370863      5.202822
  Mo     -3.592816      3.308672      5.132125
  N      -4.479168      3.043958      6.874769
  C      -3.620015      3.122963      8.048600
  C      -2.238654      2.549795      7.709107
  N      -1.742991      3.156557      6.451018
  C      -0.769101      2.276927      5.769065
  C      -1.517202      1.140275      5.018095
  C      -1.181392      4.504319      6.698941
  C      -1.687674      5.446306      5.593169
  N      -3.110201      5.200259      5.445621
  H      -1.242694      1.158466      3.944139
  H      -1.226760      0.151448      5.416079
  H      -0.224809      2.886219      5.039592
  H      -0.045971      1.875729      6.498520
  H      -1.467622      6.488836      5.868627
  H      -1.164165      5.227214      4.647109
  H      -1.566308      4.874200      7.657585
  H      -0.081975      4.477739      6.749372
  H      -4.036087      2.541729      8.889614
  H      -3.523445      4.173103      8.393994
  H      -2.351965      1.474061      7.539702
  H      -1.523412      2.715257      8.532154
  C      -3.891552      1.058511      4.235275
  C      -4.864700     -0.087747      4.564234
  C      -6.275062      0.152445      3.978441
  C      -6.229558      0.545041      2.525214
  N      -6.168825      1.860998      2.274673
  C      -6.087137      2.244041      0.985014
  N      -6.081964      1.476926     -0.083654
  C      -6.153026      0.128119      0.135579
  C      -6.149648     -0.750096     -0.966661
  C      -6.202175     -2.117584     -0.765438
  C      -6.256714     -2.644361      0.537664
  C      -6.264700     -1.808125      1.636516
  C      -6.219528     -0.402551      1.466602
  C      -3.965077      6.294244      5.865912
  C      -3.910157      7.540927      4.961246
  C      -4.217275      7.240484      3.490613
  C      -5.636372      6.807779      3.214203
  N      -6.526036      6.862770      4.209669
  C      -7.758531      6.384741      3.969970
  N      -8.220502      5.854701      2.855379
  C      -7.368329      5.869950      1.787829
  C      -7.824829      5.407135      0.536251
  C      -6.988088      5.443824     -0.564315
  C      -5.674094      5.929037     -0.443575
  C      -5.196556      6.376015      0.774376
  C      -6.029150      6.360967      1.916747
  C      -5.863108      2.744276      7.164131
  C      -6.724910      3.972429      7.526107
  C      -8.223315      3.653251      7.550320
  C      -8.848713      3.368351      6.204327
  N      -8.089909      3.435689      5.122109
  C      -8.649241      3.149184      3.921733
  N      -9.885886      2.767081      3.700568
  C     -10.710919      2.717250      4.786662
  C     -12.065218      2.352260      4.609203
  C     -12.916471      2.306457      5.691687
  C     -12.449189      2.618343      6.985253
  C     -11.132711      2.970487      7.189163
  C     -10.232145      3.027854      6.098522
  H      -3.495706      0.942272      3.206907
  H      -4.565684      2.000462      4.272561
  H      -4.940490     -0.183121      5.655647
  H      -4.453700     -1.024019      4.162064
  H      -6.886836     -0.748830      4.112857
  H      -6.757691      0.974541      4.523933
  H      -6.023284      3.321924      0.816470
  H      -6.102902     -0.317231     -1.964034
  H      -6.200497     -2.792405     -1.619985
  H      -6.294366     -3.723328      0.680898
  H      -6.307579     -2.228406      2.639739
  H      -5.000195      5.936955      5.868997
  H      -3.711039      6.615464      6.898355
  H      -2.914352      8.001871      5.018539
  H      -4.644104      8.262330      5.342123
  H      -4.007572      8.139095      2.887852
  H      -3.537061      6.450672      3.134697
  H      -8.456986      6.430724      4.811029
  H      -8.845109      5.034178      0.467928
  H      -7.347152      5.090653     -1.529409
  H      -5.026619      5.951203     -1.318851
  H      -4.180031      6.755462      0.853793
  H      -5.935021      2.015468      7.996833
  H      -6.310976      2.282596      6.274653
  H      -6.428638      4.345484      8.516438
  H      -6.530723      4.765448      6.793248
  H      -8.402989      2.784087      8.203126
  H      -8.765153      4.501930      7.995437
  H      -7.983480      3.221113      3.062555
  H     -12.400927      2.121911      3.599792
  H     -13.960384      2.030185      5.550702
  H     -13.137798      2.579394      7.827921
  H     -10.779676      3.211647      8.190112
  N      -2.352948      3.425720      3.451536
  N      -1.597308      3.492734      2.430860
  H      -0.639682      3.109024      2.439548
  H      -1.909813      3.931508      1.554786
99
Coordinates from ORCA-job orca E -6258.978005990412
  N      -2.927126      1.351407      5.195067
  Mo     -3.568920      3.308715      5.116525
  N      -4.470324      3.070555      6.871355
  C      -3.605943      3.155608      8.050228
  C      -2.232431      2.555589      7.726283
  N      -1.717179      3.145923      6.459330
  C      -0.756718      2.245173      5.772381
  C      -1.520332      1.118100      5.016481
  C      -1.143515      4.499617      6.697446
  C      -1.640020      5.448662      5.591396
  N      -3.066570      5.216453      5.449039
  H      -1.237566      1.140386      3.943530
  H      -1.238581      0.123637      5.412839
  H      -0.204756      2.853101      5.044804
  H      -0.035921      1.837990      6.504670
  H      -1.410777      6.490331      5.876040
  H      -1.115758      5.234529      4.641961
  H      -1.528762      4.871521      7.657507
  H      -0.041434      4.456450      6.755705
  H      -4.035878      2.588577      8.896749
  H      -3.490630      4.207838      8.391508
  H      -2.356795      1.478247      7.563722
  H      -1.515050      2.718992      8.551707
  C      -3.901936      1.048874      4.218028
  C      -4.893170     -0.084662      4.546205
  C      -6.299745      0.151703      3.948074
  C      -6.238260      0.531837      2.491492
  N      -6.179132      1.839816      2.222450
  C      -6.069949      2.205439      0.919472
  N      -6.041212      1.417557     -0.145024
  C      -6.114880      0.071727      0.102165
  C      -6.089322     -0.834688     -0.985105
  C      -6.142490     -2.200202     -0.756602
  C      -6.220531     -2.703927      0.561869
  C      -6.250656     -1.841274      1.644025
  C      -6.205553     -0.435672      1.443429
  C      -3.928244      6.299127      5.899214
  C      -3.894362      7.543458      4.995059
  C      -4.226779      7.247640      3.528668
  C      -5.649710      6.815040      3.263247
  N      -6.530231      6.861681      4.261157
  C      -7.780966      6.392030      4.020992
  N      -8.255103      5.880163      2.897103
  C      -7.401717      5.903488      1.828106
  C      -7.865503      5.458881      0.565161
  C      -7.030919      5.505869     -0.537802
  C      -5.706831      5.986011     -0.414208
  C      -5.224766      6.413746      0.811576
  C      -6.056309      6.383356      1.959471
  C      -5.865209      2.783507      7.151316
  C      -6.726928      4.013923      7.494722
  C      -8.224009      3.691015      7.521859
  C      -8.849752      3.387970      6.178810
  N      -8.091659      3.452543      5.096281
  C      -8.657836      3.152282      3.892772
  N      -9.900846      2.759222      3.672912
  C     -10.718834      2.712080      4.768747
  C     -12.076537      2.336040      4.602527
  C     -12.924317      2.292996      5.692769
  C     -12.450846      2.619242      6.986720
  C     -11.130657      2.982483      7.178366
  C     -10.235986      3.036201      6.078519
  H      -3.506882      0.936331      3.192466
  H      -4.590679      2.000501      4.235746
  H      -4.976552     -0.174407      5.639830
  H      -4.478322     -1.026644      4.151731
  H      -6.912079     -0.752154      4.088560
  H      -6.789015      0.979549      4.482214
  H      -6.004596      3.283195      0.736819
  H      -6.024692     -0.421776     -1.994945
  H      -6.123290     -2.895247     -1.600483
  H      -6.258890     -3.784094      0.727384
  H      -6.311891     -2.241647      2.658904
  H      -4.962976      5.934797      5.919655
  H      -3.666439      6.617277      6.934674
  H      -2.896166      8.010554      5.038078
  H      -4.623912      8.266000      5.394088
  H      -4.026445      8.150619      2.922237
  H      -3.550533      6.459945      3.155423
  H      -8.474230      6.430104      4.870018
  H      -8.891961      5.091110      0.494642
  H      -7.395356      5.165697     -1.510583
  H      -5.059145      6.018462     -1.294435
  H      -4.203871      6.792177      0.894093
  H      -5.943122      2.059467      7.991728
  H      -6.310258      2.310929      6.261980
  H      -6.434650      4.402389      8.484749
  H      -6.528543      4.799875      6.751338
  H      -8.405117      2.827643      8.188755
  H      -8.775349      4.541263      7.961133
  H      -7.984779      3.226343      3.031292
  H     -12.418949      2.094502      3.593145
  H     -13.971447      2.007748      5.558840
  H     -13.136494      2.582617      7.837609
  H     -10.772104      3.234509      8.179355
  N      -2.412550      3.413639      3.464428
  N      -1.668040      3.468009      2.412768
  H      -0.724468      3.049009      2.384692
  H      -1.975995      3.932491      1.548278
99
Coordinates from ORCA-job orca E -6258.991287461530
  N      -2.937951      1.336478      5.188140
  Mo     -3.549072      3.312671      5.095177
  N      -4.470991      3.103449      6.864395
  C      -3.607086      3.195264      8.046034
  C      -2.241398      2.570374      7.738387
  N      -1.705651      3.141539      6.466676
  C      -0.757816      2.221049      5.780595
  C      -1.530399      1.100853      5.019309
  C      -1.119134      4.496481      6.696843
  C      -1.600757      5.452459      5.589325
  N      -3.027529      5.239042      5.446662
  H      -1.235517      1.125476      3.948616
  H      -1.256605      0.103455      5.416141
  H      -0.196636      2.826312      5.056470
  H      -0.042924      1.808848      6.516996
  H      -1.359660      6.491061      5.882351
  H      -1.074296      5.239726      4.638956
  H      -1.506277      4.871806      7.655509
  H      -0.016788      4.434150      6.765509
  H      -4.050923      2.642816      8.896673
  H      -3.475561      4.248363      8.381785
  H      -2.376326      1.492490      7.582861
  H      -1.524352      2.732470      8.565879
  C      -3.912227      1.044952      4.200382
  C      -4.919474     -0.075282      4.526269
  C      -6.322755      0.160595      3.918314
  C      -6.255937      0.535396      2.460149
  N      -6.206573      1.837295      2.180698
  C      -6.087825      2.194988      0.870234
  N      -6.043110      1.397227     -0.191286
  C      -6.109664      0.053701      0.072546
  C      -6.069295     -0.867845     -1.006383
  C      -6.114888     -2.230636     -0.763512
  C      -6.200679     -2.723325      0.562992
  C      -6.245414     -1.847293      1.634648
  C      -6.207976     -0.442611      1.416936
  C      -3.893754      6.310738      5.917502
  C      -3.872648      7.556104      5.016522
  C      -4.212826      7.265091      3.551923
  C      -5.633173      6.825769      3.283630
  N      -6.514282      6.859653      4.275427
  C      -7.770450      6.384043      4.024761
  N      -8.237416      5.877936      2.894059
  C      -7.375372      5.912634      1.831570
  C      -7.828961      5.470036      0.560043
  C      -6.989296      5.529907     -0.537140
  C      -5.666471      6.024570     -0.404147
  C      -5.196897      6.448649      0.827877
  C      -6.034897      6.399762      1.972545
  C      -5.871891      2.826907      7.138748
  C      -6.738646      4.056597      7.461655
  C      -8.232618      3.721842      7.500208
  C      -8.867763      3.389969      6.167765
  N      -8.122038      3.449616      5.077120
  C      -8.702806      3.124762      3.881506
  N      -9.946207      2.712122      3.677769
  C     -10.747093      2.669770      4.788513
  C     -12.104087      2.273470      4.646593
  C     -12.937926      2.234621      5.749430
  C     -12.451519      2.585756      7.034977
  C     -11.131502      2.969172      7.201847
  C     -10.252977      3.018287      6.087669
  H      -3.513273      0.934732      3.177540
  H      -4.613140      2.002321      4.194226
  H      -5.010832     -0.159828      5.620258
  H      -4.502866     -1.021904      4.140174
  H      -6.934485     -0.744000      4.063675
  H      -6.815755      0.991349      4.445742
  H      -6.029938      3.273107      0.680871
  H      -5.999331     -0.465931     -2.022136
  H      -6.084038     -2.935655     -1.600829
  H      -6.233307     -3.803302      0.739815
  H      -6.312575     -2.236752      2.654759
  H      -4.926264      5.939255      5.945132
  H      -3.633472      6.626001      6.956620
  H      -2.875579      8.029991      5.055275
  H      -4.601815      8.276822      5.425383
  H      -4.018971      8.170890      2.944844
  H      -3.534636      6.482109      3.170668
  H      -8.465548      6.411314      4.872985
  H      -8.853398      5.093618      0.482459
  H      -7.345168      5.191330     -1.515483
  H      -5.014080      6.070007     -1.282140
  H      -4.180820      6.840979      0.918819
  H      -5.951208      2.111729      7.988876
  H      -6.313318      2.338999      6.254283
  H      -6.448994      4.464739      8.446347
  H      -6.543812      4.832562      6.705501
  H      -8.404811      2.868245      8.184722
  H      -8.794148      4.571180      7.932181
  H      -8.035013      3.200471      3.013120
  H     -12.458333      2.012736      3.644335
  H     -13.984362      1.933467      5.633053
  H     -13.125622      2.552328      7.897043
  H     -10.762566      3.239940      8.195747
  N      -2.482999      3.406264      3.498861
  N      -1.743391      3.444068      2.422748
  H      -0.818287      2.995570      2.373000
  H      -2.043329      3.924380      1.568899
99
Coordinates from ORCA-job orca E -6259.000555928645
  N      -2.950789      1.317632      5.181906
  Mo     -3.532348      3.310340      5.070152
  N      -4.468784      3.125384      6.859117
  C      -3.605403      3.224137      8.037240
  C      -2.246530      2.580542      7.738515
  N      -1.696093      3.133695      6.464567
  C      -0.762835      2.196884      5.779521
  C      -1.542866      1.080754      5.017269
  C      -1.097625      4.485829      6.685226
  C      -1.571618      5.447126      5.578731
  N      -2.997202      5.254010      5.439442
  H      -1.239187      1.103958      3.948295
  H      -1.272578      0.083235      5.415187
  H      -0.194778      2.798497      5.057415
  H      -0.052265      1.780029      6.516678
  H      -1.317275      6.481279      5.877776
  H      -1.046451      5.234266      4.626801
  H      -1.481881      4.865128      7.642963
  H       0.003473      4.406364      6.758910
  H      -4.056534      2.684027      8.892773
  H      -3.461153      4.277052      8.367712
  H      -2.390687      1.502995      7.589212
  H      -1.528390      2.741762      8.565002
  C      -3.923310      1.035094      4.188356
  C      -4.941429     -0.073148      4.518469
  C      -6.341086      0.157474      3.901084
  C      -6.270369      0.510624      2.438641
  N      -6.228287      1.804444      2.135706
  C      -6.098283      2.139277      0.819242
  N      -6.038022      1.324207     -0.226177
  C      -6.100032     -0.013301      0.063209
  C      -6.044797     -0.954957     -0.998451
  C      -6.084755     -2.310782     -0.731233
  C      -6.180077     -2.780861      0.603612
  C      -6.239446     -1.885813      1.656573
  C      -6.207798     -0.486477      1.412173
  C      -3.860414      6.312896      5.935269
  C      -3.856593      7.565639      5.043993
  C      -4.214172      7.288579      3.582508
  C      -5.635341      6.852515      3.318996
  N      -6.511004      6.874923      4.312672
  C      -7.772858      6.409462      4.057514
  N      -8.245082      5.925488      2.922322
  C      -7.384262      5.969239      1.859244
  C      -7.843829      5.546357      0.582657
  C      -7.008369      5.617181     -0.514766
  C      -5.682541      6.105358     -0.379709
  C      -5.209052      6.509472      0.855951
  C      -6.043425      6.445413      2.002075
  C      -5.869893      2.855647      7.131137
  C      -6.738602      4.085865      7.440555
  C      -8.229446      3.743870      7.483167
  C      -8.859865      3.399965      6.152474
  N      -8.112678      3.468669      5.063763
  C      -8.688624      3.139256      3.867032
  N      -9.925451      2.714114      3.658534
  C     -10.726397      2.659978      4.769668
  C     -12.077921      2.247819      4.625017
  C     -12.913196      2.197527      5.725329
  C     -12.434381      2.552922      7.012089
  C     -11.119764      2.951891      7.181120
  C     -10.240813      3.012134      6.069097
  H      -3.521995      0.924333      3.165672
  H      -4.632801      1.994701      4.157470
  H      -5.038055     -0.145500      5.612230
  H      -4.525402     -1.025983      4.147227
  H      -6.952364     -0.744529      4.058601
  H      -6.835344      0.995535      4.415160
  H      -6.045536      3.213424      0.612342
  H      -5.967919     -0.572103     -2.020334
  H      -6.042272     -3.030556     -1.554448
  H      -6.208368     -3.856872      0.798995
  H      -6.313989     -2.255932      2.682461
  H      -4.889429      5.934159      5.975064
  H      -3.593852      6.622486      6.975055
  H      -2.860845      8.042277      5.073835
  H      -4.579075      8.283598      5.469820
  H      -4.026396      8.198083      2.979780
  H      -3.540195      6.509745      3.186104
  H      -8.462533      6.427741      4.908931
  H      -8.869822      5.176087      0.504169
  H      -7.367510      5.293503     -1.496246
  H      -5.034042      6.161309     -1.258986
  H      -4.192830      6.899548      0.949617
  H      -5.952136      2.146695      7.986773
  H      -6.308392      2.357688      6.250747
  H      -6.450877      4.506143      8.420319
  H      -6.545992      4.855195      6.677274
  H      -8.398205      2.895417      8.174576
  H      -8.799919      4.589085      7.911081
  H      -8.017300      3.227236      3.003171
  H     -12.427685      1.984115      3.622673
  H     -13.954995      1.884101      5.606318
  H     -13.109157      2.510443      7.872198
  H     -10.756593      3.225388      8.175511
  N      -2.562843      3.403371      3.523006
  N      -1.835516      3.432556      2.422842
  H      -0.931115      2.959385      2.352277
  H      -2.139705      3.929951      1.586418
99
Coordinates from ORCA-job orca E -6259.006528193782
  N      -2.983600      1.313402      5.187292
  Mo     -3.512651      3.321927      5.036586
  N      -4.479576      3.170196      6.830373
  C      -3.631267      3.275592      8.012259
  C      -2.281953      2.601734      7.738951
  N      -1.700834      3.126332      6.469662
  C      -0.784918      2.163468      5.801952
  C      -1.576680      1.056515      5.038601
  C      -1.078551      4.466529      6.680867
  C      -1.529798      5.429788      5.567514
  N      -2.955456      5.266639      5.420330
  H      -1.257258      1.065887      3.973799
  H      -1.323523      0.058857      5.445181
  H      -0.195388      2.749029      5.084218
  H      -0.090746      1.736688      6.547649
  H      -1.256222      6.458622      5.866200
  H      -1.000281      5.205360      4.620790
  H      -1.461780      4.858716      7.632988
  H       0.018936      4.364151      6.766071
  H      -4.099525      2.754476      8.870576
  H      -3.472655      4.328778      8.333534
  H      -2.445125      1.526053      7.599241
  H      -1.570923      2.758290      8.571427
  C      -3.943005      1.044664      4.179326
  C      -4.986538     -0.038862      4.504587
  C      -6.369399      0.207806      3.858256
  C      -6.272785      0.541674      2.393572
  N      -6.226114      1.831610      2.074394
  C      -6.073248      2.150107      0.759132
  N      -5.991554      1.324312     -0.270840
  C      -6.058385     -0.009193      0.031824
  C      -5.983492     -0.960620     -1.017725
  C      -6.029306     -2.311521     -0.736950
  C      -6.151301     -2.767016      0.598936
  C      -6.230693     -1.862178      1.639654
  C      -6.192458     -0.467347      1.381218
  C      -3.803119      6.321530      5.938714
  C      -3.813712      7.580427      5.054405
  C      -4.190901      7.302519      3.599924
  C      -5.612149      6.861505      3.356051
  N      -6.476867      6.886626      4.359795
  C      -7.737251      6.419220      4.120126
  N      -8.218178      5.925994      2.996196
  C      -7.367424      5.955523      1.924919
  C      -7.834929      5.506783      0.662307
  C      -7.010387      5.563680     -0.442907
  C      -5.690662      6.067305     -0.329851
  C      -5.209315      6.495935      0.892917
  C      -6.029969      6.439622      2.047570
  C      -5.880031      2.903920      7.093117
  C      -6.756189      4.135738      7.375925
  C      -8.243751      3.783949      7.439984
  C      -8.887184      3.402469      6.126576
  N      -8.158323      3.461242      5.024700
  C      -8.746595      3.102529      3.845734
  N      -9.976269      2.657246      3.664414
  C     -10.759621      2.608937      4.787360
  C     -12.104305      2.172690      4.669837
  C     -12.921690      2.128645      5.781874
  C     -12.431009      2.514497      7.053009
  C     -11.122577      2.937534      7.195733
  C     -10.261526      2.991902      6.071343
  H      -3.529237      0.920691      3.161525
  H      -4.639518      2.013703      4.113583
  H      -5.103796     -0.094053      5.596381
  H      -4.581268     -1.004379      4.157718
  H      -6.997168     -0.681004      4.017489
  H      -6.857314      1.059565      4.354259
  H      -6.020364      3.221494      0.540381
  H      -5.887205     -0.589115     -2.040354
  H      -5.971440     -3.039254     -1.549969
  H      -6.184455     -3.839364      0.803973
  H      -6.325881     -2.220593      2.666279
  H      -4.830621      5.942019      5.992034
  H      -3.524406      6.625915      6.976037
  H      -2.818676      8.056437      5.069049
  H      -4.525888      8.299030      5.493519
  H      -4.010895      8.207018      2.989654
  H      -3.521481      6.522975      3.198659
  H      -8.416414      6.443121      4.978333
  H      -8.857354      5.127897      0.600771
  H      -7.374598      5.220047     -1.413938
  H      -5.053491      6.115859     -1.215805
  H      -4.198856      6.900574      0.969336
  H      -5.968858      2.209479      7.959522
  H      -6.310678      2.387584      6.220315
  H      -6.465403      4.582168      8.341688
  H      -6.573970      4.887328      6.593935
  H      -8.399028      2.952936      8.153395
  H      -8.818134      4.631134      7.856040
  H      -8.091554      3.183124      2.972048
  H     -12.463765      1.885553      3.679192
  H     -13.958163      1.796523      5.684023
  H     -13.091604      2.476347      7.922164
  H     -10.750282      3.233837      8.178386
  N      -2.576774      3.406172      3.493751
  N      -1.854581      3.422210      2.387148
  H      -0.981307      2.902922      2.306330
  H      -2.146058      3.950375      1.568954
99
Coordinates from ORCA-job orca E -6259.011206682619
  N      -3.003015      1.296772      5.197017
  Mo     -3.506151      3.310081      5.011805
  N      -4.477700      3.179228      6.821735
  C      -3.631372      3.294786      7.996439
  C      -2.287676      2.608074      7.729135
  N      -1.699959      3.116261      6.460424
  C      -0.797360      2.143707      5.795487
  C      -1.596126      1.038270      5.040299
  C      -1.069047      4.450232      6.658097
  C      -1.524845      5.409023      5.544236
  N      -2.950271      5.257828      5.402762
  H      -1.279530      1.039154      3.974578
  H      -1.339634      0.043263      5.449696
  H      -0.204080      2.721928      5.075401
  H      -0.103241      1.712982      6.537935
  H      -1.241414      6.436416      5.837326
  H      -0.999484      5.178065      4.597372
  H      -1.443459      4.849149      7.610363
  H       0.026944      4.341583      6.739626
  H      -4.098773      2.785611      8.862472
  H      -3.465174      4.348644      8.309932
  H      -2.459598      1.533205      7.597664
  H      -1.575399      2.765403      8.559414
  C      -3.960107      1.026953      4.191213
  C      -5.006972     -0.047322      4.531535
  C      -6.386920      0.191528      3.879376
  C      -6.293308      0.496783      2.410055
  N      -6.262478      1.781773      2.066693
  C      -6.108570      2.077077      0.750054
  N      -6.009859      1.235702     -0.259640
  C      -6.061998     -0.092741      0.063548
  C      -5.970286     -1.058080     -0.968747
  C      -6.001849     -2.403097     -0.665542
  C      -6.126236     -2.836874      0.674817
  C      -6.221957     -1.917589      1.699127
  C      -6.197761     -0.528664      1.418259
  C      -3.788036      6.297660      5.953845
  C      -3.815190      7.575475      5.092838
  C      -4.201165      7.331288      3.634850
  C      -5.622642      6.906346      3.371351
  N      -6.499104      6.912577      4.367310
  C      -7.759224      6.477262      4.097837
  N      -8.235325      6.032473      2.954950
  C      -7.372271      6.073651      1.895107
  C      -7.832463      5.669888      0.617711
  C      -6.994537      5.744263     -0.475754
  C      -5.671370      6.222265     -0.334096
  C      -5.196530      6.606900      0.904562
  C      -6.029370      6.528959      2.047306
  C      -5.871176      2.905820      7.088932
  C      -6.751762      4.135063      7.370626
  C      -8.235771      3.775354      7.443270
  C      -8.874176      3.396327      6.128790
  N      -8.144620      3.482318      5.029393
  C      -8.724062      3.143138      3.845283
  N      -9.944602      2.689996      3.653496
  C     -10.730613      2.605550      4.771785
  C     -12.066715      2.154039      4.640766
  C     -12.885716      2.076826      5.748040
  C     -12.404973      2.444033      7.025820
  C     -11.104870      2.881756      7.182097
  C     -10.241207      2.969261      6.063564
  H      -3.547795      0.891932      3.172485
  H      -4.652882      1.994843      4.098831
  H      -5.125931     -0.082197      5.623082
  H      -4.604906     -1.020786      4.207294
  H      -7.017099     -0.691185      4.055452
  H      -6.870527      1.053251      4.360437
  H      -6.069213      3.143965      0.512420
  H      -5.873128     -0.702576     -1.995102
  H      -5.931118     -3.142784     -1.464361
  H      -6.148379     -3.904517      0.896298
  H      -6.319106     -2.259341      2.729614
  H      -4.811623      5.910557      6.019949
  H      -3.495318      6.588802      6.989778
  H      -2.820366      8.049169      5.105569
  H      -4.516743      8.287930      5.554718
  H      -4.014469      8.245097      3.043259
  H      -3.535465      6.557754      3.217499
  H      -8.447332      6.487838      4.948125
  H      -8.859106      5.311422      0.534588
  H      -7.351892      5.434692     -1.458903
  H      -5.025665      6.287032     -1.210778
  H      -4.182945      6.995136      1.002745
  H      -5.958830      2.214576      7.957380
  H      -6.302029      2.382824      6.220952
  H      -6.456051      4.587933      8.330309
  H      -6.579104      4.883322      6.584380
  H      -8.384152      2.943155      8.154765
  H      -8.814713      4.615762      7.863932
  H      -8.071323      3.251849      2.975318
  H     -12.418753      1.882368      3.644943
  H     -13.915654      1.733083      5.640506
  H     -13.067024      2.379856      7.890236
  H     -10.740371      3.163145      8.170212
  N      -2.617294      3.404546      3.435201
  N      -1.922728      3.425347      2.315030
  H      -1.075040      2.873597      2.208412
  H      -2.226236      3.983707      1.522807
99
Coordinates from ORCA-job orca E -6259.014468004310
  N      -3.027154      1.299368      5.200626
  Mo     -3.481879      3.318646      4.975178
  N      -4.480077      3.217724      6.784830
  C      -3.649715      3.333878      7.966137
  C      -2.316642      2.620731      7.723431
  N      -1.702667      3.107170      6.461429
  C      -0.812996      2.115920      5.810950
  C      -1.621447      1.021815      5.053205
  C      -1.049520      4.429635      6.652024
  C      -1.485705      5.386589      5.528702
  N      -2.911992      5.258855      5.379893
  H      -1.297476      1.012313      3.989870
  H      -1.378979      0.025094      5.467741
  H      -0.200720      2.678963      5.094680
  H      -0.132667      1.673875      6.559929
  H      -1.184434      6.411431      5.814460
  H      -0.959139      5.139065      4.587035
  H      -1.420579      4.841952      7.600187
  H       0.043823      4.304637      6.740207
  H      -4.132988      2.843043      8.834437
  H      -3.468448      4.387612      8.272539
  H      -2.507807      1.548433      7.598389
  H      -1.612694      2.771017      8.562231
  C      -3.971389      1.037483      4.182796
  C      -5.041009     -0.015098      4.516216
  C      -6.398519      0.244525      3.828552
  C      -6.263487      0.531876      2.359333
  N      -6.212126      1.813674      2.004092
  C      -6.024033      2.095147      0.690013
  N      -5.902513      1.243023     -0.306582
  C      -5.972569     -0.082175      0.026269
  C      -5.859192     -1.056762     -0.994055
  C      -5.910772     -2.398616     -0.678914
  C      -6.077912     -2.818130      0.660601
  C      -6.195568     -1.889127      1.673621
  C      -6.150255     -0.503468      1.381215
  C      -3.733692      6.292700      5.961141
  C      -3.782741      7.576033      5.108550
  C      -4.206025      7.323425      3.664184
  C      -5.632665      6.893679      3.449427
  N      -6.477779      6.916295      4.473050
  C      -7.743391      6.477708      4.251700
  N      -8.254176      6.008761      3.133971
  C      -7.421480      6.015443      2.049264
  C      -7.913938      5.562626      0.801781
  C      -7.105075      5.598232     -0.315756
  C      -5.782795      6.088428     -0.228246
  C      -5.275482      6.520903      0.981496
  C      -6.075465      6.479479      2.148958
  C      -5.875210      2.949228      7.035909
  C      -6.754182      4.186703      7.290778
  C      -8.239634      3.835774      7.374210
  C      -8.885810      3.430112      6.071491
  N      -8.164155      3.492433      4.964386
  C      -8.751834      3.130252      3.792609
  N      -9.974233      2.676941      3.619596
  C     -10.752795      2.612983      4.743941
  C     -12.088873      2.158449      4.631185
  C     -12.898953      2.101418      5.746214
  C     -12.408177      2.492279      7.012437
  C     -11.107490      2.933234      7.151128
  C     -10.252219      3.000710      6.024815
  H      -3.545256      0.885229      3.171623
  H      -4.644828      2.011686      4.056476
  H      -5.185420     -0.030595      5.605122
  H      -4.650760     -1.001394      4.218176
  H      -7.053582     -0.621313      3.998873
  H      -6.872105      1.122588      4.289126
  H      -5.972627      3.160215      0.443139
  H      -5.730165     -0.711489     -2.020118
  H      -5.823406     -3.146600     -1.468041
  H      -6.115919     -3.883371      0.890611
  H      -6.325915     -2.220109      2.703884
  H      -4.755314      5.903627      6.048957
  H      -3.417287      6.577938      6.991336
  H      -2.787056      8.047983      5.093604
  H      -4.469348      8.289916      5.589258
  H      -4.034841      8.229310      3.056296
  H      -3.551469      6.544075      3.239619
  H      -8.405979      6.509338      5.121929
  H      -8.940477      5.197331      0.759859
  H      -7.486750      5.250333     -1.276524
  H      -5.162430      6.124850     -1.124509
  H      -4.262071      6.917558      1.036884
  H      -5.979755      2.269361      7.911607
  H      -6.299108      2.416200      6.170368
  H      -6.454140      4.660592      8.238656
  H      -6.580406      4.916133      6.487411
  H      -8.389967      3.021477      8.105482
  H      -8.813362      4.687536      7.778610
  H      -8.106134      3.211704      2.915194
  H     -12.448185      1.867959      3.643539
  H     -13.929272      1.755175      5.653335
  H     -13.063418      2.443738      7.882879
  H     -10.735223      3.232773      8.130847
  N      -2.597347      3.404208      3.383673
  N      -1.904547      3.415724      2.267436
  H      -1.089483      2.817123      2.153803
  H      -2.189600      4.003554      1.489117
99
Coordinates from ORCA-job orca E -6259.015756779309
  N      -3.073172      1.304544      5.205796
  Mo     -3.472113      3.336651      4.943330
  N      -4.513090      3.269871      6.739110
  C      -3.701323      3.380959      7.934135
  C      -2.375381      2.629782      7.724221
  N      -1.723574      3.092316      6.467609
  C      -0.845709      2.072888      5.838271
  C      -1.670320      0.993346      5.074804
  C      -1.039469      4.400618      6.655845
  C      -1.438693      5.358625      5.517525
  N      -2.868984      5.266858      5.351929
  H      -1.334530      0.972295      4.014634
  H      -1.454890     -0.008469      5.496323
  H      -0.206180      2.616526      5.127112
  H      -0.186671      1.616011      6.599881
  H      -1.111528      6.380305      5.792499
  H      -0.907992      5.085389      4.584980
  H      -1.410819      4.830762      7.596852
  H       0.052036      4.249448      6.756029
  H      -4.211219      2.910686      8.802580
  H      -3.501318      4.435773      8.231094
  H      -2.591871      1.559646      7.606215
  H      -1.683383      2.768558      8.575608
  C      -4.007995      1.058114      4.172907
  C      -5.112996      0.034327      4.496986
  C      -6.448099      0.317894      3.766872
  C      -6.266028      0.576055      2.292338
  N      -6.201825      1.851503      1.909961
  C      -5.977614      2.104047      0.590060
  N      -5.822121      1.226899     -0.387935
  C      -5.900813     -0.092610     -0.027159
  C      -5.751887     -1.092979     -1.025942
  C      -5.814833     -2.429463     -0.680593
  C      -6.029972     -2.817444      0.668006
  C      -6.182776     -1.862716      1.660141
  C      -6.124958     -0.482120      1.336727
  C      -3.659688      6.316900      5.948026
  C      -3.664677      7.607549      5.108835
  C      -4.092723      7.374788      3.662619
  C      -5.537338      7.015217      3.446601
  N      -6.380138      7.103690      4.466256
  C      -7.672116      6.738397      4.248151
  N      -8.210687      6.279731      3.138106
  C      -7.371021      6.203164      2.060590
  C      -7.878353      5.728619      0.827475
  C      -7.057990      5.672308     -0.280969
  C      -5.713195      6.098967     -0.200298
  C      -5.191839      6.551719      0.995641
  C      -5.998886      6.593759      2.155590
  C      -5.913692      3.005507      6.972114
  C      -6.812781      4.241060      7.183324
  C      -8.290123      3.857050      7.316768
  C      -8.969591      3.345182      6.056068
  N      -8.284806      3.338267      4.920919
  C      -8.907986      2.874510      3.792651
  N     -10.130830      2.381951      3.691010
  C     -10.872000      2.383521      4.845256
  C     -12.206498      1.887039      4.808277
  C     -12.978139      1.892314      5.955566
  C     -12.449014      2.389361      7.179390
  C     -11.148489      2.873527      7.244179
  C     -10.331995      2.878877      6.083164
  H      -3.563769      0.883397      3.171579
  H      -4.653761      2.046903      4.017545
  H      -5.289010      0.040273      5.584546
  H      -4.736302     -0.968276      4.226851
  H      -7.128118     -0.530252      3.935080
  H      -6.915606      1.216237      4.199968
  H      -5.927379      3.165965      0.320018
  H      -5.587316     -0.771791     -2.059387
  H      -5.699867     -3.197559     -1.452733
  H      -6.076942     -3.878601      0.921840
  H      -6.349339     -2.169210      2.697711
  H      -4.690670      5.958118      6.035516
  H      -3.329247      6.584033      6.979430
  H      -2.652094      8.039829      5.098790
  H      -4.323091      8.345977      5.593763
  H      -3.876075      8.268968      3.054828
  H      -3.475308      6.563028      3.242797
  H      -8.331664      6.823149      5.116217
  H      -8.923426      5.417098      0.789572
  H      -7.450045      5.305959     -1.230418
  H      -5.085905      6.068240     -1.090533
  H      -4.160345      6.896283      1.046411
  H      -6.024093      2.347178      7.865426
  H      -6.325573      2.445586      6.115016
  H      -6.505469      4.769148      8.106277
  H      -6.669167      4.938360      6.339330
  H      -8.404043      3.081749      8.105853
  H      -8.872820      4.721971      7.682372
  H      -8.294097      2.899866      2.888673
  H     -12.595323      1.513922      3.851728
  H     -14.007163      1.513125      5.921047
  H     -13.074192      2.388700      8.075975
  H     -10.746620      3.254763      8.191296
  N      -2.582449      3.391003      3.359077
  N      -1.888771      3.370073      2.244106
  H      -1.098873      2.721235      2.129796
  H      -2.151830      3.972387      1.467596
99
Coordinates from ORCA-job orca E -6259.019334712296
  N      -3.012439      1.292087      5.195687
  Mo     -3.421300      3.314319      4.913672
  N      -4.486456      3.249883      6.702092
  C      -3.683048      3.366406      7.904284
  C      -2.350095      2.626108      7.712088
  N      -1.688553      3.092381      6.463247
  C      -0.799432      2.085644      5.836450
  C      -1.605829      1.002472      5.062306
  C      -1.018458      4.406127      6.651551
  C      -1.423302      5.354541      5.507792
  N      -2.850451      5.250640      5.339733
  H      -1.270114      0.990949      4.002716
  H      -1.376124      0.002503      5.477446
  H      -0.162149      2.637381      5.132467
  H      -0.139926      1.633140      6.599454
  H      -1.103636      6.378961      5.777253
  H      -0.889569      5.080588      4.577500
  H      -1.394709      4.833909      7.591724
  H       0.071889      4.267058      6.754668
  H      -4.195159      2.899073      8.770705
  H      -3.488213      4.420559      8.201816
  H      -2.556637      1.556800      7.591526
  H      -1.669327      2.769905      8.572384
  C      -3.939389      1.030721      4.158722
  C      -5.025514     -0.006112      4.484336
  C      -6.364837      0.245619      3.757325
  C      -6.202397      0.502249      2.284437
  N      -6.188337      1.777029      1.898680
  C      -5.995678      2.030742      0.578863
  N      -5.825313      1.152972     -0.394862
  C      -5.853129     -0.166549     -0.029100
  C      -5.692937     -1.167252     -1.022544
  C      -5.710376     -2.503520     -0.672703
  C      -5.889466     -2.891122      0.675044
  C      -6.052205     -1.936503      1.661976
  C      -6.040737     -0.556111      1.333872
  C      -3.647674      6.274964      5.982169
  C      -3.695230      7.576916      5.154321
  C      -4.175366      7.346347      3.720296
  C      -5.632104      6.997332      3.564523
  N      -6.433468      7.122404      4.613911
  C      -7.743998      6.789676      4.449562
  N      -8.336362      6.328094      3.366995
  C      -7.533809      6.192405      2.265891
  C      -8.091301      5.684036      1.067368
  C      -7.307178      5.563337     -0.063043
  C      -5.949932      5.962129     -0.041261
  C      -5.379750      6.447359      1.119491
  C      -6.148241      6.550224      2.302469
  C      -5.890969      2.978410      6.912228
  C      -6.787173      4.216567      7.119830
  C      -8.271628      3.867615      7.233275
  C      -8.944961      3.400054      5.963937
  N      -8.248272      3.382879      4.839548
  C      -8.873943      2.973426      3.699929
  N     -10.112856      2.555677      3.574358
  C     -10.863007      2.573478      4.718513
  C     -12.211824      2.162850      4.656033
  C     -12.994131      2.186882      5.792662
  C     -12.460832      2.616356      7.030482
  C     -11.146707      3.016716      7.119515
  C     -10.319199      3.002866      5.969563
  H      -3.489578      0.856249      3.160946
  H      -4.594841      2.009672      3.983965
  H      -5.200796      0.007475      5.570533
  H      -4.632620     -1.003628      4.224961
  H      -7.029846     -0.612645      3.931368
  H      -6.842214      1.134946      4.190994
  H      -5.991017      3.093692      0.305671
  H      -5.558652     -0.846526     -2.055470
  H      -5.588375     -3.271813     -1.440694
  H      -5.901607     -3.952564      0.932096
  H      -6.192523     -2.242261      2.698589
  H      -4.673153      5.897575      6.100421
  H      -3.287406      6.531654      7.007696
  H      -2.681779      8.014352      5.109727
  H      -4.341340      8.309461      5.670019
  H      -3.975172      8.236529      3.097230
  H      -3.576000      6.528254      3.282364
  H      -8.368272      6.906589      5.342473
  H      -9.145086      5.396597      1.073783
  H      -7.737558      5.168893     -0.985365
  H      -5.351426      5.882654     -0.949837
  H      -4.337835      6.767126      1.125902
  H      -6.018503      2.314087      7.798057
  H      -6.292199      2.427595      6.045963
  H      -6.484856      4.735029      8.045420
  H      -6.625779      4.915435      6.284280
  H      -8.419066      3.091092      8.007179
  H      -8.834754      4.742344      7.603245
  H      -8.249740      2.972925      2.803372
  H     -12.603089      1.841073      3.689600
  H     -14.034408      1.875352      5.738297
  H     -13.094448      2.632116      7.918737
  H     -10.742186      3.349261      8.076496
  N      -2.566097      3.397361      3.318017
  N      -1.885097      3.376751      2.193849
  H      -1.115037      2.716284      2.063917
  H      -2.146839      3.993120      1.428046
99
Coordinates from ORCA-job orca E -6259.020924171608
  N      -2.998156      1.291760      5.205024
  Mo     -3.385261      3.313254      4.889212
  N      -4.474650      3.276994      6.669019
  C      -3.682591      3.395365      7.877263
  C      -2.352333      2.642430      7.706733
  N      -1.670755      3.093078      6.462457
  C      -0.783713      2.074369      5.849279
  C      -1.591731      0.993626      5.073417
  C      -0.992421      4.404376      6.641782
  C      -1.387450      5.342523      5.485390
  N      -2.816157      5.247009      5.315165
  H      -1.254494      0.978054      4.014580
  H      -1.367467     -0.007341      5.490878
  H      -0.134941      2.616626      5.147936
  H      -0.134040      1.619739      6.619387
  H      -1.058101      6.368371      5.738965
  H      -0.855982      5.049607      4.560242
  H      -1.367215      4.843383      7.577619
  H       0.097249      4.260250      6.748105
  H      -4.207116      2.943093      8.744709
  H      -3.479379      4.450836      8.166018
  H      -2.565457      1.573147      7.592159
  H      -1.682083      2.788074      8.574180
  C      -3.923910      1.023204      4.168275
  C      -5.020998     -0.001279      4.502654
  C      -6.350247      0.262670      3.762933
  C      -6.172118      0.509784      2.291154
  N      -6.125705      1.779397      1.902907
  C      -5.910807      2.030188      0.585324
  N      -5.748095      1.156111     -0.384325
  C      -5.811351     -0.158185     -0.016520
  C      -5.665682     -1.154858     -1.006852
  C      -5.724748     -2.486404     -0.657089
  C      -5.930195     -2.872835      0.688029
  C      -6.075947     -1.922388      1.672669
  C      -6.023030     -0.546495      1.344644
  C      -3.604098      6.256452      5.993116
  C      -3.691709      7.561274      5.170663
  C      -4.224540      7.321474      3.755896
  C      -5.689543      6.977089      3.655638
  N      -6.462200      7.147666      4.721309
  C      -7.779993      6.833978      4.601630
  N      -8.406528      6.349349      3.552350
  C      -7.633146      6.152159      2.440126
  C      -8.225858      5.602897      1.278475
  C      -7.471258      5.420470      0.136537
  C      -6.107811      5.794499      0.109736
  C      -5.502952      6.318192      1.234475
  C      -6.243092      6.487772      2.427684
  C      -5.880197      3.010301      6.858266
  C      -6.764985      4.258486      7.047951
  C      -8.251673      3.930482      7.146203
  C      -8.909413      3.477563      5.868738
  N      -8.199612      3.479033      4.753367
  C      -8.811843      3.079869      3.606999
  N     -10.049112      2.656214      3.465410
  C     -10.811405      2.645660      4.601697
  C     -12.154838      2.204825      4.526774
  C     -12.944416      2.190352      5.657852
  C     -12.425042      2.613636      6.901261
  C     -11.117158      3.044730      7.001747
  C     -10.281122      3.065693      5.858988
  H      -3.470061      0.830432      3.175472
  H      -4.567967      2.003802      3.968680
  H      -5.206561      0.031714      5.586441
  H      -4.636700     -1.007136      4.264101
  H      -7.035261     -0.580553      3.938875
  H      -6.812047      1.165518      4.186626
  H      -5.875902      3.088192      0.312121
  H      -5.511067     -0.835050     -2.038390
  H      -5.616535     -3.251846     -1.422796
  H      -5.976577     -3.930830      0.944048
  H      -6.238858     -2.227336      2.707318
  H      -4.621613      5.866505      6.142770
  H      -3.212749      6.507463      7.006597
  H      -2.681583      8.003024      5.087621
  H      -4.322446      8.288284      5.708692
  H      -4.042006      8.202728      3.113601
  H      -3.641384      6.497375      3.309907
  H      -8.381385      6.998161      5.502575
  H      -9.282507      5.333782      1.321453
  H      -7.928957      4.992644     -0.756475
  H      -5.531565      5.664272     -0.807610
  H      -4.454822      6.615965      1.205577
  H      -6.030892      2.348336      7.741909
  H      -6.269102      2.463042      5.985325
  H      -6.464243      4.780099      7.970393
  H      -6.589521      4.948203      6.210371
  H      -8.416249      3.156054      7.914971
  H      -8.809728      4.810558      7.510790
  H      -8.178358      3.091879      2.715243
  H     -12.534568      1.886719      3.556062
  H     -13.980698      1.850294      5.595166
  H     -13.063402      2.598512      7.785704
  H     -10.723129      3.367923      7.964119
  N      -2.549165      3.387853      3.275123
  N      -1.886216      3.348066      2.140739
  H      -1.148890      2.653139      1.993665
  H      -2.139129      3.979268      1.384025
99
Coordinates from ORCA-job orca E -6259.022531903617
  N      -2.998442      1.296165      5.179690
  Mo     -3.389341      3.310123      4.862376
  N      -4.485702      3.269121      6.635020
  C      -3.696383      3.378724      7.844828
  C      -2.367179      2.632606      7.677033
  N      -1.682045      3.091997      6.443756
  C      -0.790047      2.081694      5.826311
  C      -1.592031      1.006127      5.036405
  C      -1.009256      4.402938      6.633890
  C      -1.405017      5.338588      5.478305
  N      -2.833841      5.242949      5.302684
  H      -1.261643      1.006663      3.976780
  H      -1.360934      0.001442      5.438895
  H      -0.141210      2.630633      5.133038
  H      -0.142827      1.623631      6.594902
  H      -1.074257      6.365315      5.724902
  H      -0.876693      5.038721      4.554958
  H      -1.383478      4.835693      7.571703
  H       0.079811      4.263868      6.738814
  H      -4.222028      2.924266      8.706463
  H      -3.493813      4.431296      8.139717
  H      -2.575918      1.564878      7.551827
  H      -1.704025      2.775129      8.549422
  C      -3.928916      1.019180      4.148661
  C      -5.015553     -0.010525      4.490500
  C      -6.349247      0.227926      3.752963
  C      -6.187139      0.456216      2.277190
  N      -6.203621      1.721665      1.865441
  C      -6.015655      1.954493      0.542122
  N      -5.819244      1.066089     -0.412517
  C      -5.814400     -0.245018     -0.019816
  C      -5.626133     -1.258718     -0.992165
  C      -5.618661     -2.587325     -0.618034
  C      -5.799489     -2.954515      0.734451
  C      -5.985514     -1.987343      1.701952
  C      -5.998072     -0.614222      1.348703
  C      -3.617382      6.232481      6.019645
  C      -3.707395      7.564099      5.240388
  C      -4.220884      7.373295      3.817994
  C      -5.681592      7.035794      3.682324
  N      -6.477780      7.184508      4.733964
  C      -7.792324      6.884289      4.574919
  N      -8.396175      6.433016      3.497681
  C      -7.597407      6.249383      2.402745
  C      -8.162922      5.722924      1.216506
  C      -7.379431      5.545935      0.094672
  C      -6.012587      5.904481      0.109272
  C      -5.434916      6.405939      1.258570
  C      -6.207248      6.569924      2.434135
  C      -5.886618      2.992641      6.819088
  C      -6.766725      4.234383      7.028595
  C      -8.252434      3.909047      7.148931
  C      -8.929902      3.460224      5.882000
  N      -8.231981      3.447694      4.757247
  C      -8.865839      3.053203      3.622269
  N     -10.116103      2.658089      3.496816
  C     -10.864837      2.659154      4.644634
  C     -12.218400      2.240536      4.590748
  C     -12.991914      2.234692      5.734481
  C     -12.446752      2.646512      6.969982
  C     -11.129273      3.056916      7.049384
  C     -10.308890      3.067222      5.893466
  H      -3.477191      0.822231      3.156682
  H      -4.571209      1.994900      3.942985
  H      -5.198941      0.033152      5.572070
  H      -4.623011     -1.013782      4.263933
  H      -7.022721     -0.620886      3.941496
  H      -6.819210      1.130117      4.168199
  H      -6.039629      3.009857      0.250417
  H      -5.492609     -0.953929     -2.030155
  H      -5.476801     -3.366175     -1.370346
  H      -5.794160     -4.010638      1.009771
  H      -6.127571     -2.277239      2.742375
  H      -4.628615      5.835915      6.164475
  H      -3.219355      6.450928      7.034353
  H      -2.702567      8.008604      5.179052
  H      -4.342227      8.270360      5.792060
  H      -4.029154      8.273564      3.206313
  H      -3.632302      6.562552      3.359869
  H      -8.411245      7.025193      5.466384
  H      -9.221169      5.464159      1.225941
  H      -7.816627      5.132449     -0.815406
  H      -5.412296      5.778305     -0.793920
  H      -4.382242      6.687929      1.264366
  H      -6.036120      2.318985      7.690719
  H      -6.275079      2.458555      5.940105
  H      -6.449168      4.752590      7.944716
  H      -6.605188      4.926504      6.194397
  H      -8.409504      3.135913      7.919448
  H      -8.802382      4.790544      7.520388
  H      -8.243462      3.052024      2.720548
  H     -12.617627      1.930447      3.625504
  H     -14.035634      1.910678      5.688420
  H     -13.072202      2.639715      7.864903
  H     -10.715937      3.372177      8.006025
  N      -2.581428      3.402961      3.236661
  N      -1.938300      3.353054      2.089229
  H      -1.231341      2.637909      1.922117
  H      -2.182590      3.998236      1.341304
99
Coordinates from ORCA-job orca E -6259.023880225331
  N      -2.990280      1.301765      5.165089
  Mo     -3.368189      3.313391      4.838801
  N      -4.480946      3.281733      6.593994
  C      -3.701872      3.386453      7.812860
  C      -2.374571      2.633156      7.660766
  N      -1.673619      3.085900      6.432618
  C      -0.780786      2.066172      5.826647
  C      -1.584996      0.998680      5.026471
  C      -0.991681      4.394197      6.622461
  C      -1.372971      5.323098      5.455981
  N      -2.805299      5.239114      5.278191
  H      -1.250916      1.005092      3.967724
  H      -1.364248     -0.011077      5.424001
  H      -0.117979      2.608012      5.139561
  H      -0.147751      1.602796      6.604470
  H      -1.029983      6.350477      5.685134
  H      -0.851006      5.000635      4.536946
  H      -1.365266      4.834457      7.557285
  H       0.097265      4.248648      6.729910
  H      -4.240448      2.939114      8.670983
  H      -3.496463      4.439474      8.104516
  H      -2.586577      1.565321      7.535563
  H      -1.722410      2.775029      8.541649
  C      -3.921823      1.021983      4.133019
  C      -5.017333      0.000579      4.472604
  C      -6.338137      0.235912      3.705352
  C      -6.145946      0.450688      2.227534
  N      -6.172252      1.712473      1.801574
  C      -5.959211      1.934601      0.475817
  N      -5.723436      1.037422     -0.469399
  C      -5.702992     -0.270520     -0.061104
  C      -5.469222     -1.293926     -1.021193
  C      -5.446398     -2.619843     -0.632775
  C      -5.656854     -2.975302      0.723016
  C      -5.887219     -1.998447      1.679233
  C      -5.915599     -0.627802      1.311004
  C      -3.572870      6.224231      6.018685
  C      -3.679752      7.553007      5.243332
  C      -4.248284      7.348878      3.840725
  C      -5.719451      7.032018      3.771566
  N      -6.471188      7.248459      4.843475
  C      -7.801366      6.979586      4.744168
  N      -8.460419      6.503670      3.707250
  C      -7.705911      6.245145      2.595015
  C      -8.328717      5.680840      1.452872
  C      -7.588135      5.416937      0.318279
  C      -6.207769      5.724175      0.273431
  C      -5.575566      6.263653      1.377494
  C      -6.303668      6.519365      2.565998
  C      -5.884893      3.006067      6.767883
  C      -6.765489      4.249005      6.974487
  C      -8.253585      3.929733      7.099483
  C      -8.933260      3.466942      5.835915
  N      -8.228888      3.410935      4.716638
  C      -8.866882      3.016972      3.583672
  N     -10.129203      2.671767      3.451164
  C     -10.882801      2.720113      4.592601
  C     -12.248393      2.366815      4.529938
  C     -13.029199      2.415872      5.665408
  C     -12.479046      2.818899      6.901809
  C     -11.149994      3.165342      6.989806
  C     -10.322301      3.121702      5.841811
  H      -3.463407      0.811306      3.146488
  H      -4.550226      2.001616      3.918684
  H      -5.220413      0.057983      5.551766
  H      -4.622537     -1.006674      4.264754
  H      -7.016702     -0.609816      3.887873
  H      -6.816673      1.144057      4.101255
  H      -5.997770      2.988203      0.172965
  H      -5.313920     -0.998356     -2.061923
  H      -5.269298     -3.405854     -1.376264
  H      -5.639436     -4.029485      1.009926
  H      -6.051483     -2.279175      2.722112
  H      -4.581023      5.827728      6.186541
  H      -3.145792      6.437082      7.022117
  H      -2.673879      7.993217      5.144245
  H      -4.294792      8.262590      5.817059
  H      -4.066409      8.236197      3.207889
  H      -3.688305      6.520977      3.374510
  H      -8.381446      7.171989      5.652973
  H      -9.395780      5.458999      1.507581
  H      -8.069435      4.971913     -0.555424
  H      -5.640959      5.526628     -0.638814
  H      -4.512502      6.499798      1.340063
  H      -6.039975      2.329089      7.636630
  H      -6.267651      2.475253      5.883114
  H      -6.442729      4.777028      7.885637
  H      -6.607727      4.936238      6.133269
  H      -8.417038      3.167193      7.882569
  H      -8.796783      4.822699      7.456649
  H      -8.240245      2.980042      2.687659
  H     -12.651178      2.063516      3.563980
  H     -14.081266      2.146097      5.612417
  H     -13.110645      2.857926      7.789461
  H     -10.733821      3.478818      7.946612
  N      -2.557018      3.398589      3.210478
  N      -1.930934      3.326603      2.054729
  H      -1.263953      2.569560      1.868210
  H      -2.154872      3.985548      1.310021
99
Coordinates from ORCA-job orca E -6259.024385896948
  N      -2.955733      1.305571      5.181491
  Mo     -3.332879      3.306856      4.826607
  N      -4.476663      3.296310      6.551834
  C      -3.720134      3.411405      7.788986
  C      -2.388990      2.655465      7.672813
  N      -1.662223      3.093221      6.449633
  C      -0.757153      2.064082      5.873033
  C      -1.548723      0.995698      5.061766
  C      -0.981813      4.404970      6.632000
  C      -1.341234      5.310428      5.439570
  N      -2.775060      5.231601      5.246863
  H      -1.200954      1.004913      4.005856
  H      -1.336148     -0.015256      5.462362
  H      -0.075618      2.595968      5.194532
  H      -0.145768      1.605446      6.671377
  H      -0.991543      6.341447      5.637732
  H      -0.818258      4.953017      4.534134
  H      -1.365820      4.859848      7.556288
  H       0.106609      4.260006      6.752777
  H      -4.278780      2.977671      8.643885
  H      -3.520764      4.468642      8.067914
  H      -2.596113      1.585069      7.556622
  H      -1.759024      2.809289      8.568521
  C      -3.883977      1.004380      4.148448
  C      -4.978116     -0.014162      4.495241
  C      -6.292203      0.221573      3.718762
  C      -6.089044      0.460035      2.248873
  N      -6.108672      1.724166      1.848418
  C      -5.902652      1.973728      0.530899
  N      -5.683144      1.101471     -0.429291
  C      -5.668877     -0.208312     -0.045343
  C      -5.462668     -1.205502     -1.021823
  C      -5.453890     -2.533999     -0.663163
  C      -5.648478     -2.918783      0.680298
  C      -5.851315     -1.968117      1.652974
  C      -5.867933     -0.595082      1.314662
  C      -3.530635      6.219667      5.988133
  C      -3.631894      7.541609      5.212251
  C      -4.223853      7.329449      3.821908
  C      -5.700450      7.039560      3.790283
  N      -6.420627      7.319162      4.867405
  C      -7.763218      7.090718      4.806290
  N      -8.464163      6.609211      3.796533
  C      -7.741553      6.284596      2.679460
  C      -8.410331      5.710172      1.565950
  C      -7.701600      5.368895      0.431797
  C      -6.306178      5.603162      0.357016
  C      -5.630583      6.154036      1.430565
  C      -6.327463      6.496015      2.617928
  C      -5.885809      3.012882      6.703090
  C      -6.783108      4.253395      6.886107
  C      -8.271327      3.925894      7.028928
  C      -8.965628      3.422389      5.780475
  N      -8.268868      3.319582      4.657674
  C      -8.922788      2.896083      3.538820
  N     -10.195605      2.569083      3.419396
  C     -10.939701      2.665689      4.564396
  C     -12.314378      2.339103      4.516273
  C     -13.087492      2.438654      5.654454
  C     -12.520064      2.867850      6.880125
  C     -11.181971      3.188846      6.953894
  C     -10.362007      3.095385      5.802122
  H      -3.415940      0.772317      3.170391
  H      -4.503313      1.982720      3.914891
  H      -5.188980      0.054266      5.572539
  H      -4.582252     -1.022609      4.299114
  H      -6.976406     -0.622389      3.885311
  H      -6.770895      1.124965      4.118118
  H      -5.935490      3.029448      0.250189
  H      -5.320956     -0.887837     -2.051822
  H      -5.301635     -3.298537     -1.419805
  H      -5.643259     -3.974956      0.943903
  H      -6.008138     -2.271273      2.685061
  H      -4.538573      5.828076      6.166421
  H      -3.087225      6.432080      6.982529
  H      -2.624299      7.976118      5.097509
  H      -4.234933      8.255929      5.792097
  H      -4.038747      8.206690      3.176733
  H      -3.686934      6.486034      3.357382
  H      -8.313932      7.326211      5.723561
  H      -9.487090      5.538915      1.643950
  H      -8.218822      4.914128     -0.417463
  H      -5.763789      5.339666     -0.553475
  H      -4.556072      6.327883      1.372181
  H      -6.047599      2.338198      7.575689
  H      -6.249509      2.472612      5.811930
  H      -6.456554      4.812463      7.783637
  H      -6.641193      4.925638      6.023813
  H      -8.427990      3.183508      7.839218
  H      -8.813597      4.830647      7.362159
  H      -8.301499      2.820361      2.642423
  H     -12.730267      2.014988      3.558393
  H     -14.145277      2.190840      5.612923
  H     -13.146226      2.947435      7.769678
  H     -10.753239      3.524710      7.902064
  N      -2.512584      3.376044      3.205392
  N      -1.912783      3.273858      2.039444
  H      -1.282637      2.505760      1.843868
  H      -2.118776      3.925656      1.290248
99
Coordinates from ORCA-job orca E -6259.025934680309
  N      -2.960082      1.316798      5.150463
  Mo     -3.339831      3.317679      4.815734
  N      -4.477319      3.291179      6.539278
  C      -3.718021      3.390314      7.774959
  C      -2.386721      2.639861      7.647803
  N      -1.662843      3.089866      6.430457
  C      -0.760581      2.064988      5.844959
  C      -1.554828      1.007621      5.020702
  C      -0.982457      4.398864      6.622630
  C      -1.344842      5.312188      5.437947
  N      -2.780269      5.240708      5.249300
  H      -1.211505      1.033430      3.964436
  H      -1.340311     -0.008462      5.404998
  H      -0.076717      2.602240      5.174479
  H      -0.152432      1.596091      6.639391
  H      -0.990367      6.341402      5.638480
  H      -0.829169      4.954877      4.529030
  H      -1.364297      4.845707      7.550892
  H       0.105786      4.254073      6.740800
  H      -4.274750      2.946118      8.623304
  H      -3.518907      4.443817      8.066529
  H      -2.591979      1.570900      7.520825
  H      -1.755410      2.786254      8.543661
  C      -3.897381      1.017646      4.126240
  C      -4.983928     -0.004907      4.483255
  C      -6.302277      0.210377      3.711658
  C      -6.112986      0.417870      2.234548
  N      -6.163701      1.674403      1.801756
  C      -5.967929      1.894698      0.476733
  N      -5.731081      1.001833     -0.463045
  C      -5.684809     -0.301023     -0.046625
  C      -5.454479     -1.320377     -1.000309
  C      -5.412480     -2.642500     -0.607426
  C      -5.597463     -2.997884      0.747792
  C      -5.822400     -2.024666      1.698410
  C      -5.872328     -0.657908      1.325053
  C      -3.528139      6.222311      6.016324
  C      -3.642026      7.563249      5.265300
  C      -4.240563      7.385982      3.871650
  C      -5.715023      7.087460      3.829615
  N      -6.449994      7.352078      4.902412
  C      -7.785257      7.104215      4.828668
  N      -8.467019      6.620561      3.810706
  C      -7.732176      6.316850      2.696790
  C      -8.383906      5.751297      1.571350
  C      -7.662253      5.434136      0.439123
  C      -6.270157      5.680623      0.380774
  C      -5.611049      6.220677      1.467308
  C      -6.323210      6.544956      2.649671
  C      -5.884271      3.002031      6.688107
  C      -6.774564      4.239659      6.894334
  C      -8.263829      3.922604      7.028503
  C      -8.957568      3.455862      5.771375
  N      -8.258988      3.373030      4.648439
  C      -8.910994      2.971302      3.523723
  N     -10.183719      2.644143      3.399566
  C     -10.930560      2.717794      4.544742
  C     -12.305716      2.376096      4.494454
  C     -13.078864      2.439648      5.635640
  C     -12.511740      2.848018      6.866142
  C     -11.173745      3.185334      6.941718
  C     -10.353672      3.126219      5.787622
  H      -3.437639      0.787652      3.143987
  H      -4.515422      1.995830      3.901361
  H      -5.190951      0.071612      5.560002
  H      -4.582264     -1.012789      4.295488
  H      -6.978873     -0.636616      3.898959
  H      -6.784473      1.119123      4.097066
  H      -6.023776      2.944072      0.170263
  H      -5.320074     -1.025152     -2.040479
  H      -5.240915     -3.424664     -1.346372
  H      -5.566041     -4.049351      1.038192
  H      -5.970749     -2.305192      2.740532
  H      -4.535180      5.827430      6.200672
  H      -3.073622      6.418470      7.010690
  H      -2.637847      8.004431      5.154367
  H      -4.245716      8.262277      5.864169
  H      -4.063865      8.280552      3.247849
  H      -3.698000      6.557879      3.385805
  H      -8.350157      7.331073      5.738883
  H      -9.457600      5.568316      1.637387
  H      -8.166557      4.987623     -0.420214
  H      -5.716837      5.434451     -0.527556
  H      -4.537112      6.401067      1.422137
  H      -6.048592      2.309928      7.544785
  H      -6.246997      2.482964      5.787590
  H      -6.445384      4.776806      7.798941
  H      -6.626934      4.923995      6.047893
  H      -8.425161      3.165842      7.817483
  H      -8.801499      4.820498      7.380866
  H      -8.286470      2.903634      2.628847
  H     -12.720714      2.065355      3.533700
  H     -14.137818      2.174320      5.593657
  H     -13.137456      2.896101      7.759116
  H     -10.745066      3.499691      7.894289
  N      -2.535598      3.398105      3.182851
  N      -1.954599      3.294461      2.008198
  H      -1.374397      2.472969      1.781130
  H      -2.152011      3.971730      1.271339
99
Coordinates from ORCA-job orca E -6259.025823603681
  N      -2.968925      1.325815      5.100937
  Mo     -3.338924      3.327161      4.782012
  N      -4.479534      3.292222      6.497662
  C      -3.722257      3.374086      7.735084
  C      -2.393013      2.621444      7.606053
  N      -1.661532      3.077513      6.398400
  C      -0.766918      2.048985      5.809170
  C      -1.566710      1.010362      4.964677
  C      -0.975689      4.381126      6.599657
  C      -1.334613      5.302356      5.420650
  N      -2.772534      5.247249      5.236761
  H      -1.223141      1.057110      3.909834
  H      -1.356244     -0.013783      5.327862
  H      -0.070488      2.586024      5.152894
  H      -0.172124      1.563265      6.603108
  H      -0.967488      6.327943      5.619760
  H      -0.830358      4.938083      4.509032
  H      -1.356121      4.821907      7.530689
  H       0.111605      4.232449      6.718996
  H      -4.283918      2.924891      8.575525
  H      -3.518798      4.423525      8.037796
  H      -2.600015      1.554179      7.469489
  H      -1.765096      2.759471      8.505243
  C      -3.915246      1.030117      4.083507
  C      -5.003183      0.011093      4.447891
  C      -6.316102      0.204918      3.658753
  C      -6.118262      0.376816      2.175551
  N      -6.204800      1.621269      1.705568
  C      -5.983595      1.810898      0.374313
  N      -5.684324      0.899290     -0.538972
  C      -5.600294     -0.392665     -0.084845
  C      -5.291543     -1.432010     -1.008325
  C      -5.206350     -2.742999     -0.575004
  C      -5.426985     -3.066768      0.791077
  C      -5.726814     -2.072892      1.712373
  C      -5.818695     -0.717306      1.297571
  C      -3.506776      6.214686      6.041830
  C      -3.653153      7.569208      5.314323
  C      -4.296496      7.403705      3.937469
  C      -5.770313      7.092566      3.935755
  N      -6.490967      7.384031      5.012975
  C      -7.822187      7.119970      4.969903
  N      -8.513148      6.601731      3.979725
  C      -7.795389      6.273277      2.862386
  C      -8.460534      5.677640      1.763511
  C      -7.755268      5.335604      0.628591
  C      -6.366729      5.584100      0.543407
  C      -5.695223      6.152882      1.604112
  C      -6.391444      6.507992      2.785513
  C      -5.886027      3.006650      6.638714
  C      -6.753784      4.252042      6.861054
  C      -8.245829      3.966181      6.996694
  C      -8.943217      3.522826      5.737869
  N      -8.239972      3.413927      4.621007
  C      -8.893462      3.027945      3.494243
  N     -10.173460      2.743243      3.362108
  C     -10.925674      2.842159      4.501086
  C     -12.309305      2.536986      4.443620
  C     -13.085887      2.616708      5.580589
  C     -12.514454      3.005929      6.813618
  C     -11.169026      3.310519      6.895820
  C     -10.345575      3.233333      5.746289
  H      -3.461101      0.797378      3.099202
  H      -4.526585      2.009136      3.858848
  H      -5.221997      0.103858      5.521254
  H      -4.593658     -0.998272      4.282526
  H      -6.986617     -0.644549      3.860034
  H      -6.810271      1.120338      4.017767
  H      -6.068417      2.851414      0.038180
  H      -5.129556     -1.160946     -2.058198
  H      -4.971206     -3.541724     -1.290574
  H      -5.360988     -4.109731      1.113126
  H      -5.898970     -2.328800      2.763859
  H      -4.507785      5.810148      6.246803
  H      -3.028427      6.398793      7.028007
  H      -2.657072      8.021393      5.178068
  H      -4.244497      8.253378      5.942179
  H      -4.147674      8.304743      3.315232
  H      -3.760372      6.585094      3.429909
  H      -8.376692      7.371578      5.879807
  H      -9.530365      5.491399      1.851093
  H      -8.269910      4.867483     -0.210797
  H      -5.825699      5.316311     -0.365690
  H      -4.622838      6.332316      1.539210
  H      -6.062413      2.299688      7.479433
  H      -6.248202      2.511928      5.728111
  H      -6.412099      4.774825      7.765384
  H      -6.594549      4.936974      6.020171
  H      -8.422881      3.210636      7.779671
  H      -8.765201      4.871221      7.353173
  H      -8.263621      2.932750      2.605627
  H     -12.727138      2.237942      3.481877
  H     -14.151903      2.375878      5.533695
  H     -13.142540      3.064662      7.703749
  H     -10.736929      3.608019      7.850366
  N      -2.564539      3.419131      3.136262
  N      -2.018276      3.303095      1.947106
  H      -1.466999      2.499336      1.714237
  H      -2.212149      3.978899      1.215351
99
Coordinates from ORCA-job orca E -6259.027407235544
  N      -2.964985      1.316626      5.106138
  Mo     -3.348512      3.312907      4.789052
  N      -4.483237      3.275826      6.501905
  C      -3.725280      3.361821      7.740617
  C      -2.392505      2.616099      7.610640
  N      -1.664486      3.072115      6.400137
  C      -0.766818      2.044097      5.814858
  C      -1.563073      1.004280      4.968987
  C      -0.985501      4.379619      6.597305
  C      -1.346980      5.293322      5.414076
  N      -2.785136      5.236104      5.231550
  H      -1.220018      1.055454      3.913963
  H      -1.349267     -0.019880      5.329381
  H      -0.067599      2.579207      5.160220
  H      -0.176118      1.559959      6.612233
  H      -0.981310      6.320128      5.604959
  H      -0.844388      4.921925      4.504128
  H      -1.369385      4.822576      7.526462
  H       0.101847      4.237192      6.717966
  H      -4.284671      2.910210      8.581687
  H      -3.528165      4.412773      8.041890
  H      -2.593285      1.547123      7.477640
  H      -1.765418      2.760404      8.509344
  C      -3.915131      1.010117      4.095561
  C      -4.993377     -0.014219      4.468898
  C      -6.306269      0.172886      3.679013
  C      -6.101206      0.365667      2.201276
  N      -6.188984      1.613700      1.751865
  C      -5.958881      1.824858      0.427825
  N      -5.651263      0.931962     -0.496090
  C      -5.566463     -0.362831     -0.062953
  C      -5.250557     -1.381830     -0.999118
  C      -5.163180     -2.695461     -0.588120
  C      -5.387940     -3.041917      0.768273
  C      -5.695362     -2.068272      1.701917
  C      -5.790809     -0.710330      1.309937
  C      -3.517388      6.210589      6.026288
  C      -3.652304      7.561196      5.293663
  C      -4.283395      7.401362      3.913270
  C      -5.758202      7.098160      3.900041
  N      -6.481975      7.396950      4.972813
  C      -7.816917      7.148877      4.921381
  N      -8.510139      6.646544      3.922642
  C      -7.790778      6.319266      2.805686
  C      -8.461996      5.755965      1.692858
  C      -7.756705      5.416434      0.557186
  C      -6.361478      5.632338      0.486454
  C      -5.684180      6.171988      1.559892
  C      -6.380377      6.527232      2.742035
  C      -5.889139      2.985320      6.646411
  C      -6.759687      4.228516      6.872784
  C      -8.251389      3.938712      7.020729
  C      -8.958320      3.483415      5.768283
  N      -8.259224      3.354076      4.650334
  C      -8.918533      2.958274      3.528568
  N     -10.202124      2.688750      3.401234
  C     -10.950407      2.812856      4.540265
  C     -12.337692      2.534508      4.484840
  C     -13.111969      2.642840      5.620987
  C     -12.533988      3.033103      6.851523
  C     -11.184835      3.312318      6.931821
  C     -10.363882      3.209262      5.782050
  H      -3.465111      0.774670      3.109878
  H      -4.530590      1.986495      3.873245
  H      -5.211009      0.079831      5.542431
  H      -4.577923     -1.020918      4.304337
  H      -6.971377     -0.682694      3.868085
  H      -6.808747      1.079436      4.044309
  H      -6.042200      2.867889      0.108120
  H      -5.085330     -1.093136     -2.040609
  H      -4.922587     -3.478481     -1.313581
  H      -5.319515     -4.086656      1.072986
  H      -5.871232     -2.342221      2.745125
  H      -4.520510      5.811985      6.228964
  H      -3.041933      6.399681      7.011598
  H      -2.654711      8.010796      5.166561
  H      -4.246390      8.246624      5.914014
  H      -4.127352      8.306660      3.299386
  H      -3.747366      6.585167      3.404917
  H      -8.373032      7.400249      5.830575
  H      -9.537028      5.592918      1.769904
  H      -8.276798      4.974405     -0.293992
  H      -5.820251      5.365251     -0.423039
  H      -4.607816      6.328952      1.503093
  H      -6.058831      2.275505      7.486409
  H      -6.252642      2.491035      5.734757
  H      -6.412338      4.756586      7.774253
  H      -6.607096      4.911613      6.026692
  H      -8.422508      3.186913      7.812122
  H      -8.769048      4.846895      7.373889
  H      -8.291114      2.848631      2.639511
  H     -12.760743      2.234664      3.525099
  H     -14.180087      2.425796      5.575005
  H     -13.160812      3.114524      7.740627
  H     -10.747726      3.614038      7.884077
  N      -2.577865      3.397528      3.137916
  N      -2.051522      3.271032      1.940523
  H      -1.559891      2.413902      1.678669
  H      -2.240696      3.956072      1.213706
99
Coordinates from ORCA-job orca E -6259.028118869153
  N      -2.943438      1.325247      5.093468
  Mo     -3.326899      3.320149      4.781451
  N      -4.475130      3.282885      6.479146
  C      -3.728308      3.364524      7.727134
  C      -2.392626      2.616626      7.609408
  N      -1.650273      3.070903      6.403582
  C      -0.750627      2.038259      5.828486
  C      -1.542025      1.008211      4.965920
  C      -0.971198      4.377727      6.604550
  C      -1.320493      5.291484      5.416368
  N      -2.758867      5.241402      5.226362
  H      -1.188478      1.069588      3.913916
  H      -1.334175     -0.020317      5.318805
  H      -0.035225      2.569291      5.186678
  H      -0.177246      1.545688      6.634195
  H      -0.949960      6.316685      5.606044
  H      -0.816026      4.914445      4.509447
  H      -1.364207      4.822078      7.529775
  H       0.115683      4.234600      6.736024
  H      -4.297264      2.911342      8.562466
  H      -3.534182      4.415158      8.030774
  H      -2.592580      1.547211      7.476642
  H      -1.774665      2.760664      8.514984
  C      -3.893800      1.016155      4.082137
  C      -4.966259     -0.011117      4.461551
  C      -6.280528      0.161164      3.672998
  C      -6.079897      0.349648      2.194461
  N      -6.199801      1.593616      1.736105
  C      -5.992011      1.798630      0.411227
  N      -5.683224      0.902566     -0.506004
  C      -5.567215     -0.388109     -0.064031
  C      -5.255170     -1.410108     -0.993249
  C      -5.136863     -2.719713     -0.573025
  C      -5.325525     -3.058839      0.785256
  C      -5.631698     -2.082467      1.711923
  C      -5.759617     -0.728377      1.310653
  C      -3.486898      6.214218      6.022447
  C      -3.620738      7.561935      5.292412
  C      -4.276498      7.395067      3.923502
  C      -5.753840      7.105225      3.949516
  N      -6.444966      7.445989      5.030035
  C      -7.786636      7.217086      5.018099
  N      -8.515482      6.701098      4.048937
  C      -7.828329      6.333536      2.923057
  C      -8.537828      5.758449      1.839479
  C      -7.866069      5.376757      0.696244
  C      -6.466970      5.557467      0.590753
  C      -5.751912      6.107875      1.635218
  C      -6.412885      6.510191      2.822495
  C      -5.886397      2.996462      6.608580
  C      -6.763513      4.243710      6.818382
  C      -8.257269      3.954801      6.957029
  C      -8.965035      3.497488      5.703996
  N      -8.265557      3.365600      4.586484
  C      -8.926401      2.972923      3.464093
  N     -10.212550      2.708187      3.336686
  C     -10.961857      2.836405      4.474978
  C     -12.352046      2.566313      4.418474
  C     -13.127383      2.679056      5.554065
  C     -12.547403      3.066099      6.784926
  C     -11.195582      3.338177      6.866001
  C     -10.373622      3.230422      5.716748
  H      -3.443217      0.777868      3.096975
  H      -4.507821      1.993096      3.859074
  H      -5.183548      0.088302      5.534255
  H      -4.544907     -1.016205      4.303583
  H      -6.937702     -0.699826      3.866299
  H      -6.790960      1.063861      4.035375
  H      -6.101919      2.838136      0.083210
  H      -5.119303     -1.127438     -2.035893
  H      -4.900051     -3.504315     -1.293011
  H      -5.232134     -4.100647      1.097663
  H      -5.781820     -2.351086      2.756058
  H      -4.490098      5.818789      6.227716
  H      -3.007276      6.403156      7.005643
  H      -2.622953      8.007726      5.149818
  H      -4.203026      8.251931      5.921825
  H      -4.126508      8.296550      3.303548
  H      -3.758173      6.571801      3.406843
  H      -8.314371      7.498462      5.935716
  H      -9.615278      5.620219      1.944788
  H      -8.415782      4.927077     -0.133010
  H      -5.952401      5.254195     -0.322798
  H      -4.673284      6.235259      1.551240
  H      -6.064541      2.287595      7.449078
  H      -6.238672      2.500133      5.691399
  H      -6.423613      4.779575      7.720591
  H      -6.604722      4.921913      5.966478
  H      -8.431492      3.203717      7.749437
  H      -8.775401      4.864865      7.307624
  H      -8.297633      2.861037      2.575598
  H     -12.776631      2.269217      3.458520
  H     -14.197362      2.468692      5.507146
  H     -13.175123      3.150690      7.673506
  H     -10.756759      3.637686      7.818445
  N      -2.554887      3.400164      3.130826
  N      -2.054776      3.264701      1.924177
  H      -1.632160      2.371503      1.634283
  H      -2.232681      3.968869      1.206737
99
Coordinates from ORCA-job orca E -6259.029060770265
  N      -2.943746      1.327361      5.070487
  Mo     -3.334200      3.320668      4.775001
  N      -4.477390      3.272493      6.469505
  C      -3.729725      3.348475      7.718039
  C      -2.391563      2.605690      7.595755
  N      -1.648262      3.063644      6.392139
  C      -0.752255      2.029632      5.815752
  C      -1.543987      1.011012      4.939411
  C      -0.971212      4.370155      6.595088
  C      -1.322872      5.287154      5.410845
  N      -2.762067      5.244294      5.225443
  H      -1.188766      1.087316      3.888814
  H      -1.335387     -0.021948      5.278166
  H      -0.026355      2.558835      5.184932
  H      -0.190125      1.526261      6.622408
  H      -0.948144      6.310500      5.602291
  H      -0.823236      4.910158      4.501166
  H      -1.366122      4.811938      7.521008
  H       0.115550      4.229091      6.728422
  H      -4.296790      2.886946      8.549682
  H      -3.540150      4.397672      8.028632
  H      -2.588328      1.536072      7.460685
  H      -1.773768      2.748751      8.501675
  C      -3.900965      1.015083      4.066315
  C      -4.966023     -0.015894      4.456017
  C      -6.279793      0.138550      3.662682
  C      -6.074826      0.322255      2.183665
  N      -6.207948      1.562115      1.717329
  C      -5.984510      1.765881      0.393869
  N      -5.648215      0.872219     -0.515091
  C      -5.520620     -0.415124     -0.065918
  C      -5.179607     -1.434803     -0.986503
  C      -5.049060     -2.740547     -0.557443
  C      -5.254240     -3.077724      0.800610
  C      -5.588073     -2.103610      1.718682
  C      -5.728748     -0.753506      1.308651
  C      -3.483963      6.217209      6.029009
  C      -3.621212      7.570884      5.306855
  C      -4.283972      7.420631      3.939435
  C      -5.760798      7.126523      3.967398
  N      -6.453135      7.470550      5.046886
  C      -7.793009      7.235778      5.037025
  N      -8.519461      6.715591      4.068984
  C      -7.832675      6.351454      2.941784
  C      -8.542446      5.783625      1.855837
  C      -7.870564      5.405180      0.711349
  C      -6.471229      5.579455      0.609827
  C      -5.756218      6.123701      1.656690
  C      -6.417383      6.526288      2.842749
  C      -5.888721      2.984130      6.598017
  C      -6.763226      4.230387      6.815332
  C      -8.257720      3.946940      6.959092
  C      -8.972611      3.487151      5.710833
  N      -8.274363      3.326610      4.596852
  C      -8.939141      2.926646      3.478642
  N     -10.229015      2.682031      3.353045
  C     -10.978262      2.843731      4.486737
  C     -12.373456      2.602432      4.429217
  C     -13.148967      2.748649      5.560621
  C     -12.563947      3.140227      6.788106
  C     -11.207261      3.385257      6.869985
  C     -10.385444      3.244896      5.724424
  H      -3.457805      0.778320      3.077306
  H      -4.518753      1.989629      3.847630
  H      -5.186015      0.091660      5.527342
  H      -4.535328     -1.018802      4.308751
  H      -6.927217     -0.729884      3.858240
  H      -6.802823      1.036987      4.018041
  H      -6.104580      2.802441      0.059311
  H      -5.031580     -1.153860     -2.029467
  H      -4.789916     -3.523412     -1.270420
  H      -5.151100     -4.116522      1.119957
  H      -5.751318     -2.371175      2.762877
  H      -4.487465      5.823739      6.240108
  H      -2.998898      6.403435      7.010792
  H      -2.624077      8.017666      5.163980
  H      -4.200002      8.256693      5.944354
  H      -4.142719      8.333590      3.333855
  H      -3.764921      6.609174      3.406188
  H      -8.322525      7.518363      5.953608
  H      -9.619803      5.648209      1.959923
  H      -8.420649      4.962592     -0.120931
  H      -5.955777      5.277758     -0.303601
  H      -4.677327      6.246626      1.574173
  H      -6.065168      2.268240      7.431937
  H      -6.241396      2.495878      5.676835
  H      -6.419055      4.762750      7.717274
  H      -6.602150      4.907386      5.964294
  H      -8.431371      3.198204      7.753882
  H      -8.771558      4.859406      7.309645
  H      -8.309621      2.786588      2.595235
  H     -12.802016      2.300616      3.472144
  H     -14.223028      2.561159      5.512553
  H     -13.191970      3.250098      7.673418
  H     -10.764253      3.689112      7.819428
  N      -2.585135      3.402257      3.113218
  N      -2.123981      3.253717      1.892124
  H      -1.781069      2.338273      1.580959
  H      -2.310366      3.954772      1.179120
99
Coordinates from ORCA-job orca E -6259.029901052455
  N      -2.955137      1.315058      5.046380
  Mo     -3.349569      3.309032      4.765392
  N      -4.485694      3.256412      6.461847
  C      -3.733538      3.325157      7.707847
  C      -2.394994      2.583496      7.577992
  N      -1.651435      3.042279      6.375143
  C      -0.762456      2.004819      5.796073
  C      -1.557655      0.998069      4.908929
  C      -0.973855      4.347637      6.576869
  C      -1.327477      5.268432      5.396200
  N      -2.766969      5.234438      5.216576
  H      -1.202931      1.085830      3.859295
  H      -1.348956     -0.038844      5.235218
  H      -0.026195      2.529762      5.174725
  H      -0.210766      1.489832      6.602056
  H      -0.947417      6.289124      5.592206
  H      -0.831204      4.894542      4.483234
  H      -1.369071      4.789896      7.502892
  H       0.112640      4.206536      6.711002
  H      -4.296841      2.856420      8.537985
  H      -3.544387      4.372798      8.024512
  H      -2.592511      1.514115      7.441730
  H      -1.774420      2.723873      8.482254
  C      -3.919325      1.001580      4.049576
  C      -4.977156     -0.033485      4.449825
  C      -6.290069      0.100297      3.650791
  C      -6.072772      0.293268      2.175606
  N      -6.230595      1.529488      1.712491
  C      -5.975670      1.744916      0.395769
  N      -5.582169      0.867195     -0.507997
  C      -5.430203     -0.416995     -0.062992
  C      -5.022562     -1.419813     -0.978181
  C      -4.861572     -2.720925     -0.550719
  C      -5.102941     -3.070150      0.799789
  C      -5.501663     -2.112606      1.712380
  C      -5.672775     -0.767311      1.304335
  C      -3.482666      6.209790      6.022370
  C      -3.619942      7.564558      5.299156
  C      -4.298049      7.422154      3.938134
  C      -5.776847      7.135118      3.981231
  N      -6.457968      7.496220      5.062602
  C      -7.797638      7.264102      5.069319
  N      -8.533871      6.732546      4.116174
  C      -7.859716      6.354500      2.985963
  C      -8.581721      5.777586      1.914362
  C      -7.922359      5.383086      0.767807
  C      -6.524065      5.550233      0.651556
  C      -5.796994      6.104652      1.684188
  C      -6.444962      6.523456      2.870792
  C      -5.898932      2.979156      6.591857
  C      -6.760671      4.232417      6.809681
  C      -8.256424      3.963099      6.960187
  C      -8.978974      3.502815      5.717466
  N      -8.282916      3.309059      4.607679
  C      -8.953388      2.904030      3.494148
  N     -10.247092      2.687019      3.370598
  C     -10.995256      2.886587      4.499504
  C     -12.395535      2.679732      4.441659
  C     -13.169910      2.865048      5.568573
  C     -12.578597      3.261539      6.791467
  C     -11.216808      3.473435      6.873523
  C     -10.396364      3.293567      5.732241
  H      -3.484504      0.766735      3.056460
  H      -4.542833      1.973673      3.834520
  H      -5.198735      0.080869      5.519931
  H      -4.536305     -1.033194      4.311900
  H      -6.921215     -0.781124      3.837968
  H      -6.833386      0.986042      4.005534
  H      -6.115632      2.777716      0.062624
  H      -4.846681     -1.129636     -2.015678
  H      -4.548549     -3.491350     -1.259317
  H      -4.974512     -4.104763      1.118244
  H      -5.689901     -2.389939      2.750853
  H      -4.487008      5.820834      6.240255
  H      -2.993837      6.396961      7.002526
  H      -2.621121      8.004644      5.147219
  H      -4.187688      8.254597      5.941206
  H      -4.161733      8.339778      3.338041
  H      -3.787810      6.614562      3.392646
  H      -8.317611      7.558138      5.987653
  H      -9.657889      5.647396      2.031291
  H      -8.481865      4.933382     -0.053756
  H      -6.017600      5.235494     -0.262407
  H      -4.718702      6.222714      1.589251
  H      -6.079143      2.264020      7.424556
  H      -6.256593      2.495719      5.670961
  H      -6.409888      4.762952      7.709407
  H      -6.592819      4.903434      5.956276
  H      -8.433734      3.218966      7.758721
  H      -8.760368      4.880491      7.309827
  H      -8.324953      2.736571      2.614216
  H     -12.829242      2.373175      3.488112
  H     -14.248435      2.704929      5.519527
  H     -13.205827      3.401955      7.673362
  H     -10.768430      3.781767      7.819025
  N      -2.628156      3.384276      3.088703
  N      -2.212219      3.222892      1.851276
  H      -1.954471      2.292234      1.520387
  H      -2.415097      3.928125      1.146431
99
Coordinates from ORCA-job orca E -6259.030645824725
  N      -2.953888      1.314773      5.025851
  Mo     -3.354523      3.308855      4.759604
  N      -4.486953      3.250137      6.456898
  C      -3.731777      3.312701      7.701226
  C      -2.392656      2.573165      7.566326
  N      -1.647309      3.033666      6.365440
  C      -0.762188      1.995618      5.783294
  C      -1.557279      1.000935      4.882353
  C      -0.970682      4.338319      6.568319
  C      -1.324755      5.263334      5.390877
  N      -2.763794      5.234657      5.214118
  H      -1.203191      1.102331      3.833912
  H      -1.346928     -0.039908      5.195098
  H      -0.016326      2.518950      5.172522
  H      -0.220422      1.469267      6.588642
  H      -0.941717      6.281739      5.593829
  H      -0.828835      4.895821      4.475027
  H      -1.367307      4.780042      7.494168
  H       0.115660      4.197931      6.703900
  H      -4.291617      2.836626      8.529628
  H      -3.544310      4.358745      8.023656
  H      -2.590294      1.504295      7.427826
  H      -1.771362      2.710636      8.470629
  C      -3.922630      1.000410      4.033415
  C      -4.972181     -0.040741      4.440667
  C      -6.285132      0.072370      3.637313
  C      -6.062241      0.263971      2.161959
  N      -6.240878      1.495550      1.691721
  C      -5.975505      1.713398      0.377267
  N      -5.552273      0.841743     -0.517979
  C      -5.381844     -0.439159     -0.066947
  C      -4.946613     -1.436804     -0.973528
  C      -4.768993     -2.734517     -0.539463
  C      -5.020681     -3.085779      0.808682
  C      -5.445749     -2.133496      1.713020
  C      -5.634183     -0.791399      1.298534
  C      -3.477279      6.206947      6.026239
  C      -3.615399      7.566007      5.310055
  C      -4.305569      7.434143      3.954265
  C      -5.784715      7.148689      4.011669
  N      -6.454961      7.518539      5.096792
  C      -7.794616      7.286023      5.118598
  N      -8.540114      6.745322      4.177079
  C      -7.876969      6.358616      3.043166
  C      -8.608579      5.770624      1.983634
  C      -7.959834      5.366175      0.834073
  C      -6.563312      5.535747      0.702237
  C      -5.826934      6.101431      1.722895
  C      -6.463517      6.529118      2.912415
  C      -5.902278      2.981653      6.585421
  C      -6.759329      4.240472      6.792031
  C      -8.256489      3.978670      6.942505
  C      -8.980963      3.512227      5.703909
  N      -8.283532      3.291444      4.600846
  C      -8.955882      2.877644      3.491581
  N     -10.251680      2.676313      3.367094
  C     -11.001628      2.906424      4.488789
  C     -12.404585      2.721571      4.427671
  C     -13.181189      2.939666      5.546911
  C     -12.589234      3.347226      6.765117
  C     -11.224522      3.537597      6.850130
  C     -10.401939      3.324898      5.716451
  H      -3.493417      0.769587      3.037096
  H      -4.553513      1.968676      3.821409
  H      -5.195991      0.080996      5.509695
  H      -4.520110     -1.037105      4.312800
  H      -6.903372     -0.818789      3.825404
  H      -6.843984      0.951203      3.988077
  H      -6.134357      2.742189      0.037845
  H      -4.764352     -1.145916     -2.009967
  H      -4.435629     -3.500755     -1.241438
  H      -4.879369     -4.117875      1.132442
  H      -5.642765     -2.412991      2.749660
  H      -4.481634      5.819535      6.246552
  H      -2.986493      6.388781      7.006739
  H      -2.615368      8.000999      5.152054
  H      -4.174429      8.256933      5.958845
  H      -4.175540      8.358484      3.362515
  H      -3.801479      6.632780      3.394726
  H      -8.305516      7.588065      6.039419
  H      -9.683349      5.639692      2.112807
  H      -8.526724      4.907098      0.022411
  H      -6.064480      5.214234     -0.213962
  H      -4.750138      6.221779      1.616005
  H      -6.086149      2.273067      7.422504
  H      -6.260626      2.493767      5.666742
  H      -6.408487      4.776201      7.689093
  H      -6.585557      4.903158      5.933466
  H      -8.436429      3.239842      7.745683
  H      -8.756488      4.900105      7.287349
  H      -8.326369      2.688713      2.616828
  H     -12.838921      2.406129      3.477734
  H     -14.262053      2.797630      5.494610
  H     -13.218049      3.513702      7.641018
  H     -10.775467      3.854843      7.791797
  N      -2.659664      3.381497      3.071963
  N      -2.286954      3.208358      1.819770
  H      -2.118389      2.264347      1.476331
  H      -2.524447      3.904381      1.121619
99
Coordinates from ORCA-job orca E -6259.031386241814
  N      -2.955526      1.308371      5.007831
  Mo     -3.363737      3.302780      4.754668
  N      -4.491421      3.239672      6.454721
  C      -3.731623      3.295743      7.696049
  C      -2.392849      2.557002      7.555227
  N      -1.646693      3.019005      6.355350
  C      -0.764204      1.981625      5.769005
  C      -1.558905      0.999250      4.854867
  C      -0.970232      4.322871      6.558382
  C      -1.323793      5.250477      5.381981
  N      -2.762381      5.225626      5.207380
  H      -1.209235      1.115120      3.806599
  H      -1.345738     -0.045473      5.153565
  H      -0.010314      2.504514      5.167317
  H      -0.230699      1.444207      6.572933
  H      -0.938168      6.267077      5.590215
  H      -0.827337      4.888826      4.464077
  H      -1.366710      4.765909      7.483623
  H       0.116344      4.182624      6.693513
  H      -4.287304      2.813662      8.524532
  H      -3.544481      4.340490      8.022583
  H      -2.591934      1.488781      7.414333
  H      -1.770903      2.690887      8.459828
  C      -3.928440      0.993071      4.019498
  C      -4.968485     -0.056354      4.432182
  C      -6.281860      0.035823      3.625276
  C      -6.051908      0.234962      2.151714
  N      -6.255150      1.462408      1.679198
  C      -5.975579      1.688916      0.369190
  N      -5.513632      0.830115     -0.518667
  C      -5.320227     -0.447695     -0.066308
  C      -4.845851     -1.433374     -0.965463
  C      -4.646410     -2.728261     -0.530418
  C      -4.914661     -3.089051      0.811314
  C      -5.376902     -2.148414      1.708783
  C      -5.587609     -0.809077      1.293448
  C      -3.473847      6.195111      6.024045
  C      -3.608088      7.556743      5.313146
  C      -4.311945      7.434420      3.963429
  C      -5.791927      7.155619      4.036875
  N      -6.448633      7.535512      5.126661
  C      -7.788488      7.306129      5.166104
  N      -8.546090      6.755957      4.238996
  C      -7.897060      6.358094      3.101034
  C      -8.641471      5.757070      2.056650
  C      -8.007403      5.341511      0.903018
  C      -6.613238      5.514880      0.749259
  C      -5.864181      6.093984      1.754397
  C      -6.485577      6.530475      2.950013
  C      -5.909735      2.986673      6.582497
  C      -6.757574      4.255899      6.768497
  C      -8.256836      4.006292      6.922254
  C      -8.985678      3.529833      5.690052
  N      -8.289266      3.274551      4.593696
  C      -8.966981      2.847454      3.491999
  N     -10.265504      2.660874      3.369698
  C     -11.014341      2.928581      4.484223
  C     -12.420082      2.764366      4.423779
  C     -13.196229      3.023058      5.534938
  C     -12.600694      3.451646      6.744213
  C     -11.232678      3.621162      6.828461
  C     -10.410542      3.367086      5.702979
  H      -3.503508      0.766205      3.020580
  H      -4.567836      1.956101      3.810903
  H      -5.193388      0.072062      5.500460
  H      -4.505176     -1.048888      4.312972
  H      -6.884826     -0.867173      3.808410
  H      -6.858367      0.903331      3.977108
  H      -6.156218      2.713336      0.026663
  H      -4.652401     -1.136144     -1.997710
  H      -4.283474     -3.485079     -1.227004
  H      -4.756458     -4.119017      1.136192
  H      -5.586643     -2.435583      2.740474
  H      -4.478716      5.810069      6.245326
  H      -2.981700      6.369822      7.005055
  H      -2.604851      7.981653      5.146687
  H      -4.155296      8.251939      5.967473
  H      -4.184021      8.362967      3.377317
  H      -3.817367      6.635506      3.392055
  H      -8.287973      7.619912      6.088920
  H      -9.714450      5.625354      2.201387
  H      -8.584301      4.870469      0.104778
  H      -6.125702      5.186745     -0.171079
  H      -4.789463      6.219862      1.630460
  H      -6.100860      2.293044      7.430494
  H      -6.270450      2.488023      5.670253
  H      -6.404124      4.802768      7.658558
  H      -6.578218      4.904960      5.899996
  H      -8.440746      3.277181      7.734118
  H      -8.749310      4.934724      7.258539
  H      -8.339123      2.631491      2.622306
  H     -12.857253      2.432352      3.480495
  H     -14.279393      2.897783      5.482551
  H     -13.228855      3.650969      7.613832
  H     -10.780960      3.954481      7.763480
  N      -2.694448      3.371819      3.056640
  N      -2.366999      3.194583      1.789354
  H      -2.283432      2.247024      1.433241
  H      -2.637513      3.904963      1.106499
99
Coordinates from ORCA-job orca E -6259.032192709660
  N      -2.959264      1.299152      4.998566
  Mo     -3.370326      3.293190      4.746996
  N      -4.495769      3.233378      6.449285
  C      -3.732243      3.287222      7.687941
  C      -2.394994      2.546739      7.545538
  N      -1.647831      3.005893      6.345487
  C      -0.767044      1.967178      5.757925
  C      -1.562122      0.993015      4.835962
  C      -0.969078      4.308903      6.545040
  C      -1.320404      5.232934      5.364567
  N      -2.759385      5.210965      5.191613
  H      -1.219047      1.119597      3.786950
  H      -1.346845     -0.054385      5.124425
  H      -0.008067      2.488964      5.161024
  H      -0.239294      1.423405      6.561595
  H      -0.931275      6.249273      5.568643
  H      -0.825598      4.868037      4.447325
  H      -1.363336      4.756522      7.468792
  H       0.117751      4.167664      6.678329
  H      -4.285965      2.805382      8.518339
  H      -3.543467      4.331865      8.013874
  H      -2.596160      1.478700      7.405058
  H      -1.774058      2.679974      8.450968
  C      -3.935863      0.980581      4.014301
  C      -4.968797     -0.074587      4.430929
  C      -6.280124      0.001903      3.618065
  C      -6.042376      0.211795      2.147714
  N      -6.267169      1.436100      1.678266
  C      -5.972065      1.675733      0.374133
  N      -5.471893      0.833777     -0.509391
  C      -5.257002     -0.441665     -0.060589
  C      -4.739935     -1.410490     -0.955330
  C      -4.518010     -2.703086     -0.525179
  C      -4.805847     -3.078850      0.807791
  C      -5.308808     -2.154304      1.701429
  C      -5.541977     -0.817422      1.291008
  C      -3.466712      6.178992      6.012844
  C      -3.598050      7.542168      5.307732
  C      -4.319918      7.426648      3.966769
  C      -5.800390      7.157195      4.061845
  N      -6.440471      7.551419      5.156346
  C      -7.780616      7.328824      5.216868
  N      -8.553335      6.768558      4.308311
  C      -7.921800      6.354146      3.166933
  C      -8.682211      5.738131      2.141967
  C      -8.066257      5.306138      0.985204
  C      -6.674523      5.478575      0.805979
  C      -5.910201      6.072323      1.791257
  C      -6.512879      6.523717      2.992105
  C      -5.915638      2.991635      6.577055
  C      -6.755361      4.269709      6.740062
  C      -8.256634      4.033207      6.896855
  C      -8.989303      3.549340      5.670322
  N      -8.294712      3.264955      4.579390
  C      -8.978222      2.831546      3.484143
  N     -10.279346      2.661974      3.362641
  C     -11.025617      2.959405      4.471805
  C     -12.433497      2.814237      4.412868
  C     -13.207640      3.104088      5.517992
  C     -12.607661      3.546506      6.719554
  C     -11.237120      3.697140      6.802159
  C     -10.416885      3.410223      5.683220
  H      -3.512919      0.752738      3.014839
  H      -4.579329      1.938559      3.804943
  H      -5.197168      0.060618      5.497618
  H      -4.497395     -1.064200      4.320761
  H      -6.871542     -0.909918      3.792997
  H      -6.870315      0.859189      3.971086
  H      -6.171584      2.696929      0.033503
  H      -4.532209     -1.102345     -1.981130
  H      -4.121528     -3.446895     -1.218850
  H      -4.629968     -4.106922      1.129102
  H      -5.532391     -2.452696      2.726304
  H      -4.471192      5.795311      6.236506
  H      -2.969735      6.346452      6.991924
  H      -2.592732      7.957717      5.129460
  H      -4.131984      8.240653      5.968936
  H      -4.192951      8.355348      3.380878
  H      -3.837893      6.625640      3.387626
  H      -8.265548      7.656550      6.142220
  H      -9.753076      5.608449      2.304534
  H      -8.655518      4.821843      0.203952
  H      -6.201534      5.138875     -0.117688
  H      -4.837978      6.200165      1.648491
  H      -6.113870      2.314963      7.437046
  H      -6.277654      2.479640      5.672927
  H      -6.398455      4.829435      7.620580
  H      -6.573148      4.904532      5.861241
  H      -8.445838      3.314864      7.716767
  H      -8.740974      4.969023      7.223260
  H      -8.353193      2.594201      2.617785
  H     -12.873974      2.471206      3.475368
  H     -14.292482      2.993268      5.466884
  H     -13.233888      3.771373      7.584551
  H     -10.782495      4.040747      7.731803
  N      -2.725201      3.356489      3.040015
  N      -2.435297      3.172648      1.761609
  H      -2.441572      2.214611      1.405086
  H      -2.759246      3.871799      1.094471
99
Coordinates from ORCA-job orca E -6259.033013947892
  N      -2.972729      1.290989      4.998046
  Mo     -3.385156      3.285492      4.744371
  N      -4.501552      3.231371      6.453419
  C      -3.728516      3.283990      7.686356
  C      -2.394211      2.539794      7.537888
  N      -1.651632      2.994600      6.333472
  C      -0.774566      1.952914      5.741898
  C      -1.575335      0.986810      4.817588
  C      -0.966177      4.295940      6.525231
  C      -1.317102      5.211750      5.338210
  N      -2.758242      5.192929      5.171422
  H      -1.246721      1.125231      3.765717
  H      -1.357537     -0.063384      5.094301
  H      -0.014245      2.473638      5.144820
  H      -0.248872      1.404373      6.543708
  H      -0.923360      6.229095      5.529046
  H      -0.828915      4.836055      4.422061
  H      -1.352681      4.750673      7.448627
  H       0.121438      4.151514      6.651096
  H      -4.278233      2.805381      8.521518
  H      -3.535504      4.329019      8.009721
  H      -2.598936      1.471743      7.398927
  H      -1.771673      2.672893      8.442329
  C      -3.956030      0.968041      4.020907
  C      -4.981653     -0.092988      4.440504
  C      -6.287245     -0.023737      3.617410
  C      -6.032501      0.200201      2.151993
  N      -6.262628      1.424467      1.687612
  C      -5.942756      1.678434      0.391585
  N      -5.410042      0.851639     -0.486568
  C      -5.191081     -0.424787     -0.043191
  C      -4.640319     -1.378700     -0.932871
  C      -4.414769     -2.672960     -0.510647
  C      -4.731950     -3.065478      0.810429
  C      -5.266858     -2.154627      1.699636
  C      -5.504089     -0.816557      1.296780
  C      -3.455782      6.165264      5.996382
  C      -3.572756      7.529829      5.297508
  C      -4.309088      7.426586      3.963024
  C      -5.789848      7.170435      4.073722
  N      -6.415133      7.573191      5.173803
  C      -7.755363      7.357810      5.252048
  N      -8.540997      6.790196      4.359091
  C      -7.925562      6.366284      3.213155
  C      -8.700401      5.738910      2.205271
  C      -8.101910      5.299334      1.043487
  C      -6.713251      5.476453      0.838151
  C      -5.935329      6.080218      1.805888
  C      -6.519862      6.535915      3.015947
  C      -5.922129      2.996744      6.588355
  C      -6.761104      4.279553      6.718699
  C      -8.263751      4.048380      6.878345
  C      -8.996849      3.548857      5.658448
  N      -8.300677      3.237806      4.575263
  C      -8.985563      2.794878      3.485876
  N     -10.288483      2.634158      3.362207
  C     -11.035281      2.956569      4.464076
  C     -12.444285      2.820295      4.404863
  C     -13.220014      3.136383      5.501608
  C     -12.620193      3.598223      6.694956
  C     -11.248263      3.740084      6.777637
  C     -10.426251      3.424813      5.668041
  H      -3.535966      0.737357      3.020889
  H      -4.602177      1.920245      3.813154
  H      -5.216196      0.048776      5.505115
  H      -4.505427     -1.081081      4.338904
  H      -6.874104     -0.940776      3.778978
  H      -6.886685      0.826739      3.970674
  H      -6.148321      2.699200      0.054030
  H      -4.410654     -1.057925     -1.949541
  H      -3.992199     -3.405347     -1.201038
  H      -4.553405     -4.094783      1.125596
  H      -5.512651     -2.465137      2.715129
  H      -4.462178      5.788132      6.220229
  H      -2.953084      6.322004      6.973743
  H      -2.563051      7.930925      5.110557
  H      -4.091203      8.233710      5.965197
  H      -4.177376      8.354991      3.378399
  H      -3.840328      6.621631      3.377957
  H      -8.227468      7.694211      6.180783
  H      -9.768596      5.607412      2.385042
  H      -8.702252      4.804962      0.277109
  H      -6.255488      5.133230     -0.091530
  H      -4.866536      6.216005      1.643259
  H      -6.122626      2.345036      7.466883
  H      -6.286391      2.460145      5.699066
  H      -6.403165      4.860479      7.584770
  H      -6.581948      4.896127      5.825750
  H      -8.454594      3.343250      7.708532
  H      -8.745767      4.990801      7.189123
  H      -8.360335      2.543114      2.623033
  H     -12.884187      2.462406      3.473646
  H     -14.305681      3.031600      5.451118
  H     -13.247246      3.844915      7.553443
  H     -10.795021      4.098243      7.701762
  N      -2.778413      3.341005      3.025054
  N      -2.530052      3.155377      1.732055
  H      -2.615830      2.192558      1.378654
  H      -2.915365      3.852241      1.092290
99
Coordinates from ORCA-job orca E -6259.033704082223
  N      -2.981575      1.285273      4.990101
  Mo     -3.401061      3.279007      4.741627
  N      -4.506510      3.220586      6.455806
  C      -3.724962      3.269782      7.684083
  C      -2.390777      2.526477      7.527353
  N      -1.653859      2.983713      6.320838
  C      -0.780223      1.942504      5.724390
  C      -1.584706      0.986195      4.794579
  C      -0.966931      4.283480      6.509888
  C      -1.320618      5.196227      5.322025
  N      -2.762766      5.179797      5.161195
  H      -1.266432      1.140273      3.741610
  H      -1.362470     -0.066548      5.056396
  H      -0.017328      2.463596      5.131210
  H      -0.258443      1.387248      6.523831
  H      -0.925388      6.213708      5.505908
  H      -0.838231      4.815645      4.404933
  H      -1.349891      4.738635      7.434328
  H       0.120903      4.138982      6.631966
  H      -4.270053      2.789899      8.521295
  H      -3.530517      4.313924      8.008909
  H      -2.595606      1.459092      7.386541
  H      -1.765527      2.657780      8.430306
  C      -3.970044      0.956954      4.018911
  C      -4.984370     -0.113423      4.439981
  C      -6.285549     -0.060376      3.607191
  C      -6.022480      0.172371      2.144559
  N      -6.274342      1.392394      1.679863
  C      -5.943149      1.655629      0.389214
  N      -5.377276      0.843109     -0.481614
  C      -5.137493     -0.430082     -0.039068
  C      -4.552209     -1.369243     -0.922305
  C      -4.307310     -2.660312     -0.501190
  C      -4.638693     -3.063841      0.812364
  C      -5.206160     -2.166636      1.695303
  C      -5.463488     -0.832252      1.293557
  C      -3.452704      6.153133      5.994623
  C      -3.565763      7.523325      5.305040
  C      -4.312666      7.436627      3.974717
  C      -5.792461      7.180825      4.092540
  N      -6.412514      7.581853      5.196795
  C      -7.750278      7.360759      5.284345
  N      -8.537876      6.785286      4.398803
  C      -7.929046      6.365392      3.248228
  C      -8.707851      5.732349      2.248081
  C      -8.116622      5.299094      1.080869
  C      -6.731796      5.489529      0.861734
  C      -5.950283      6.098578      1.821748
  C      -6.526923      6.545701      3.038692
  C      -5.928613      2.997171      6.598316
  C      -6.758172      4.288320      6.699343
  C      -8.262168      4.072046      6.865774
  C      -9.000245      3.554340      5.655180
  N      -8.306599      3.201950      4.582480
  C      -8.994991      2.742650      3.500932
  N     -10.299828      2.597411      3.376832
  C     -11.044092      2.960792      4.467790
  C     -12.454816      2.843141      4.407420
  C     -13.228252      3.203192      5.492272
  C     -12.624267      3.692188      6.674569
  C     -11.250702      3.815606      6.758617
  C     -10.430946      3.454716      5.661347
  H      -3.552574      0.728569      3.017093
  H      -4.622803      1.902388      3.816566
  H      -5.226672      0.031448      5.502333
  H      -4.497724     -1.096710      4.346054
  H      -6.860008     -0.986184      3.760061
  H      -6.899793      0.779758      3.958737
  H      -6.167994      2.672191      0.050125
  H      -4.312609     -1.040082     -1.933323
  H      -3.858398     -3.381649     -1.186463
  H      -4.445007     -4.090571      1.126347
  H      -5.462511     -2.485185      2.705076
  H      -4.459870      5.777925      6.219213
  H      -2.946036      6.301443      6.971488
  H      -2.555366      7.919930      5.113135
  H      -4.074687      8.225277      5.982125
  H      -4.183506      8.371199      3.399474
  H      -3.848979      6.637491      3.378077
  H      -8.219299      7.698739      6.213945
  H      -9.772903      5.592042      2.437579
  H      -8.719557      4.800095      0.320125
  H      -6.281027      5.153287     -0.073527
  H      -4.885233      6.247933      1.647155
  H      -6.132329      2.367289      7.491953
  H      -6.297620      2.441927      5.722175
  H      -6.395218      4.888236      7.550771
  H      -6.575648      4.882699      5.791457
  H      -8.458171      3.384195      7.710362
  H      -8.735633      5.024233      7.158271
  H      -8.371316      2.461519      2.646022
  H     -12.897978      2.463969      3.484613
  H     -14.315081      3.112933      5.441269
  H     -13.249602      3.974356      7.523273
  H     -10.794690      4.195080      7.674421
  N      -2.838331      3.336561      3.011001
  N      -2.637151      3.151244      1.704644
  H      -2.802332      2.192792      1.365349
  H      -3.082800      3.842800      1.097077
99
Coordinates from ORCA-job orca E -6259.034266716912
  N      -2.992876      1.289780      4.992371
  Mo     -3.418937      3.283446      4.746553
  N      -4.510098      3.218136      6.465158
  C      -3.718663      3.263237      7.689399
  C      -2.384244      2.521840      7.523074
  N      -1.656541      2.982799      6.312441
  C      -0.786297      1.940725      5.711238
  C      -1.597626      0.993407      4.779663
  C      -0.965766      4.280718      6.498462
  C      -1.320641      5.186861      5.307237
  N      -2.765106      5.172996      5.153342
  H      -1.292142      1.163690      3.725217
  H      -1.372186     -0.061865      5.026006
  H      -0.022776      2.461870      5.119269
  H      -0.267151      1.381156      6.508852
  H      -0.924408      6.205720      5.475605
  H      -0.847125      4.792701      4.391212
  H      -1.344619      4.736694      7.424254
  H       0.122093      4.134430      6.616562
  H      -4.259855      2.783038      8.527829
  H      -3.522671      4.306364      8.015869
  H      -2.587894      1.454884      7.380095
  H      -1.755438      2.652055      8.423610
  C      -3.987175      0.953310      4.028286
  C      -4.991122     -0.126083      4.448164
  C      -6.287138     -0.078208      3.605875
  C      -6.018282      0.159149      2.144519
  N      -6.272584      1.378149      1.677254
  C      -5.930529      1.643278      0.389339
  N      -5.349900      0.834610     -0.474990
  C      -5.109283     -0.438514     -0.030801
  C      -4.508902     -1.373597     -0.908090
  C      -4.267690     -2.665434     -0.485622
  C      -4.617355     -3.072809      0.823255
  C      -5.196619     -2.178293      1.700445
  C      -5.450336     -0.843621      1.297341
  C      -3.443531      6.155839      5.989668
  C      -3.538366      7.527801      5.301494
  C      -4.290812      7.451746      3.972929
  C      -5.772373      7.210137      4.093972
  N      -6.386439      7.623471      5.197417
  C      -7.724918      7.408195      5.292606
  N      -8.517489      6.823635      4.417075
  C      -7.915371      6.395126      3.265750
  C      -8.701344      5.754960      2.277001
  C      -8.118092      5.315359      1.108427
  C      -6.735089      5.507873      0.877261
  C      -5.946854      6.122421      1.826587
  C      -6.513956      6.573015      3.045831
  C      -5.931074      2.990001      6.620734
  C      -6.765497      4.276932      6.698272
  C      -8.269296      4.058712      6.862730
  C      -9.003300      3.535748      5.653564
  N      -8.305095      3.173226      4.587340
  C      -8.988088      2.715817      3.503441
  N     -10.293088      2.577198      3.372638
  C     -11.041603      2.946982      4.457954
  C     -12.452273      2.834538      4.391562
  C     -13.230275      3.201447      5.470553
  C     -12.631286      3.692977      6.652952
  C     -11.258375      3.812152      6.742821
  C     -10.433787      3.443365      5.651749
  H      -3.570774      0.726188      3.025652
  H      -4.643521      1.893253      3.835861
  H      -5.242779      0.018407      5.508079
  H      -4.499292     -1.106935      4.358088
  H      -6.857745     -1.007857      3.750636
  H      -6.907605      0.757815      3.955686
  H      -6.159215      2.658565      0.046972
  H      -4.255619     -1.040736     -1.915616
  H      -3.808169     -3.384444     -1.165752
  H      -4.427312     -4.100392      1.137102
  H      -5.466991     -2.499031      2.707019
  H      -4.455188      5.790575      6.209311
  H      -2.937119      6.297062      6.967717
  H      -2.525205      7.914850      5.107513
  H      -4.036434      8.233739      5.982377
  H      -4.153684      8.385256      3.398538
  H      -3.836663      6.647836      3.375813
  H      -8.190714      7.756220      6.220231
  H      -9.764764      5.614878      2.475355
  H      -8.725757      4.811782      0.354731
  H      -6.293052      5.168651     -0.060806
  H      -4.884610      6.276209      1.640434
  H      -6.126959      2.378909      7.527277
  H      -6.302035      2.412691      5.759581
  H      -6.406760      4.892054      7.538820
  H      -6.583399      4.856364      5.782610
  H      -8.465829      3.375332      7.708910
  H      -8.746104      5.011733      7.145957
  H      -8.360414      2.430920      2.652326
  H     -12.891368      2.453654      3.468959
  H     -14.316821      3.114603      5.415956
  H     -13.260543      3.980912      7.496676
  H     -10.806877      4.194244      7.658401
  N      -2.905239      3.344390      3.005833
  N      -2.739527      3.171932      1.683993
  H      -2.935272      2.219809      1.347678
  H      -3.227557      3.869974      1.108481
99
Coordinates from ORCA-job orca E -6259.034817882156
  N      -2.993484      1.297754      4.972093
  Mo     -3.426920      3.292305      4.740100
  N      -4.510776      3.218054      6.460040
  C      -3.715410      3.257354      7.682605
  C      -2.380640      2.516028      7.510235
  N      -1.652812      2.979927      6.300076
  C      -0.787115      1.936875      5.695453
  C      -1.600536      1.004206      4.751160
  C      -0.960506      4.275553      6.488436
  C      -1.314199      5.185285      5.300178
  N      -2.758558      5.177766      5.152268
  H      -1.296452      1.190740      3.699030
  H      -1.373467     -0.054574      4.980560
  H      -0.013940      2.455327      5.113941
  H      -0.278483      1.365836      6.491848
  H      -0.914062      6.202389      5.470720
  H      -0.844264      4.792221      4.381544
  H      -1.341407      4.730296      7.414385
  H       0.126909      4.127670      6.609797
  H      -4.254630      2.773189      8.520209
  H      -3.518364      4.299287      8.012438
  H      -2.585401      1.449581      7.365076
  H      -1.749157      2.642714      8.409327
  C      -3.991563      0.956411      4.013654
  C      -4.981969     -0.133090      4.439478
  C      -6.281305     -0.108424      3.601449
  C      -6.023781      0.123790      2.137659
  N      -6.304540      1.333709      1.660748
  C      -5.966373      1.596070      0.371437
  N      -5.365351      0.794163     -0.484906
  C      -5.099129     -0.471007     -0.032189
  C      -4.475431     -1.399199     -0.901086
  C      -4.209113     -2.682962     -0.467988
  C      -4.556195     -3.088694      0.842161
  C      -5.156843     -2.200682      1.711212
  C      -5.435979     -0.873689      1.297981
  C      -3.430932      6.156597      5.999632
  C      -3.526889      7.534092      5.320928
  C      -4.287557      7.466183      3.996845
  C      -5.768102      7.220939      4.130040
  N      -6.373211      7.640299      5.235783
  C      -7.709764      7.420527      5.344339
  N      -8.508127      6.826433      4.479975
  C      -7.914808      6.393315      3.325245
  C      -8.707963      5.746864      2.346774
  C      -8.133580      5.302519      1.174735
  C      -6.753088      5.495280      0.932867
  C      -5.957170      6.116058      1.872866
  C      -6.515156      6.574046      3.092325
  C      -5.933578      2.998089      6.618839
  C      -6.764542      4.289853      6.669072
  C      -8.268746      4.076864      6.834890
  C      -9.003192      3.543590      5.630128
  N      -8.303583      3.161869      4.572053
  C      -8.985480      2.696511      3.490153
  N     -10.290730      2.568096      3.355939
  C     -11.041219      2.957758      4.432682
  C     -12.452489      2.857764      4.359874
  C     -13.232270      3.244842      5.430417
  C     -12.634748      3.744096      6.610382
  C     -11.261364      3.852131      6.706288
  C     -10.434827      3.463082      5.623363
  H      -3.579832      0.735665      3.007862
  H      -4.656271      1.892297      3.830532
  H      -5.233840      0.013149      5.498814
  H      -4.479045     -1.108858      4.353580
  H      -6.835255     -1.047680      3.752002
  H      -6.914395      0.718420      3.951172
  H      -6.217214      2.602999      0.020402
  H      -4.224579     -1.067778     -1.909976
  H      -3.731563     -3.397127     -1.140825
  H      -4.346339     -4.110430      1.163592
  H      -5.424366     -2.520320      2.719100
  H      -4.444112      5.794265      6.219065
  H      -2.923476      6.289869      6.978882
  H      -2.514893      7.921862      5.123057
  H      -4.019085      8.236814      6.009857
  H      -4.157181      8.405855      3.430306
  H      -3.837325      6.668993      3.388114
  H      -8.169127      7.775009      6.272580
  H      -9.769209      5.606011      2.555512
  H      -8.746206      4.794215      0.428068
  H      -6.317978      5.151268     -0.007050
  H      -4.896432      6.268492      1.677618
  H      -6.129636      2.404475      7.536729
  H      -6.305418      2.404673      5.768043
  H      -6.407007      4.920866      7.499757
  H      -6.576214      4.849390      5.741174
  H      -8.467081      3.401153      7.687682
  H      -8.743821      5.033412      7.108889
  H      -8.356582      2.395915      2.645909
  H     -12.890596      2.470621      3.439367
  H     -14.319359      3.167909      5.370449
  H     -13.265826      4.047534      7.447241
  H     -10.810510      4.240805      7.619125
  N      -2.952709      3.361898      2.989823
  N      -2.830169      3.198504      1.658036
  H      -3.071667      2.259086      1.331264
  H      -3.353786      3.895601      1.113706
99
Coordinates from ORCA-job orca E -6259.035383530141
  N      -2.989692      1.314149      4.958733
  Mo     -3.436454      3.308522      4.741988
  N      -4.511254      3.218062      6.462933
  C      -3.713072      3.251479      7.684685
  C      -2.376891      2.512945      7.506304
  N      -1.651138      2.985145      6.297781
  C      -0.785794      1.945472      5.689186
  C      -1.598077      1.026844      4.730963
  C      -0.960072      4.279080      6.493028
  C      -1.313321      5.193220      5.308411
  N      -2.757603      5.189046      5.163961
  H      -1.294137      1.231490      3.681671
  H      -1.366788     -0.034889      4.941972
  H      -0.004788      2.464816      5.119066
  H      -0.286105      1.363991      6.483914
  H      -0.912363      6.209624      5.479947
  H      -0.846015      4.800749      4.388119
  H      -1.345178      4.729180      7.419586
  H       0.126710      4.130898      6.619790
  H      -4.250988      2.763276      8.520529
  H      -3.516179      4.292046      8.018266
  H      -2.580157      1.447018      7.356611
  H      -1.742783      2.635856      8.404048
  C      -3.988840      0.964179      4.003625
  C      -4.960676     -0.140835      4.429193
  C      -6.264173     -0.140293      3.596371
  C      -6.028142      0.077762      2.126989
  N      -6.341518      1.275785      1.639358
  C      -6.032585      1.526041      0.341639
  N      -5.430809      0.723820     -0.513642
  C      -5.131411     -0.530094     -0.050686
  C      -4.506150     -1.457688     -0.919170
  C      -4.207787     -2.730146     -0.474475
  C      -4.523573     -3.124513      0.845787
  C      -5.125759     -2.237150      1.714292
  C      -5.436900     -0.920663      1.290058
  C      -3.426185      6.162267      6.022198
  C      -3.523987      7.546987      5.354071
  C      -4.286097      7.490284      4.030090
  C      -5.766173      7.235716      4.161518
  N      -6.375719      7.650958      5.266669
  C      -7.710213      7.421970      5.372280
  N      -8.502207      6.822552      4.505871
  C      -7.904057      6.394875      3.351144
  C      -8.691239      5.746815      2.370333
  C      -8.111638      5.308604      1.197472
  C      -6.732459      5.508488      0.961066
  C      -5.941673      6.131801      1.904145
  C      -6.504968      6.584659      3.121487
  C      -5.934954      3.003355      6.628211
  C      -6.760132      4.298704      6.652987
  C      -8.264330      4.091906      6.819813
  C      -8.997601      3.548616      5.617249
  N      -8.296660      3.149418      4.566521
  C      -8.976366      2.675619      3.484816
  N     -10.281243      2.554767      3.346483
  C     -11.033617      2.960420      4.415522
  C     -12.444993      2.866722      4.336432
  C     -13.225752      3.270122      5.399967
  C     -12.629621      3.780142      6.578481
  C     -11.256603      3.882880      6.680479
  C     -10.428930      3.476344      5.604610
  H      -3.578992      0.755812      2.994479
  H      -4.663156      1.893303      3.836212
  H      -5.215654      0.000337      5.488708
  H      -4.443397     -1.109098      4.342681
  H      -6.802240     -1.086733      3.759269
  H      -6.907056      0.680291      3.944242
  H      -6.310966      2.522775     -0.018302
  H      -4.280203     -1.134874     -1.935462
  H      -3.728766     -3.444508     -1.145910
  H      -4.288550     -4.138190      1.174968
  H      -5.368790     -2.548282      2.729870
  H      -4.441331      5.801190      6.237513
  H      -2.920797      6.287401      7.003737
  H      -2.513351      7.939386      5.158360
  H      -4.015468      8.242931      6.051008
  H      -4.162295      8.437597      3.474330
  H      -3.832424      6.702476      3.411575
  H      -8.175408      7.775272      6.298533
  H      -9.751549      5.599600      2.577558
  H      -8.718962      4.799538      0.447529
  H      -6.293446      5.167445      0.021769
  H      -4.881034      6.288063      1.711706
  H      -6.128631      2.427070      7.557397
  H      -6.309271      2.393794      5.789899
  H      -6.403859      4.943781      7.473723
  H      -6.563319      4.837749      5.713874
  H      -8.465881      3.423653      7.679168
  H      -8.737660      5.051762      7.083954
  H      -8.346391      2.361007      2.647350
  H     -12.882208      2.471134      3.417069
  H     -14.312843      3.197968      5.335221
  H     -13.262295      4.096209      7.409231
  H     -10.805867      4.280281      7.591368
  N      -3.001101      3.399455      2.984926
  N      -2.903015      3.264230      1.644215
  H      -3.142840      2.329666      1.308833
  H      -3.445574      3.965996      1.125675
99
Coordinates from ORCA-job orca E -6259.036003530653
  N      -2.988713      1.329025      4.940293
  Mo     -3.449656      3.323946      4.744388
  N      -4.513410      3.219358      6.469768
  C      -3.710587      3.246398      7.688472
  C      -2.375153      2.510092      7.501285
  N      -1.651114      2.988083      6.294387
  C      -0.787375      1.951591      5.679480
  C      -1.598244      1.047593      4.706375
  C      -0.960858      4.280720      6.496166
  C      -1.314149      5.200951      5.316978
  N      -2.757603      5.202072      5.177424
  H      -1.293458      1.266355      3.660056
  H      -1.363429     -0.017011      4.900967
  H       0.002234      2.470508      5.121029
  H      -0.296638      1.358067      6.470906
  H      -0.909688      6.215327      5.494819
  H      -0.848243      4.814337      4.393509
  H      -1.348956      4.728542      7.422744
  H       0.125328      4.131624      6.626881
  H      -4.244313      2.751570      8.523072
  H      -3.513825      4.285460      8.026795
  H      -2.578927      1.444572      7.347897
  H      -1.736937      2.628756      8.396669
  C      -3.990710      0.971015      3.991592
  C      -4.943611     -0.148095      4.421671
  C      -6.253417     -0.165552      3.599465
  C      -6.033614      0.041454      2.126019
  N      -6.363519      1.231765      1.631682
  C      -6.073417      1.474882      0.327790
  N      -5.473576      0.672588     -0.527929
  C      -5.156132     -0.573755     -0.058082
  C      -4.531838     -1.501307     -0.926634
  C      -4.214118     -2.765787     -0.474394
  C      -4.509272     -3.152703      0.852843
  C      -5.111323     -2.266126      1.721691
  C      -5.441471     -0.956670      1.290345
  C      -3.424014      6.171122      6.039075
  C      -3.514146      7.558912      5.375024
  C      -4.271841      7.510572      4.048940
  C      -5.754393      7.260591      4.174316
  N      -6.368151      7.684971      5.273277
  C      -7.704759      7.463204      5.371830
  N      -8.494648      6.862568      4.503999
  C      -7.890905      6.422853      3.356447
  C      -8.673490      5.768288      2.375969
  C      -8.087059      5.314919      1.211309
  C      -6.706056      5.507065      0.983320
  C      -5.919495      6.139553      1.925552
  C      -6.489183      6.605541      3.134534
  C      -5.936263      3.003918      6.641263
  C      -6.762954      4.297037      6.653766
  C      -8.266629      4.085061      6.816007
  C      -8.993959      3.545125      5.609524
  N      -8.288198      3.151305      4.560380
  C      -8.964177      2.682044      3.474345
  N     -10.268387      2.562381      3.332104
  C     -11.025640      2.962847      4.399773
  C     -12.436905      2.869800      4.315168
  C     -13.221577      3.267141      5.378218
  C     -12.629897      3.770410      6.561055
  C     -11.257138      3.873220      6.667985
  C     -10.425579      3.472504      5.592746
  H      -3.587467      0.776194      2.977355
  H      -4.676344      1.892997      3.840259
  H      -5.195292     -0.011497      5.482855
  H      -4.413902     -1.109514      4.331322
  H      -6.780192     -1.116583      3.775259
  H      -6.901681      0.651192      3.947562
  H      -6.365851      2.465386     -0.037380
  H      -4.322140     -1.184709     -1.948255
  H      -3.735269     -3.480112     -1.145501
  H      -4.258984     -4.160866      1.187382
  H      -5.338544     -2.572120      2.742517
  H      -4.442457      5.816588      6.249485
  H      -2.923074      6.289261      7.023275
  H      -2.500356      7.946037      5.184288
  H      -4.003668      8.255919      6.071832
  H      -4.144641      8.461397      3.499934
  H      -3.818674      6.725861      3.426799
  H      -8.173480      7.823837      6.293799
  H      -9.735774      5.626906      2.578216
  H      -8.690738      4.799626      0.462558
  H      -6.260611      5.151990      0.052080
  H      -4.856700      6.289227      1.739503
  H      -6.123064      2.437832      7.577253
  H      -6.312535      2.383399      5.812283
  H      -6.412842      4.946502      7.472594
  H      -6.560507      4.828129      5.711952
  H      -8.466649      3.411436      7.670698
  H      -8.745036      5.040804      7.084442
  H      -8.331247      2.367853      2.638869
  H     -12.870761      2.479568      3.392422
  H     -14.308692      3.195335      5.308743
  H     -13.265929      4.081391      7.391369
  H     -10.808685      4.265353      7.581703
  N      -3.047086      3.431680      2.980128
  N      -2.975774      3.319446      1.634209
  H      -3.223636      2.387528      1.291942
  H      -3.539006      4.018836      1.140923
99
Coordinates from ORCA-job orca E -6259.036635454896
  N      -2.984444      1.347665      4.918730
  Mo     -3.463281      3.340332      4.740941
  N      -4.512142      3.227907      6.474023
  C      -3.701346      3.251441      7.687509
  C      -2.369632      2.515036      7.491066
  N      -1.649655      2.995550      6.284205
  C      -0.785534      1.963275      5.662000
  C      -1.594005      1.072985      4.674748
  C      -0.960156      4.288617      6.489002
  C      -1.316346      5.209405      5.311041
  N      -2.759692      5.213269      5.178092
  H      -1.292843      1.304784      3.630220
  H      -1.354957      0.005901      4.852645
  H       0.010074      2.482559      5.113104
  H      -0.302054      1.359707      6.449480
  H      -0.907992      6.222644      5.487118
  H      -0.855151      4.823619      4.385438
  H      -1.346859      4.737696      7.415369
  H       0.125587      4.140059      6.618456
  H      -4.229189      2.754894      8.524191
  H      -3.502526      4.289848      8.026222
  H      -2.574707      1.449854      7.335393
  H      -1.728256      2.631051      8.384613
  C      -3.993172      0.973009      3.981254
  C      -4.920584     -0.163114      4.418233
  C      -6.237580     -0.190345      3.609276
  C      -6.028609      0.008925      2.133375
  N      -6.353701      1.196464      1.634525
  C      -6.076489      1.431157      0.323660
  N      -5.490291      0.622741     -0.534656
  C      -5.172816     -0.619026     -0.057491
  C      -4.559547     -1.552738     -0.926197
  C      -4.240938     -2.813380     -0.468362
  C      -4.524450     -3.191511      0.865515
  C      -5.116147     -2.299225      1.735229
  C      -5.446107     -0.993083      1.297855
  C      -3.423028      6.171227      6.050315
  C      -3.510751      7.568176      5.406673
  C      -4.268020      7.539061      4.081356
  C      -5.748804      7.281469      4.209360
  N      -6.359647      7.697436      5.313292
  C      -7.694000      7.468789      5.417252
  N      -8.484371      6.865793      4.551559
  C      -7.883910      6.427926      3.402421
  C      -8.664658      5.758659      2.428714
  C      -8.079969      5.300434      1.265473
  C      -6.702329      5.505836      1.026422
  C      -5.918249      6.156684      1.959645
  C      -6.485746      6.622497      3.172586
  C      -5.934367      3.012505      6.652250
  C      -6.763668      4.303267      6.637548
  C      -8.267475      4.088088      6.795523
  C      -8.984224      3.538927      5.586834
  N      -8.269375      3.134480      4.547801
  C      -8.938685      2.662693      3.458847
  N     -10.242112      2.554483      3.302932
  C     -11.007041      2.965060      4.361143
  C     -12.417080      2.883054      4.262872
  C     -13.208831      3.288057      5.317438
  C     -12.626001      3.788855      6.504597
  C     -11.254459      3.882436      6.623829
  C     -10.415625      3.473602      5.557887
  H      -3.598967      0.791411      2.961148
  H      -4.689855      1.882356      3.848893
  H      -5.165006     -0.032393      5.481947
  H      -4.379921     -1.117210      4.319257
  H      -6.761788     -1.140832      3.796299
  H      -6.883742      0.626992      3.957880
  H      -6.368322      2.419143     -0.045687
  H      -4.358799     -1.243383     -1.953138
  H      -3.770055     -3.532142     -1.140189
  H      -4.274028     -4.197328      1.204721
  H      -5.335413     -2.598703      2.761188
  H      -4.442529      5.819061      6.257486
  H      -2.920228      6.271723      7.034300
  H      -2.495719      7.954213      5.221775
  H      -3.999799      8.256497      6.111222
  H      -4.145450      8.498299      3.546302
  H      -3.813022      6.764787      3.448367
  H      -8.157543      7.821711      6.345173
  H      -9.724520      5.607350      2.637782
  H      -8.682735      4.770805      0.525404
  H      -6.257002      5.145052      0.096523
  H      -4.857926      6.318314      1.766013
  H      -6.116991      2.467976      7.601224
  H      -6.311012      2.371670      5.839214
  H      -6.418128      4.967683      7.445488
  H      -6.560457      4.817950      5.686770
  H      -8.469378      3.419193      7.653145
  H      -8.749949      5.044088      7.055504
  H      -8.300360      2.335945      2.631658
  H     -12.843777      2.494455      3.337087
  H     -14.294909      3.223952      5.237321
  H     -13.267469      4.105930      7.328427
  H     -10.812223      4.273052      7.540545
  N      -3.103743      3.466448      2.968845
  N      -3.062330      3.386434      1.618445
  H      -3.303137      2.451994      1.255148
  H      -3.638269      4.094747      1.155141
99
Coordinates from ORCA-job orca E -6259.037290129394
  N      -2.987700      1.360386      4.898771
  Mo     -3.481761      3.352153      4.740879
  N      -4.517000      3.231051      6.480701
  C      -3.699365      3.248196      7.690085
  C      -2.370425      2.508457      7.484271
  N      -1.651866      2.992723      6.277849
  C      -0.789713      1.962318      5.650066
  C      -1.597203      1.088879      4.648841
  C      -0.959368      4.283197      6.485915
  C      -1.314982      5.206232      5.310973
  N      -2.758668      5.217060      5.183265
  H      -1.296998      1.334993      3.606868
  H      -1.358086      0.018868      4.810891
  H       0.014673      2.481330      5.112669
  H      -0.316994      1.345727      6.434257
  H      -0.900926      6.217472      5.486564
  H      -0.858731      4.820700      4.382657
  H      -1.344231      4.732387      7.413068
  H       0.126805      4.132173      6.613916
  H      -4.224401      2.748582      8.527529
  H      -3.497840      4.285231      8.032093
  H      -2.579378      1.444183      7.324211
  H      -1.726901      2.617640      8.377621
  C      -4.001064      0.972697      3.971217
  C      -4.902782     -0.181856      4.413081
  C      -6.225183     -0.226931      3.613107
  C      -6.028047     -0.028405      2.135717
  N      -6.377889      1.151742      1.635575
  C      -6.120308      1.384272      0.320955
  N      -5.530824      0.579856     -0.540250
  C      -5.184194     -0.653338     -0.060051
  C      -4.563057     -1.581585     -0.930272
  C      -4.214950     -2.833723     -0.469987
  C      -4.476236     -3.209099      0.868323
  C      -5.075831     -2.321978      1.739290
  C      -5.435373     -1.024685      1.299105
  C      -3.416346      6.173677      6.059374
  C      -3.492322      7.574503      5.424535
  C      -4.250091      7.560535      4.098007
  C      -5.731772      7.307355      4.221410
  N      -6.345363      7.729807      5.321373
  C      -7.681199      7.505683      5.422420
  N      -8.470854      6.900755      4.557470
  C      -7.868104      6.455377      3.412913
  C      -8.647349      5.780996      2.441155
  C      -8.060039      5.312193      1.284375
  C      -6.680916      5.514031      1.046692
  C      -5.899401      6.172243      1.976102
  C      -6.468824      6.646458      3.185401
  C      -5.939832      3.018300      6.665538
  C      -6.770891      4.307221      6.630893
  C      -8.275232      4.091132      6.788963
  C      -8.989632      3.535160      5.581897
  N      -8.271382      3.118652      4.549750
  C      -8.938512      2.640695      3.462229
  N     -10.242420      2.537374      3.300848
  C     -11.010666      2.959839      4.352549
  C     -12.421445      2.882767      4.249398
  C     -13.216440      3.297852      5.297994
  C     -12.636310      3.804486      6.483673
  C     -11.264017      3.893984      6.607183
  C     -10.421853      3.474962      5.547696
  H      -3.614405      0.803356      2.945667
  H      -4.710207      1.870331      3.855651
  H      -5.141556     -0.058704      5.479018
  H      -4.346968     -1.126272      4.306858
  H      -6.737016     -1.182259      3.806318
  H      -6.878681      0.583014      3.963504
  H      -6.434869      2.365358     -0.050139
  H      -4.380086     -1.274938     -1.960716
  H      -3.737650     -3.547692     -1.143381
  H      -4.202469     -4.207892      1.210383
  H      -5.277930     -2.619127      2.768635
  H      -4.438784      5.827759      6.263515
  H      -2.913259      6.264106      7.044734
  H      -2.473081      7.952332      5.242488
  H      -3.976094      8.262466      6.133496
  H      -4.123591      8.524294      3.572923
  H      -3.797364      6.790824      3.458198
  H      -8.146506      7.865754      6.346164
  H      -9.708539      5.633547      2.647642
  H      -8.661921      4.776873      0.547758
  H      -6.233318      5.145260      0.121608
  H      -4.839440      6.335154      1.782799
  H      -6.119402      2.491654      7.624779
  H      -6.318431      2.361326      5.865937
  H      -6.427011      4.983557      7.429334
  H      -6.568632      4.808894      5.673272
  H      -8.476464      3.425799      7.649103
  H      -8.759101      5.047341      7.044159
  H      -8.297194      2.304982      2.640426
  H     -12.845895      2.489187      3.325042
  H     -14.303057      3.236848      5.214275
  H     -13.280030      4.129287      7.302886
  H     -10.824186      4.288733      7.522917
  N      -3.159111      3.490889      2.965727
  N      -3.155236      3.436693      1.612813
  H      -3.400520      2.506775      1.240399
  H      -3.756454      4.146255      1.183216
99
Coordinates from ORCA-job orca E -6259.037993597398
  N      -2.983209      1.380268      4.872301
  Mo     -3.500834      3.364768      4.741403
  N      -4.518085      3.230383      6.489524
  C      -3.691813      3.239474      7.693393
  C      -2.364531      2.500562      7.474670
  N      -1.650248      2.994587      6.271094
  C      -0.788005      1.971136      5.634714
  C      -1.592253      1.115339      4.617510
  C      -0.960576      4.284635      6.483993
  C      -1.321595      5.209962      5.313181
  N      -2.765549      5.223204      5.190796
  H      -1.293654      1.378693      3.579135
  H      -1.352629      0.043188      4.761370
  H       0.022508      2.494102      5.110731
  H      -0.324503      1.340455      6.413088
  H      -0.905634      6.220244      5.487619
  H      -0.870718      4.826528      4.381185
  H      -1.343002      4.729542      7.414001
  H       0.126708      4.136953      6.607151
  H      -4.211483      2.733359      8.529863
  H      -3.489599      4.273323      8.042898
  H      -2.574895      1.438468      7.305104
  H      -1.720075      2.599919      8.369060
  C      -4.002546      0.971749      3.956879
  C      -4.867719     -0.208794      4.403669
  C      -6.197086     -0.280056      3.615489
  C      -6.016376     -0.080686      2.136152
  N      -6.390469      1.093528      1.637184
  C      -6.153692      1.325041      0.319243
  N      -5.565757      0.523842     -0.547540
  C      -5.191867     -0.702118     -0.066663
  C      -4.569343     -1.625892     -0.941114
  C      -4.196147     -2.871763     -0.481083
  C      -4.433034     -3.245059      0.862069
  C      -5.032998     -2.361517      1.736620
  C      -5.418051     -1.071590      1.296104
  C      -3.420364      6.177395      6.071976
  C      -3.488930      7.583711      5.449748
  C      -4.246621      7.586905      4.121975
  C      -5.726941      7.331005      4.241664
  N      -6.343273      7.755051      5.339992
  C      -7.678492      7.527557      5.441986
  N      -8.465145      6.915237      4.580300
  C      -7.860626      6.466995      3.438395
  C      -8.636557      5.781576      2.471839
  C      -8.048202      5.310727      1.318026
  C      -6.670541      5.523063      1.074618
  C      -5.893152      6.190213      1.998774
  C      -6.463002      6.665171      3.207963
  C      -5.941050      3.016891      6.679080
  C      -6.772718      4.304313      6.628680
  C      -8.278525      4.093650      6.784446
  C      -8.990276      3.532121      5.578800
  N      -8.268748      3.089254      4.559798
  C      -8.932302      2.604966      3.473639
  N     -10.236271      2.519510      3.299674
  C     -11.007823      2.969837      4.337703
  C     -12.418709      2.913551      4.222180
  C     -13.217235      3.356204      5.256853
  C     -12.640410      3.871012      6.440541
  C     -11.267998      3.940263      6.575897
  C     -10.422371      3.492994      5.531220
  H      -3.627087      0.818993      2.924055
  H      -4.729502      1.850429      3.861143
  H      -5.096247     -0.097756      5.473053
  H      -4.289953     -1.138143      4.285492
  H      -6.691959     -1.241998      3.815954
  H      -6.860972      0.519847      3.968526
  H      -6.488385      2.300660     -0.051058
  H      -4.405976     -1.321600     -1.975550
  H      -3.718737     -3.581607     -1.158557
  H      -4.139951     -4.238016      1.205592
  H      -5.217100     -2.656996      2.769586
  H      -4.443279      5.832492      6.274079
  H      -2.915908      6.259200      7.058083
  H      -2.467556      7.957561      5.271841
  H      -3.970358      8.266964      6.164459
  H      -4.120781      8.557885      3.610929
  H      -3.792618      6.826564      3.472609
  H      -8.145250      7.891015      6.363209
  H      -9.696636      5.628874      2.679433
  H      -8.648302      4.767235      0.586275
  H      -6.222575      5.155908      0.149618
  H      -4.836286      6.366127      1.800946
  H      -6.120068      2.505093      7.646000
  H      -6.320168      2.347401      5.889766
  H      -6.428420      4.990133      7.418349
  H      -6.571794      4.795447      5.665945
  H      -8.484670      3.434666      7.647853
  H      -8.759119      5.053118      7.032225
  H      -8.287543      2.245610      2.664378
  H     -12.840511      2.512661      3.299731
  H     -14.303856      3.310960      5.163787
  H     -13.286124      4.217862      7.248759
  H     -10.831633      4.341358      7.490616
  N      -3.221058      3.521503      2.962865
  N      -3.266353      3.494444      1.611586
  H      -3.514781      2.572327      1.229652
  H      -3.895907      4.203532      1.219235
99
Coordinates from ORCA-job orca E -6259.038663743048
  N      -2.987037      1.399206      4.846548
  Mo     -3.524985      3.376075      4.741366
  N      -4.520133      3.234545      6.503506
  C      -3.683023      3.238010      7.699481
  C      -2.359501      2.494141      7.465970
  N      -1.649448      2.993617      6.262769
  C      -0.791392      1.972858      5.617069
  C      -1.597023      1.134748      4.587908
  C      -0.960353      4.283155      6.475141
  C      -1.328793      5.209136      5.307339
  N      -2.773173      5.226130      5.193764
  H      -1.299344      1.411687      3.552605
  H      -1.361843      0.059938      4.715934
  H       0.025500      2.496824      5.103946
  H      -0.336775      1.327791      6.388736
  H      -0.910174      6.218943      5.477393
  H      -0.885153      4.824947      4.371715
  H      -1.337512      4.725705      7.408665
  H       0.128459      4.138083      6.590236
  H      -4.197416      2.729710      8.538687
  H      -3.475367      4.269748      8.052867
  H      -2.575963      1.434196      7.288904
  H      -1.712582      2.582199      8.360054
  C      -4.011664      0.965857      3.944652
  C      -4.834961     -0.243836      4.396672
  C      -6.171645     -0.347571      3.623434
  C      -6.010351     -0.141557      2.142894
  N      -6.414090      1.025498      1.648355
  C      -6.194912      1.259100      0.328709
  N      -5.601510      0.466938     -0.544307
  C      -5.196360     -0.750330     -0.066834
  C      -4.563724     -1.663119     -0.946686
  C      -4.159429     -2.900890     -0.490140
  C      -4.374538     -3.276225      0.855608
  C      -4.983371     -2.402468      1.734738
  C      -5.400282     -1.121820      1.297365
  C      -3.421742      6.178940      6.082940
  C      -3.480687      7.591880      5.475689
  C      -4.235334      7.616447      4.145105
  C      -5.713785      7.355658      4.259497
  N      -6.330842      7.772294      5.360959
  C      -7.664114      7.538475      5.465261
  N      -8.448066      6.920992      4.605310
  C      -7.843665      6.479037      3.461334
  C      -8.617489      5.786144      2.498921
  C      -8.031848      5.327019      1.340521
  C      -6.659014      5.561454      1.085275
  C      -5.883360      6.231430      2.006861
  C      -6.449355      6.691632      3.224047
  C      -5.942491      3.020912      6.700567
  C      -6.775831      4.307094      6.627743
  C      -8.283058      4.101002      6.780903
  C      -8.992209      3.531730      5.577247
  N      -8.266729      3.066373      4.570523
  C      -8.925171      2.575607      3.485028
  N     -10.228940      2.503908      3.298499
  C     -11.005069      2.977831      4.323016
  C     -12.415895      2.938107      4.194313
  C     -13.219632      3.405000      5.214523
  C     -12.647750      3.928583      6.396708
  C     -11.275357      3.981507      6.545009
  C     -10.424386      3.509604      5.515450
  H      -3.648422      0.829897      2.904518
  H      -4.760270      1.822219      3.868469
  H      -5.049376     -0.147192      5.470564
  H      -4.233298     -1.156247      4.262972
  H      -6.643050     -1.319701      3.827978
  H      -6.849716      0.436655      3.983926
  H      -6.552799      2.227679     -0.038813
  H      -4.417228     -1.357790     -1.983005
  H      -3.674513     -3.601705     -1.172427
  H      -4.056968     -4.261722      1.198036
  H      -5.150377     -2.699185      2.769649
  H      -4.445566      5.835921      6.283689
  H      -2.915462      6.250405      7.070069
  H      -2.457125      7.961868      5.304041
  H      -3.960061      8.269477      6.197508
  H      -4.109951      8.596954      3.652615
  H      -3.778271      6.868788      3.483012
  H      -8.131704      7.900847      6.386339
  H      -9.674405      5.621097      2.711571
  H      -8.630917      4.779270      0.611376
  H      -6.215421      5.209839      0.152278
  H      -4.831413      6.427203      1.800126
  H      -6.120858      2.529677      7.678440
  H      -6.322184      2.333994      5.925702
  H      -6.431901      5.006226      7.406629
  H      -6.576432      4.784859      5.657063
  H      -8.494257      3.449245      7.648992
  H      -8.760703      5.064072      7.019523
  H      -8.276350      2.197258      2.687386
  H     -12.833809      2.529689      3.273339
  H     -14.306096      3.372655      5.111508
  H     -13.296813      4.294967      7.193571
  H     -10.844275      4.389699      7.459163
  N      -3.301972      3.547987      2.958164
  N      -3.409240      3.550614      1.611159
  H      -3.654543      2.636292      1.217197
  H      -4.075034      4.253265      1.268381
99
Coordinates from ORCA-job orca E -6259.039428363378
  N      -2.981359      1.422768      4.821011
  Mo     -3.543141      3.386986      4.744167
  N      -4.517975      3.233625      6.516823
  C      -3.673128      3.229880      7.706721
  C      -2.350996      2.487258      7.460320
  N      -1.644344      2.996540      6.261034
  C      -0.787720      1.981770      5.606620
  C      -1.592005      1.159930      4.563688
  C      -0.961888      4.287358      6.476429
  C      -1.337871      5.214751      5.312072
  N      -2.781994      5.231086      5.203499
  H      -1.291829      1.451282      3.532908
  H      -1.360470      0.083033      4.675995
  H       0.034484      2.508579      5.105671
  H      -0.340779      1.323502      6.371568
  H      -0.920348      6.225209      5.479901
  H      -0.897751      4.831456      4.374275
  H      -1.338326      4.723769      7.412999
  H       0.128292      4.149196      6.587053
  H      -4.182210      2.716505      8.545414
  H      -3.462641      4.258410      8.066453
  H      -2.570315      1.430138      7.272597
  H      -1.702807      2.563476      8.354819
  C      -4.006151      0.960862      3.929949
  C      -4.781827     -0.279744      4.384081
  C      -6.126281     -0.420283      3.630164
  C      -5.992842     -0.211108      2.147083
  N      -6.424802      0.949546      1.659239
  C      -6.230416      1.186575      0.336790
  N      -5.639621      0.403676     -0.546327
  C      -5.206534     -0.807032     -0.075766
  C      -4.574715     -1.710088     -0.965872
  C      -4.143403     -2.941667     -0.515693
  C      -4.329795     -3.319808      0.833854
  C      -4.936567     -2.455215      1.722683
  C      -5.381128     -1.181395      1.291934
  C      -3.429020      6.182307      6.097621
  C      -3.487712      7.598791      5.497424
  C      -4.245417      7.635353      4.167572
  C      -5.723115      7.369617      4.284433
  N      -6.337940      7.784825      5.388301
  C      -7.669527      7.545584      5.498789
  N      -8.453019      6.917956      4.645137
  C      -7.851018      6.477972      3.498908
  C      -8.624971      5.775871      2.542885
  C      -8.044385      5.326084      1.378145
  C      -6.677877      5.582155      1.109558
  C      -5.901108      6.256145      2.027260
  C      -6.460314      6.703762      3.251881
  C      -5.939921      3.020916      6.716930
  C      -6.767797      4.308679      6.631617
  C      -8.276740      4.113793      6.778020
  C      -8.980575      3.542408      5.573091
  N      -8.250897      3.047310      4.583679
  C      -8.902403      2.549215      3.497496
  N     -10.204304      2.499359      3.292991
  C     -10.984866      3.005360      4.298006
  C     -12.393676      2.990681      4.148865
  C     -13.202690      3.490099      5.148910
  C     -12.637784      4.021978      6.331254
  C     -11.267472      4.050100      6.499804
  C     -10.411160      3.545274      5.490750
  H      -3.652807      0.843647      2.884055
  H      -4.780219      1.791020      3.871985
  H      -4.980748     -0.200219      5.462366
  H      -4.153842     -1.171560      4.231929
  H      -6.569447     -1.404212      3.842177
  H      -6.819275      0.347289      4.000232
  H      -6.610177      2.149773     -0.024521
  H      -4.450008     -1.403293     -2.004877
  H      -3.659657     -3.634732     -1.206238
  H      -3.991257     -4.300053      1.171848
  H      -5.081729     -2.754235      2.760567
  H      -4.451976      5.837145      6.299076
  H      -2.921804      6.250878      7.084561
  H      -2.464388      7.969546      5.326119
  H      -3.965356      8.271793      6.224546
  H      -4.123868      8.623101      3.688187
  H      -3.787082      6.898173      3.494603
  H      -8.136792      7.912558      6.418701
  H      -9.678139      5.598700      2.763397
  H      -8.643340      4.773037      0.652838
  H      -6.241174      5.244772      0.167727
  H      -4.853490      6.466385      1.811542
  H      -6.120168      2.541575      7.699951
  H      -6.321199      2.326758      5.949841
  H      -6.423534      5.012141      7.405741
  H      -6.562459      4.777917      5.658007
  H      -8.498911      3.467962      7.648118
  H      -8.747953      5.081780      7.008717
  H      -8.250122      2.143700      2.716398
  H     -12.806311      2.574702      3.228368
  H     -14.287626      3.477452      5.030218
  H     -13.290580      4.414343      7.112219
  H     -10.842749      4.465361      7.414217
  N      -3.374248      3.577541      2.957854
  N      -3.545160      3.605324      1.619144
  H      -3.796299      2.696099      1.218615
  H      -4.241659      4.300117      1.325314
99
Coordinates from ORCA-job orca E -6259.040412374476
  N      -3.018597      1.402601      4.826830
  Mo     -3.553597      3.399119      4.733857
  N      -4.532925      3.273082      6.532995
  C      -3.690625      3.266409      7.738823
  C      -2.370634      2.494140      7.512505
  N      -1.636186      2.975077      6.305512
  C      -0.798535      1.923638      5.659568
  C      -1.614636      1.104612      4.603608
  C      -0.935233      4.269555      6.506736
  C      -1.289713      5.204097      5.324823
  N      -2.746697      5.246752      5.188161
  H      -1.284200      1.375246      3.574674
  H      -1.408449      0.022391      4.731713
  H       0.045277      2.421865      5.161066
  H      -0.376263      1.259479      6.433332
  H      -0.855247      6.208632      5.492871
  H      -0.838522      4.809212      4.396120
  H      -1.315286      4.725506      7.433943
  H       0.153132      4.116512      6.629446
  H      -4.213654      2.765740      8.581642
  H      -3.468979      4.298183      8.089318
  H      -2.609818      1.436327      7.336264
  H      -1.728345      2.567841      8.412044
  C      -4.045666      0.924097      3.920447
  C      -4.826113     -0.316309      4.377917
  C      -6.167991     -0.449791      3.618905
  C      -6.019241     -0.224187      2.139986
  N      -6.452944      0.937346      1.665553
  C      -6.253795      1.193807      0.345722
  N      -5.651745      0.427355     -0.544650
  C      -5.212656     -0.783118     -0.086980
  C      -4.566292     -1.667793     -0.985438
  C      -4.125667     -2.897380     -0.549207
  C      -4.316190     -3.294355      0.794102
  C      -4.939225     -2.449177      1.692035
  C      -5.393453     -1.176574      1.275376
  C      -3.387851      6.218539      6.064422
  C      -3.422888      7.629882      5.452315
  C      -4.169590      7.676061      4.116342
  C      -5.654061      7.438705      4.216151
  N      -6.270845      7.864319      5.313380
  C      -7.607497      7.647126      5.412123
  N      -8.393710      7.028251      4.556606
  C      -7.790977      6.576795      3.416728
  C      -8.568376      5.881021      2.459436
  C      -7.989431      5.421595      1.298226
  C      -6.619709      5.662352      1.033437
  C      -5.837040      6.329038      1.953466
  C      -6.395477      6.784434      3.176928
  C      -5.961715      3.073012      6.748653
  C      -6.810326      4.350079      6.659382
  C      -8.315122      4.109867      6.817951
  C      -9.011953      3.513804      5.617446
  N      -8.268414      3.053375      4.621210
  C      -8.909332      2.540794      3.536076
  N     -10.212341      2.443107      3.341625
  C     -11.008174      2.911655      4.355349
  C     -12.419696      2.845380      4.215280
  C     -13.243274      3.306301      5.223654
  C     -12.691085      3.849328      6.404519
  C     -11.318006      3.928534      6.563781
  C     -10.446963      3.464162      5.546322
  H      -3.680771      0.800140      2.876855
  H      -4.831951      1.747755      3.845154
  H      -5.033676     -0.238078      5.457446
  H      -4.195268     -1.209879      4.229852
  H      -6.610710     -1.434211      3.825548
  H      -6.864515      0.312849      3.988398
  H      -6.638027      2.157370     -0.004586
  H      -4.437842     -1.347466     -2.018937
  H      -3.629499     -3.575581     -1.246528
  H      -3.968755     -4.273206      1.120749
  H      -5.087120     -2.762000      2.724667
  H      -4.419907      5.896638      6.260352
  H      -2.888676      6.286198      7.056562
  H      -2.390751      7.980178      5.287416
  H      -3.895322      8.317310      6.170987
  H      -4.025188      8.660475      3.639104
  H      -3.719942      6.931036      3.447628
  H      -8.076694      8.026118      6.324913
  H      -9.624938      5.716982      2.677268
  H      -8.591852      4.873479      0.573032
  H      -6.183808      5.318631      0.094398
  H      -4.786779      6.526114      1.739258
  H      -6.129659      2.603168      7.739006
  H      -6.349115      2.367351      5.993314
  H      -6.473882      5.065527      7.428834
  H      -6.620586      4.818201      5.681385
  H      -8.505521      3.456050      7.689731
  H      -8.817178      5.061461      7.052601
  H      -8.245931      2.163753      2.748190
  H     -12.822016      2.422264      3.296354
  H     -14.329573      3.253382      5.111166
  H     -13.355519      4.210191      7.192222
  H     -10.902393      4.351212      7.476469
  N      -3.400145      3.566751      2.949171
  N      -3.608494      3.602645      1.609155
  H      -3.870740      2.690693      1.205177
  H      -4.307166      4.303745      1.344283
99
Coordinates from ORCA-job orca E -6259.040977967876
  N      -3.016808      1.421534      4.808593
  Mo     -3.565737      3.410522      4.737206
  N      -4.531389      3.267586      6.539085
  C      -3.683316      3.254065      7.740615
  C      -2.362506      2.488971      7.502787
  N      -1.634017      2.981683      6.299173
  C      -0.797224      1.938486      5.642478
  C      -1.613950      1.131164      4.577605
  C      -0.939291      4.276302      6.507856
  C      -1.300683      5.215555      5.333131
  N      -2.757428      5.255114      5.201752
  H      -1.287976      1.417062      3.551826
  H      -1.403902      0.048486      4.690021
  H       0.046512      2.441262      5.150180
  H      -0.375395      1.266032      6.409081
  H      -0.868814      6.220558      5.504079
  H      -0.852432      4.825546      4.401294
  H      -1.319922      4.723448      7.438640
  H       0.149459      4.128732      6.628600
  H      -4.200623      2.746242      8.580996
  H      -3.462284      4.283044      8.097856
  H      -2.600023      1.433045      7.317600
  H      -1.717027      2.556085      8.400476
  C      -4.044420      0.933171      3.907849
  C      -4.801566     -0.321408      4.363079
  C      -6.145722     -0.476654      3.612950
  C      -6.014088     -0.253587      2.131991
  N      -6.465897      0.902321      1.658876
  C      -6.280186      1.160115      0.337470
  N      -5.676124      0.400419     -0.556237
  C      -5.220948     -0.805636     -0.101105
  C      -4.573232     -1.684112     -1.003749
  C      -4.117373     -2.909369     -0.569365
  C      -4.293374     -3.307859      0.775599
  C      -4.916768     -2.468717      1.677801
  C      -5.386555     -1.200270      1.263518
  C      -3.397630      6.223420      6.085136
  C      -3.434242      7.635020      5.471433
  C      -4.179291      7.673109      4.135425
  C      -5.663809      7.432695      4.235581
  N      -6.286403      7.883121      5.319251
  C      -7.622785      7.667259      5.417672
  N      -8.403307      7.025384      4.574805
  C      -7.794196      6.548175      3.448230
  C      -8.566177      5.830037      2.503519
  C      -7.981596      5.347454      1.353717
  C      -6.612108      5.586018      1.090028
  C      -5.833762      6.272672      1.999424
  C      -6.398212      6.753514      3.209292
  C      -5.960009      3.072553      6.756897
  C      -6.798794      4.353980      6.658889
  C      -8.305038      4.126580      6.814516
  C      -8.999333      3.527497      5.614055
  N      -8.253809      3.042385      4.631303
  C      -8.890956      2.522269      3.546656
  N     -10.192609      2.440636      3.340811
  C     -10.990503      2.935353      4.339532
  C     -12.400457      2.887035      4.185296
  C     -13.226430      3.374691      5.178375
  C     -12.678230      3.927047      6.357841
  C     -11.306777      3.988767      6.531077
  C     -10.433241      3.497037      5.529026
  H      -3.686212      0.820770      2.861303
  H      -4.842558      1.744563      3.844555
  H      -5.004318     -0.251125      5.443615
  H      -4.157359     -1.203657      4.207912
  H      -6.570726     -1.468366      3.824650
  H      -6.851382      0.276418      3.986756
  H      -6.678711      2.119158     -0.010855
  H      -4.455872     -1.362952     -2.038387
  H      -3.620412     -3.583079     -1.269647
  H      -3.934251     -4.283797      1.100046
  H      -5.053656     -2.782932      2.711801
  H      -4.429411      5.900923      6.282361
  H      -2.898306      6.289685      7.076948
  H      -2.403391      7.987623      5.306153
  H      -3.907989      8.323726      6.187133
  H      -4.037598      8.656100      3.653531
  H      -3.726481      6.926468      3.471308
  H      -8.098943      8.072638      6.315693
  H      -9.622886      5.668139      2.721122
  H      -8.579508      4.783054      0.637590
  H      -6.172467      5.224643      0.159339
  H      -4.781737      6.462781      1.787220
  H      -6.129859      2.607887      7.749122
  H      -6.350598      2.366234      6.004542
  H      -6.459743      5.072058      7.424530
  H      -6.600510      4.812671      5.677677
  H      -8.504612      3.479509      7.690015
  H      -8.800465      5.083542      7.041133
  H      -8.226214      2.124242      2.770855
  H     -12.799830      2.456058      3.267822
  H     -14.311591      3.335867      5.054924
  H     -13.344763      4.309110      7.133283
  H     -10.894188      4.419098      7.442348
  N      -3.447904      3.597242      2.950727
  N      -3.692272      3.645607      1.616032
  H      -3.980856      2.735746      1.221504
  H      -4.404154      4.346412      1.384969
99
Coordinates from ORCA-job orca E -6259.042301816459
  N      -2.991409      1.426278      4.797942
  Mo     -3.564841      3.397254      4.740423
  N      -4.519994      3.242910      6.539722
  C      -3.668998      3.229536      7.737240
  C      -2.344855      2.477055      7.491151
  N      -1.625047      2.983847      6.291851
  C      -0.780321      1.954680      5.630142
  C      -1.590622      1.149035      4.561984
  C      -0.945658      4.282825      6.503803
  C      -1.317586      5.216411      5.330239
  N      -2.772320      5.242673      5.204614
  H      -1.271335      1.447695      3.538447
  H      -1.373073      0.068081      4.664601
  H       0.057740      2.468031      5.141119
  H      -0.353534      1.281320      6.392855
  H      -0.895374      6.225472      5.495757
  H      -0.871603      4.825729      4.397812
  H      -1.329166      4.721490      7.437017
  H       0.144574      4.148806      6.621030
  H      -4.180937      2.716651      8.575994
  H      -3.452674      4.257378      8.097823
  H      -2.574855      1.422106      7.297268
  H      -1.699664      2.541577      8.389005
  C      -4.015648      0.919039      3.905007
  C      -4.742962     -0.351505      4.361320
  C      -6.090303     -0.532437      3.622857
  C      -5.979445     -0.308979      2.140107
  N      -6.444189      0.845008      1.672175
  C      -6.270016      1.105869      0.350082
  N      -5.669902      0.351223     -0.550091
  C      -5.205157     -0.853998     -0.100858
  C      -4.562097     -1.728029     -1.010404
  C      -4.097411     -2.952808     -0.581552
  C      -4.259269     -3.354248      0.764738
  C      -4.876291     -2.518806      1.673522
  C      -5.355648     -1.251424      1.265021
  C      -3.416776      6.205920      6.093321
  C      -3.466689      7.619269      5.483830
  C      -4.228481      7.659803      4.155613
  C      -5.712866      7.423297      4.277614
  N      -6.318783      7.883808      5.366977
  C      -7.656781      7.678767      5.482266
  N      -8.453872      7.039462      4.650020
  C      -7.861710      6.556828      3.516037
  C      -8.653767      5.851064      2.577426
  C      -8.089359      5.371504      1.415781
  C      -6.720741      5.598401      1.136875
  C      -5.922235      6.267857      2.042483
  C      -6.465728      6.748892      3.261102
  C      -5.948445      3.052552      6.754355
  C      -6.771220      4.343435      6.652382
  C      -8.280745      4.142590      6.794043
  C      -8.972302      3.555875      5.587743
  N      -8.228517      3.041538      4.618766
  C      -8.864089      2.522442      3.532785
  N     -10.164031      2.470156      3.311727
  C     -10.959611      2.997087      4.294282
  C     -12.367368      2.979767      4.124008
  C     -13.191765      3.499652      5.100916
  C     -12.643884      4.054828      6.280260
  C     -11.274904      4.085637      6.469613
  C     -10.403099      3.560054      5.484239
  H      -3.663024      0.814539      2.856539
  H      -4.827103      1.714364      3.850336
  H      -4.936035     -0.289082      5.443461
  H      -4.083765     -1.220087      4.196029
  H      -6.496416     -1.531518      3.838498
  H      -6.804988      0.210233      4.002910
  H      -6.674051      2.064695      0.007196
  H      -4.454938     -1.404480     -2.045926
  H      -3.604695     -3.623277     -1.287244
  H      -3.893741     -4.329689      1.084815
  H      -5.002338     -2.835396      2.708628
  H      -4.444564      5.873085      6.294504
  H      -2.912899      6.274331      7.082192
  H      -2.439923      7.979512      5.308444
  H      -3.937212      8.301665      6.208245
  H      -4.091086      8.644631      3.675401
  H      -3.785146      6.914355      3.482563
  H      -8.120839      8.095761      6.381770
  H      -9.709664      5.699095      2.806494
  H      -8.702634      4.819210      0.702310
  H      -6.298648      5.241826      0.195625
  H      -4.869727      6.443437      1.820584
  H      -6.126424      2.588656      7.745776
  H      -6.340058      2.351280      5.998700
  H      -6.429010      5.056690      7.420235
  H      -6.558372      4.799624      5.673251
  H      -8.501838      3.500291      7.667478
  H      -8.760102      5.108621      7.015629
  H      -8.200845      2.098474      2.769952
  H     -12.766761      2.545250      3.207030
  H     -14.275558      3.484501      4.965647
  H     -13.308914      4.462980      7.042837
  H     -10.863270      4.518340      7.381125
  N      -3.465590      3.593717      2.952092
  N      -3.736179      3.641776      1.624247
  H      -4.030557      2.733689      1.238045
  H      -4.457889      4.337374      1.407377
99
Coordinates from ORCA-job orca E -6259.043173320993
  N      -2.984010      1.435912      4.784497
  Mo     -3.570424      3.402740      4.732790
  N      -4.518324      3.239749      6.528144
  C      -3.664046      3.225181      7.722063
  C      -2.340467      2.477168      7.469970
  N      -1.625717      2.989484      6.271512
  C      -0.778609      1.968001      5.606499
  C      -1.585870      1.170850      4.535190
  C      -0.947257      4.284806      6.488164
  C      -1.317923      5.214994      5.318628
  N      -2.770318      5.238934      5.201271
  H      -1.275932      1.482893      3.512924
  H      -1.358825      0.090752      4.625644
  H       0.059963      2.484661      5.121667
  H      -0.352998      1.290853      6.366645
  H      -0.895892      6.224307      5.481671
  H      -0.877105      4.823130      4.384468
  H      -1.332289      4.721096      7.421894
  H       0.142925      4.150702      6.606549
  H      -4.173301      2.710875      8.561060
  H      -3.448549      4.253266      8.082096
  H      -2.568216      1.422188      7.273640
  H      -1.692583      2.541402      8.365764
  C      -4.005713      0.922508      3.902510
  C      -4.717889     -0.352715      4.364049
  C      -6.066447     -0.547796      3.632158
  C      -5.965634     -0.338955      2.146679
  N      -6.436981      0.808004      1.668458
  C      -6.270692      1.055098      0.342120
  N      -5.671157      0.294326     -0.552463
  C      -5.199875     -0.904368     -0.092626
  C      -4.557044     -1.784704     -0.996065
  C      -4.085405     -3.003111     -0.556404
  C      -4.239612     -3.391726      0.794635
  C      -4.856102     -2.549777      1.697744
  C      -5.342299     -1.288061      1.278262
  C      -3.410358      6.192162      6.101178
  C      -3.457729      7.609432      5.504433
  C      -4.234358      7.657557      4.184656
  C      -5.718495      7.427103      4.326166
  N      -6.306032      7.884735      5.426885
  C      -7.643544      7.684336      5.559157
  N      -8.456685      7.054786      4.732862
  C      -7.883494      6.577312      3.587106
  C      -8.693945      5.885199      2.653530
  C      -8.148303      5.407651      1.481810
  C      -6.780058      5.619404      1.189877
  C      -5.964281      6.278793      2.088668
  C      -6.488782      6.760448      3.315925
  C      -5.946530      3.054414      6.746730
  C      -6.767300      4.345547      6.623525
  C      -8.277108      4.147140      6.758893
  C      -8.963887      3.562683      5.549135
  N      -8.217521      3.045074      4.583771
  C      -8.850044      2.531751      3.493399
  N     -10.148948      2.488217      3.265902
  C     -10.946441      3.018385      4.244949
  C     -12.352986      3.009739      4.068019
  C     -13.178622      3.532714      5.042114
  C     -12.633674      4.083458      6.224650
  C     -11.266219      4.106810      6.419979
  C     -10.393218      3.576504      5.438151
  H      -3.657797      0.820091      2.852899
  H      -4.821222      1.713868      3.856811
  H      -4.910219     -0.287420      5.445732
  H      -4.053536     -1.216818      4.199808
  H      -6.465099     -1.548061      3.857223
  H      -6.783631      0.193900      4.009718
  H      -6.678919      2.008377     -0.009695
  H      -4.455889     -1.470517     -2.035243
  H      -3.592455     -3.678976     -1.256929
  H      -3.868827     -4.362964      1.122266
  H      -4.976096     -2.856461      2.736639
  H      -4.439321      5.861377      6.298392
  H      -2.905858      6.247389      7.089824
  H      -2.431692      7.968808      5.321733
  H      -3.918671      8.287950      6.239180
  H      -4.098646      8.643394      3.706184
  H      -3.802884      6.911733      3.503620
  H      -8.091285      8.093079      6.470844
  H      -9.748365      5.740824      2.895321
  H      -8.775094      4.864257      0.772681
  H      -6.371784      5.258731      0.243745
  H      -4.912389      6.442591      1.854809
  H      -6.122613      2.605975      7.745370
  H      -6.338543      2.341056      6.001940
  H      -6.429131      5.067835      7.384677
  H      -6.547943      4.789339      5.640009
  H      -8.502807      3.505417      7.630966
  H      -8.756462      5.113652      6.977729
  H      -8.185758      2.103640      2.733438
  H     -12.750061      2.578977      3.148421
  H     -14.261591      3.523574      4.902118
  H     -13.300001      4.494549      6.984658
  H     -10.856110      4.536473      7.333424
  N      -3.495710      3.607986      2.944741
  N      -3.781562      3.664578      1.616564
  H      -4.081432      2.757801      1.236490
  H      -4.513884      4.354687      1.417636
99
Coordinates from ORCA-job orca E -6259.044085616747
  N      -2.964216      1.451127      4.766558
  Mo     -3.569931      3.398205      4.736796
  N      -4.505814      3.223847      6.529727
  C      -3.647981      3.206832      7.716910
  C      -2.324675      2.467052      7.454133
  N      -1.617105      2.992550      6.261462
  C      -0.765610      1.983583      5.588665
  C      -1.569253      1.197140      4.509513
  C      -0.950000      4.291179      6.480084
  C      -1.332440      5.216508      5.311023
  N      -2.782761      5.232943      5.203740
  H      -1.264989      1.527299      3.491709
  H      -1.337524      0.117257      4.582833
  H       0.071104      2.508855      5.110394
  H      -0.338395      1.299461      6.342006
  H      -0.915329      6.229215      5.464521
  H      -0.898347      4.820088      4.375958
  H      -1.333787      4.721096      7.417020
  H       0.142142      4.167898      6.592342
  H      -4.152455      2.688508      8.554935
  H      -3.433614      4.233546      8.080164
  H      -2.549287      1.413717      7.247496
  H      -1.676074      2.524578      8.349912
  C      -3.986693      0.918915      3.895557
  C      -4.662986     -0.374385      4.358753
  C      -6.015505     -0.595828      3.643308
  C      -5.936397     -0.393624      2.155443
  N      -6.426858      0.746422      1.676691
  C      -6.281360      0.986528      0.347034
  N      -5.688710      0.225412     -0.551386
  C      -5.198885     -0.966520     -0.090968
  C      -4.562605     -1.847500     -0.998222
  C      -4.072549     -3.059468     -0.557544
  C      -4.201230     -3.440177      0.798469
  C      -4.810709     -2.597127      1.705112
  C      -5.315871     -1.342199      1.284528
  C      -3.423960      6.179294      6.109810
  C      -3.483965      7.599740      5.522702
  C      -4.277826      7.655911      4.213248
  C      -5.760154      7.427639      4.374992
  N      -6.332251      7.882919      5.485382
  C      -7.667582      7.683115      5.635024
  N      -8.492337      7.056472      4.817293
  C      -7.935166      6.583619      3.661596
  C      -8.759408      5.899150      2.734415
  C      -8.230171      5.429004      1.551932
  C      -6.865288      5.639553      1.244347
  C      -6.036774      6.290554      2.136964
  C      -6.544099      6.765133      3.373585
  C      -5.932970      3.040555      6.746025
  C      -6.744323      4.336746      6.614154
  C      -8.256653      4.155029      6.737721
  C      -8.938904      3.577326      5.522690
  N      -8.191249      3.034284      4.572220
  C      -8.818588      2.525787      3.477247
  N     -10.114109      2.512950      3.229384
  C     -10.912299      3.071723      4.190914
  C     -12.314398      3.098875      3.990920
  C     -13.141019      3.651309      4.947137
  C     -12.601465      4.197128      6.134551
  C     -11.238542      4.186174      6.352257
  C     -10.364356      3.625167      5.388951
  H      -3.649161      0.827949      2.842011
  H      -4.813330      1.690347      3.864075
  H      -4.842434     -0.318392      5.442592
  H      -3.983409     -1.223372      4.181357
  H      -6.395197     -1.601871      3.877000
  H      -6.740406      0.136983      4.025342
  H      -6.703733      1.934445     -0.004641
  H      -4.480828     -1.539313     -2.041078
  H      -3.584896     -3.736017     -1.261058
  H      -3.816339     -4.406412      1.126869
  H      -4.911460     -2.897879      2.748044
  H      -4.448675      5.838643      6.311259
  H      -2.913431      6.233864      7.094650
  H      -2.462576      7.966479      5.330033
  H      -3.939280      8.269665      6.268214
  H      -4.147066      8.645269      3.740233
  H      -3.856103      6.914315      3.521363
  H      -8.102796      8.088466      6.554707
  H      -9.810588      5.754637      2.988647
  H      -8.867057      4.891940      0.847058
  H      -6.470922      5.285705      0.289539
  H      -4.986832      6.451628      1.891318
  H      -6.114481      2.597001      7.745665
  H      -6.324722      2.326669      6.001656
  H      -6.404656      5.059187      7.374206
  H      -6.514917      4.775559      5.630254
  H      -8.498399      3.517243      7.608680
  H      -8.725775      5.127864      6.950815
  H      -8.154631      2.072011      2.732355
  H     -12.707341      2.671255      3.067937
  H     -14.220577      3.669908      4.789730
  H     -13.268352      4.632314      6.880232
  H     -10.833009      4.613533      7.269001
  N      -3.532470      3.618125      2.947788
  N      -3.857484      3.678442      1.630161
  H      -4.167477      2.773512      1.256927
  H      -4.597106      4.366911      1.453944
99
Coordinates from ORCA-job orca E -6259.044604312948
  N      -2.955725      1.460455      4.752026
  Mo     -3.573028      3.398533      4.736502
  N      -4.499782      3.217216      6.528969
  C      -3.638166      3.197265      7.711727
  C      -2.315968      2.460575      7.441326
  N      -1.612318      2.992637      6.251037
  C      -0.760239      1.989869      5.572967
  C      -1.562684      1.213704      4.487930
  C      -0.948885      4.291106      6.471396
  C      -1.335648      5.213957      5.303931
  N      -2.784691      5.228992      5.203892
  H      -1.262643      1.556788      3.473307
  H      -1.327418      0.133946      4.548291
  H       0.077785      2.517977      5.100315
  H      -0.335014      1.299408      6.321717
  H      -0.919006      6.227492      5.452600
  H      -0.906487      4.815021      4.367762
  H      -1.332106      4.718384      7.409725
  H       0.143913      4.171353      6.581434
  H      -4.139517      2.676686      8.549687
  H      -3.423136      4.223104      8.076659
  H      -2.540445      1.408439      7.229181
  H      -1.665529      2.513368      8.336129
  C      -3.978190      0.916353      3.890569
  C      -4.629879     -0.387862      4.356802
  C      -5.984056     -0.628626      3.651370
  C      -5.917418     -0.435046      2.161666
  N      -6.418289      0.699104      1.679043
  C      -6.284432      0.931081      0.346568
  N      -5.695121      0.167440     -0.551343
  C      -5.194972     -1.018799     -0.086853
  C      -4.561994     -1.902394     -0.993509
  C      -4.061625     -3.108837     -0.548516
  C      -4.176243     -3.481046      0.811267
  C      -4.782173     -2.635163      1.717315
  C      -5.297932     -1.385627      1.292304
  C      -3.423660      6.170864      6.115146
  C      -3.486652      7.593129      5.534073
  C      -4.295600      7.655491      4.233726
  C      -5.777565      7.437198      4.414080
  N      -6.331652      7.893907      5.533097
  C      -7.666901      7.704255      5.698594
  N      -8.507810      7.088100      4.888344
  C      -7.969177      6.615661      3.723572
  C      -8.811769      5.944855      2.802720
  C      -8.301764      5.476319      1.610945
  C      -6.938279      5.673820      1.288842
  C      -6.092228      6.311596      2.174856
  C      -6.579548      6.784890      3.419863
  C      -5.926942      3.039458      6.747734
  C      -6.733826      4.337387      6.603853
  C      -8.247022      4.160611      6.716414
  C      -8.921028      3.586041      5.495821
  N      -8.168326      3.033571      4.554949
  C      -8.788259      2.526696      3.455210
  N     -10.081039      2.524600      3.193739
  C     -10.884003      3.093622      4.144510
  C     -12.283317      3.132901      3.929381
  C     -13.114401      3.696862      4.874421
  C     -12.582325      4.242902      6.065288
  C     -11.222508      4.220111      6.297762
  C     -10.343845      3.646634      5.346355
  H      -3.648160      0.832146      2.834359
  H      -4.812981      1.675868      3.869625
  H      -4.802729     -0.335642      5.441744
  H      -3.939987     -1.226834      4.173207
  H      -6.350900     -1.637780      3.892765
  H      -6.714615      0.098564      4.034037
  H      -6.713868      1.874608     -0.008194
  H      -4.491074     -1.600540     -2.039168
  H      -3.576616     -3.787701     -1.251368
  H      -3.783417     -4.443242      1.142753
  H      -4.872312     -2.929608      2.763191
  H      -4.447629      5.828617      6.318312
  H      -2.909898      6.221754      7.098402
  H      -2.466884      7.959775      5.331821
  H      -3.932761      8.260637      6.287497
  H      -4.164218      8.645302      3.761639
  H      -3.887011      6.912871      3.534829
  H      -8.087255      8.109584      6.625190
  H      -9.861309      5.809670      3.068892
  H      -8.952536      4.950033      0.910464
  H      -6.559183      5.320662      0.327467
  H      -5.043646      6.462186      1.916849
  H      -6.109321      2.605125      7.751137
  H      -6.320613      2.320424      6.009210
  H      -6.397770      5.062745      7.362303
  H      -6.495947      4.770369      5.619455
  H      -8.497343      3.522920      7.584774
  H      -8.714596      5.134749      6.926393
  H      -8.121069      2.063581      2.719145
  H     -12.670498      2.705036      3.003850
  H     -14.191875      3.724791      4.705583
  H     -13.252670      4.687770      6.801727
  H     -10.822580      4.648177      7.216778
  N      -3.568626      3.627620      2.948588
  N      -3.924741      3.693480      1.637974
  H      -4.244702      2.789883      1.272282
  H      -4.672617      4.378769      1.485022
99
Coordinates from ORCA-job orca E -6259.045102223055
  N      -2.950900      1.469749      4.738786
  Mo     -3.577068      3.399879      4.738417
  N      -4.494545      3.212414      6.531529
  C      -3.628794      3.188899      7.709705
  C      -2.308418      2.453754      7.431398
  N      -1.608329      2.991514      6.243266
  C      -0.757094      1.993596      5.559547
  C      -1.559638      1.228216      4.468705
  C      -0.947269      4.289625      6.464999
  C      -1.338182      5.210869      5.299036
  N      -2.786301      5.226141      5.205783
  H      -1.262768      1.583257      3.457445
  H      -1.322622      0.148402      4.516544
  H       0.082669      2.523624      5.092323
  H      -0.334300      1.296351      6.303439
  H      -0.921116      6.224876      5.442924
  H      -0.914055      4.809156      4.361839
  H      -1.329188      4.714580      7.404856
  H       0.146108      4.172425      6.572422
  H      -4.127191      2.666397      8.547724
  H      -3.412047      4.213622      8.076455
  H      -2.534042      1.403079      7.213779
  H      -1.655864      2.500996      8.325020
  C      -3.973971      0.914687      3.886175
  C      -4.601678     -0.400193      4.354253
  C      -5.956978     -0.659745      3.658253
  C      -5.901710     -0.474825      2.166879
  N      -6.412247      0.653537      1.680061
  C      -6.288937      0.876971      0.344998
  N      -5.702971      0.110092     -0.551928
  C      -5.193131     -1.070459     -0.083057
  C      -4.563090     -1.957167     -0.988637
  C      -4.052727     -3.157945     -0.538939
  C      -4.154038     -3.520986      0.824518
  C      -4.756898     -2.671812      1.729448
  C      -5.282967     -1.427850      1.299599
  C      -3.422474      6.166067      6.119724
  C      -3.485991      7.588864      5.541641
  C      -4.307198      7.655394      4.249181
  C      -5.788869      7.448567      4.445763
  N      -6.325501      7.905284      5.573390
  C      -7.660665      7.727663      5.752980
  N      -8.517444      7.125306      4.948288
  C      -7.996960      6.654869      3.774360
  C      -8.858248      6.002900      2.857214
  C      -8.367114      5.537495      1.656157
  C      -7.004315      5.718701      1.322077
  C      -6.140625      6.339041      2.203651
  C      -6.608401      6.809454      3.457003
  C      -5.921426      3.039225      6.753750
  C      -6.725398      4.338127      6.599410
  C      -8.239163      4.163281      6.700326
  C      -8.903669      3.592558      5.473094
  N      -8.144136      3.038020      4.538891
  C      -8.755284      2.533695      3.433335
  N     -10.045621      2.536637      3.159805
  C     -10.855233      3.108547      4.102636
  C     -12.252044      3.154643      3.873580
  C     -13.089428      3.723224      4.809922
  C     -12.566464      4.267343      6.005701
  C     -11.209519      4.237674      6.251921
  C     -10.324420      3.659321      5.309667
  H      -3.651754      0.837695      2.827237
  H      -4.816451      1.662381      3.876125
  H      -4.767748     -0.352483      5.440306
  H      -3.901839     -1.229053      4.163825
  H      -6.311295     -1.671693      3.907011
  H      -6.693191      0.061810      4.041287
  H      -6.724793      1.816253     -0.013137
  H      -4.502358     -1.662088     -2.037024
  H      -3.569971     -3.839462     -1.240753
  H      -3.753414     -4.478960      1.159484
  H      -4.836905     -2.959434      2.778199
  H      -4.446153      5.823828      6.324338
  H      -2.906401      6.214995      7.101745
  H      -2.467320      7.953938      5.330980
  H      -3.923402      8.255983      6.300338
  H      -4.173529      8.644551      3.776214
  H      -3.911183      6.910197      3.545713
  H      -8.066332      8.131479      6.686838
  H      -9.906844      5.880383      3.133066
  H      -9.032148      5.026223      0.957871
  H      -6.640110      5.367738      0.354085
  H      -5.093118      6.477573      1.934726
  H      -6.103781      2.613320      7.760685
  H      -6.317061      2.315188      6.020973
  H      -6.394081      5.065938      7.357392
  H      -6.479896      4.767087      5.615108
  H      -8.496789      3.523611      7.564931
  H      -8.707295      5.137384      6.908906
  H      -8.083425      2.066814      2.703996
  H     -12.632200      2.728406      2.944329
  H     -14.164914      3.756706      4.630425
  H     -13.241755      4.716401      6.734839
  H     -10.816423      4.664964      7.174269
  N      -3.606760      3.638215      2.952247
  N      -3.993830      3.710504      1.649604
  H      -4.321224      2.807967      1.289805
  H      -4.748862      4.392720      1.520008
99
Coordinates from ORCA-job orca E -6259.045582296670
  N      -2.947928      1.476906      4.725984
  Mo     -3.581701      3.400265      4.739093
  N      -4.490056      3.208698      6.533768
  C      -3.620048      3.182318      7.707682
  C      -2.301695      2.447664      7.422236
  N      -1.604648      2.989370      6.235308
  C      -0.754899      1.994828      5.546613
  C      -1.558047      1.239480      4.450615
  C      -0.945109      4.287152      6.457273
  C      -1.339739      5.206562      5.292314
  N      -2.787197      5.222598      5.205316
  H      -1.263927      1.604879      3.442366
  H      -1.319974      0.159578      4.487339
  H       0.087062      2.525582      5.084220
  H      -0.335031      1.291258      6.286230
  H      -0.921797      6.220840      5.431542
  H      -0.920267      4.802087      4.354254
  H      -1.325462      4.710876      7.398306
  H       0.148777      4.171887      6.562098
  H      -4.115605      2.658777      8.546451
  H      -3.401164      4.206242      8.075292
  H      -2.529114      1.398279      7.200411
  H      -1.647029      2.489980      8.314623
  C      -3.971612      0.910949      3.882046
  C      -4.576077     -0.413742      4.352209
  C      -5.931660     -0.691845      3.664280
  C      -5.886007     -0.514254      2.171564
  N      -6.406719      0.608181      1.681444
  C      -6.293411      0.824370      0.344231
  N      -5.709427      0.055581     -0.552017
  C      -5.189123     -1.119058     -0.079620
  C      -4.560744     -2.007537     -0.984456
  C      -4.039850     -3.202535     -0.531119
  C      -4.128556     -3.557714      0.835312
  C      -4.729622     -2.706623      1.739486
  C      -5.266606     -1.468376      1.305875
  C      -3.420054      6.160915      6.122528
  C      -3.484172      7.584302      5.546892
  C      -4.319268      7.654590      4.263263
  C      -5.800609      7.461944      4.477738
  N      -6.318544      7.921706      5.612902
  C      -7.653497      7.757945      5.807997
  N      -8.526967      7.168007      5.011528
  C      -8.025782      6.695925      3.829771
  C      -8.906276      6.060065      2.919457
  C      -8.434962      5.593328      1.710851
  C      -7.073420      5.756931      1.362939
  C      -6.191672      6.362775      2.236880
  C      -6.638860      6.834408      3.497086
  C      -5.916916      3.041686      6.759476
  C      -6.716739      4.341948      6.594004
  C      -8.231111      4.169784      6.682148
  C      -8.884996      3.602009      5.448209
  N      -8.118083      3.045032      4.521472
  C      -8.719959      2.541413      3.410628
  N     -10.007700      2.547779      3.124914
  C     -10.824419      3.122927      4.059073
  C     -12.218664      3.173770      3.816146
  C     -13.062913      3.746968      4.743179
  C     -12.549681      4.291180      5.943190
  C     -11.195645      4.256534      6.203113
  C     -10.303600      3.673336      5.270660
  H      -3.656996      0.840288      2.820559
  H      -4.821824      1.647140      3.882060
  H      -4.736279     -0.369829      5.439306
  H      -3.866303     -1.232616      4.155958
  H      -6.273507     -1.706565      3.919384
  H      -6.673977      0.023603      4.047543
  H      -6.736746      1.759107     -0.016578
  H      -4.509763     -1.718338     -2.035026
  H      -3.558457     -3.885634     -1.232192
  H      -3.719699     -4.511369      1.172963
  H      -4.800010     -2.988452      2.790535
  H      -4.443474      5.819171      6.329701
  H      -2.900914      6.207553      7.103048
  H      -2.466486      7.946564      5.326195
  H      -3.911430      8.252101      6.310935
  H      -4.182368      8.641974      3.787405
  H      -3.937795      6.905073      3.556055
  H      -8.043482      8.163245      6.747895
  H      -9.953520      5.951564      3.206179
  H      -9.114601      5.094651      1.017474
  H      -6.724749      5.404596      0.389712
  H      -5.145639      6.488184      1.955925
  H      -6.099617      2.625175      7.770166
  H      -6.315367      2.312634      6.033077
  H      -6.390360      5.072071      7.351570
  H      -6.462549      4.766508      5.610165
  H      -8.496955      3.528833      7.543136
  H      -8.699703      5.144102      6.888451
  H      -8.043151      2.070452      2.688633
  H     -12.591328      2.747537      2.883756
  H     -14.136375      3.784373      4.553038
  H     -13.230324      4.744367      6.664568
  H     -10.809866      4.684414      7.128325
  N      -3.646300      3.645885      2.955347
  N      -4.065332      3.723233      1.661402
  H      -4.400753      2.821173      1.309186
  H      -4.827948      4.401228      1.556554
99
Coordinates from ORCA-job orca E -6259.046058851555
  N      -2.945650      1.483784      4.713158
  Mo     -3.586507      3.400652      4.739674
  N      -4.485671      3.205213      6.535922
  C      -3.611455      3.175957      7.705764
  C      -2.295167      2.441635      7.413372
  N      -1.601102      2.986985      6.227479
  C      -0.753086      1.995428      5.533993
  C      -1.557025      1.250053      4.432892
  C      -0.942920      4.284445      6.449679
  C      -1.341147      5.202282      5.285793
  N      -2.788062      5.219323      5.204689
  H      -1.265317      1.625369      3.427693
  H      -1.318200      0.170115      4.458825
  H       0.091275      2.526464      5.076384
  H      -0.336449      1.285593      6.269456
  H      -0.922186      6.216717      5.420572
  H      -0.926250      4.795170      4.346884
  H      -1.321746      4.706980      7.391836
  H       0.151419      4.170976      6.552053
  H      -4.104267      2.651440      8.545250
  H      -3.390433      4.199075      8.074165
  H      -2.524465      1.393523      7.187622
  H      -1.638361      2.479189      8.304464
  C      -3.969975      0.907044      3.877783
  C      -4.551505     -0.426899      4.349762
  C      -5.907030     -0.722970      3.669612
  C      -5.870468     -0.552702      2.175673
  N      -6.400524      0.564054      1.682280
  C      -6.296887      0.772958      0.343011
  N      -5.715142      0.001998     -0.552491
  C      -5.185006     -1.166852     -0.076563
  C      -4.558335     -2.057278     -0.980529
  C      -4.027418     -3.246559     -0.523539
  C      -4.104002     -3.593790      0.845748
  C      -4.703265     -2.740645      1.749046
  C      -5.250620     -1.508051      1.311657
  C      -3.417663      6.156327      6.124785
  C      -3.482754      7.580158      5.551215
  C      -4.331705      7.653774      4.276660
  C      -5.812393      7.475536      4.509104
  N      -6.311630      7.939172      5.651081
  C      -7.646164      7.789868      5.861480
  N      -8.536179      7.212509      5.073575
  C      -8.054272      6.737963      3.884678
  C      -8.953679      6.118308      2.981572
  C      -8.501971      5.648881      1.766377
  C      -7.141791      5.793551      1.405123
  C      -6.242316      6.385031      2.271007
  C      -6.669128      6.859225      3.537121
  C      -5.912525      3.044525      6.765292
  C      -6.708130      4.346078      6.588468
  C      -8.223004      4.176479      6.663907
  C      -8.866208      3.610860      5.423605
  N      -8.091865      3.051686      4.504311
  C      -8.684393      2.548450      3.388359
  N      -9.969426      2.557912      3.090607
  C     -10.793268      3.136072      4.016142
  C     -12.184791      3.191412      3.759424
  C     -13.035894      3.768942      4.677219
  C     -12.532533      4.313216      5.881432
  C     -11.181531      4.273931      6.154929
  C     -10.282585      3.686144      5.232215
  H      -3.663127      0.842549      2.813793
  H      -4.827509      1.631946      3.888019
  H      -4.705968     -0.386787      5.437813
  H      -3.832158     -1.235802      4.147717
  H      -6.236814     -1.740160      3.930926
  H      -6.655179     -0.013435      4.052963
  H      -6.747061      1.703354     -0.020454
  H      -4.516683     -1.774021     -2.033202
  H      -3.547365     -3.931335     -1.223783
  H      -3.687268     -4.543153      1.186129
  H      -4.764353     -3.016589      2.802313
  H      -4.440772      5.815071      6.334672
  H      -2.895435      6.201084      7.103712
  H      -2.466245      7.939743      5.320356
  H      -3.899949      8.248670      6.320290
  H      -4.191628      8.639110      3.797384
  H      -3.964953      6.899728      3.566259
  H      -8.020445      8.197269      6.806824
  H      -9.999473      6.024850      3.278744
  H      -9.195953      5.162634      1.078339
  H      -6.808425      5.438694      0.427436
  H      -5.197863      6.496423      1.978458
  H      -6.095389      2.637488      7.779735
  H      -6.313892      2.310456      6.045402
  H      -6.386649      5.078782      7.345413
  H      -6.445228      4.765933      5.605012
  H      -8.497036      3.534690      7.521593
  H      -8.692097      5.151105      6.867415
  H      -8.002701      2.073327      2.673808
  H     -12.549844      2.765236      2.823924
  H     -14.107212      3.810043      4.476480
  H     -13.218515      4.770271      6.595117
  H     -10.803131      4.702404      7.082945
  N      -3.685516      3.653223      2.958962
  N      -4.136021      3.735362      1.674496
  H      -4.479342      2.833841      1.329753
  H      -4.904517      4.410014      1.593504
99
Coordinates from ORCA-job orca E -6259.046535769861
  N      -2.944253      1.490765      4.700376
  Mo     -3.591669      3.401063      4.740138
  N      -4.481617      3.202068      6.537751
  C      -3.603201      3.169897      7.703413
  C      -2.289188      2.435689      7.404038
  N      -1.598071      2.984467      6.219191
  C      -0.752067      1.995720      5.521003
  C      -1.557075      1.260514      4.415035
  C      -0.941019      4.281421      6.441547
  C      -1.342749      5.197549      5.278769
  N      -2.789030      5.215930      5.203847
  H      -1.267797      1.645708      3.412982
  H      -1.317691      0.180607      4.430099
  H       0.094786      2.526753      5.068106
  H      -0.338783      1.279602      6.252272
  H      -0.922553      6.212063      5.408853
  H      -0.932735      4.787495      4.339048
  H      -1.318219      4.702887      7.384815
  H       0.153745      4.169572      6.541462
  H      -4.093337      2.644578      8.543654
  H      -3.379830      4.192214      8.072474
  H      -2.520561      1.388890      7.174459
  H      -1.630160      2.468440      8.293737
  C      -3.969186      0.903334      3.873834
  C      -4.527928     -0.439306      4.347606
  C      -5.883186     -0.752986      3.675227
  C      -5.855525     -0.590136      2.180148
  N      -6.394795      0.520881      1.683438
  C      -6.300577      0.722313      0.342189
  N      -5.720982     -0.050909     -0.552405
  C      -5.181108     -1.213852     -0.072913
  C      -4.556032     -2.106291     -0.975866
  C      -4.015155     -3.289722     -0.515152
  C      -4.079829     -3.628793      0.856896
  C      -4.677427     -2.773539      1.759169
  C      -5.235073     -1.546723      1.317940
  C      -3.415069      6.151676      6.126842
  C      -3.481059      7.575885      5.555236
  C      -4.343606      7.652783      4.289847
  C      -5.823274      7.488752      4.540118
  N      -6.303719      7.955961      5.688718
  C      -7.637539      7.821276      5.914279
  N      -8.543932      7.257228      5.134827
  C      -8.081382      6.780650      3.938944
  C      -8.999625      6.178602      3.042780
  C      -8.567633      5.706879      1.821166
  C      -7.209008      5.831662      1.447041
  C      -6.291920      6.407811      2.304976
  C      -6.698239      6.884144      3.576823
  C      -5.908401      3.047809      6.770784
  C      -6.699900      4.350508      6.582880
  C      -8.215065      4.182906      6.645758
  C      -8.847338      3.619111      5.399222
  N      -8.065361      3.058065      4.487452
  C      -8.648252      2.554608      3.366588
  N      -9.930532      2.566263      3.056962
  C     -10.761693      3.147127      3.973727
  C     -12.150413      3.206106      3.703253
  C     -13.008524      3.787715      4.611634
  C     -12.515298      4.332611      5.819841
  C     -11.167431      4.289567      6.106867
  C     -10.261409      3.697512      5.194046
  H      -3.670346      0.844728      2.807395
  H      -4.833600      1.617127      3.894349
  H      -4.676582     -0.402824      5.436567
  H      -3.799406     -1.238297      4.139731
  H      -6.201084     -1.772440      3.942646
  H      -6.637015     -0.049297      4.058652
  H      -6.757572      1.648237     -0.024042
  H      -4.523559     -1.829124     -2.030577
  H      -3.536334     -3.976231     -1.214436
  H      -3.655274     -4.573777      1.200049
  H      -4.729406     -3.043463      2.814587
  H      -4.437897      5.811038      6.339610
  H      -2.889616      6.194625      7.104083
  H      -2.465846      7.932884      5.314310
  H      -3.888213      8.245061      6.329187
  H      -4.200533      8.636107      3.807212
  H      -3.991488      6.894432      3.576427
  H      -7.996024      8.230370      6.864982
  H     -10.043848      6.101111      3.349994
  H      -9.275911      5.234198      1.138185
  H      -6.891015      5.474523      0.465040
  H      -5.249278      6.504642      2.000976
  H      -6.091341      2.649979      7.788794
  H      -6.312686      2.308981      6.057260
  H      -6.383430      5.085770      7.339203
  H      -6.428486      4.765824      5.599936
  H      -8.496890      3.540137      7.500071
  H      -8.685057      5.157620      6.846536
  H      -7.961514      2.075553      2.659589
  H     -12.507651      2.779592      2.764797
  H     -14.077622      3.831882      4.400306
  H     -13.206764      4.793285      6.525693
  H     -10.796593      4.719034      7.037527
  N      -3.724983      3.660240      2.963039
  N      -4.206569      3.746858      1.688785
  H      -4.558037      2.846022      1.351747
  H      -4.979499      4.418917      1.631019
99
Coordinates from ORCA-job orca E -6259.047005654906
  N      -2.944611      1.499063      4.687102
  Mo     -3.597747      3.402470      4.740888
  N      -4.478162      3.199691      6.539779
  C      -3.595371      3.164231      7.700832
  C      -2.283971      2.429959      7.393856
  N      -1.595950      2.982296      6.210206
  C      -0.752534      1.996404      5.506813
  C      -1.559204      1.272166      4.396097
  C      -0.939627      4.278431      6.432719
  C      -1.345059      5.192864      5.271245
  N      -2.790596      5.213120      5.203265
  H      -1.272586      1.667822      3.397485
  H      -1.319572      0.192360      4.399555
  H       0.096805      2.527365      5.058609
  H      -0.342566      1.273617      6.233399
  H      -0.923310      6.207369      5.396170
  H      -0.940609      4.779421      4.330657
  H      -1.314752      4.698724      7.377310
  H       0.155577      4.167947      6.529762
  H      -4.082717      2.638040      8.541794
  H      -3.369280      4.185574      8.070755
  H      -2.517783      1.384660      7.160118
  H      -1.622507      2.457392      8.281979
  C      -3.970319      0.901227      3.869795
  C      -4.505972     -0.449898      4.345182
  C      -5.860760     -0.781918      3.681099
  C      -5.842433     -0.627673      2.184817
  N      -6.391957      0.476656      1.683876
  C      -6.307171      0.669355      0.340608
  N      -5.728927     -0.106395     -0.552272
  C      -5.178449     -1.262588     -0.068356
  C      -4.554176     -2.157319     -0.969514
  C      -4.002566     -3.334117     -0.504152
  C      -4.055346     -3.663886      0.870796
  C      -4.651975     -2.806154      1.771265
  C      -5.220701     -1.585873      1.325255
  C      -3.412302      6.147934      6.129110
  C      -3.477874      7.572547      5.559650
  C      -4.352924      7.653083      4.303061
  C      -5.831108      7.501737      4.570390
  N      -6.293130      7.970267      5.726080
  C      -7.625604      7.848604      5.966657
  N      -8.547493      7.298427      5.194966
  C      -8.104051      6.822430      3.991530
  C      -9.040438      6.239232      3.101710
  C      -8.628155      5.768550      1.872792
  C      -7.271641      5.874911      1.485964
  C      -6.337402      6.434080      2.336771
  C      -6.723398      6.909763      3.614971
  C      -5.904629      3.050847      6.776251
  C      -6.692783      4.354352      6.578148
  C      -8.208010      4.187609      6.628624
  C      -8.828877      3.627222      5.375118
  N      -8.038410      3.068043      4.469390
  C      -8.610724      2.566202      3.342575
  N      -9.890346      2.578241      3.021551
  C     -10.729852      3.157860      3.931110
  C     -12.115896      3.218731      3.647311
  C     -12.981880      3.801047      4.547555
  C     -12.499564      4.344774      5.760688
  C     -11.154785      4.299524      6.060924
  C     -10.240789      3.706800      5.156616
  H      -3.680016      0.848584      2.800864
  H      -4.841345      1.603811      3.900905
  H      -4.648340     -0.416912      5.435041
  H      -3.768436     -1.238782      4.131236
  H      -6.166124     -1.803534      3.955134
  H      -6.620492     -0.084299      4.064489
  H      -6.771741      1.590017     -0.029220
  H      -4.530910     -1.887083     -2.026390
  H      -3.524353     -4.022633     -1.201828
  H      -3.622377     -4.603906      1.217407
  H      -4.694807     -3.069176      2.828959
  H      -4.435064      5.808645      6.344472
  H      -2.883873      6.188689      7.104779
  H      -2.463886      7.926794      5.309539
  H      -3.875153      8.242423      6.338098
  H      -4.207453      8.634869      3.817860
  H      -4.014463      6.891360      3.586468
  H      -7.968517      8.257294      6.923301
  H     -10.082699      6.176838      3.418836
  H      -9.350251      5.310974      1.193960
  H      -6.969054      5.517885      0.499024
  H      -5.296978      6.517100      2.021297
  H      -6.087513      2.661408      7.797445
  H      -6.311345      2.307601      6.068499
  H      -6.381536      5.091971      7.334172
  H      -6.413475      4.765863      5.595840
  H      -8.496845      3.542272      7.478532
  H      -8.679750      5.161659      6.828279
  H      -7.917844      2.086955      2.641593
  H     -12.464728      2.793419      2.705105
  H     -14.048801      3.847101      4.325929
  H     -13.197220      4.806451      6.459665
  H     -10.792080      4.728655      6.994971
  N      -3.766840      3.668664      2.968377
  N      -4.280439      3.759721      1.705533
  H      -4.641538      2.859700      1.378042
  H      -5.057228      4.429092      1.672503
99
Coordinates from ORCA-job orca E -6259.047500185144
  N      -2.945826      1.509217      4.672962
  Mo     -3.603885      3.405090      4.741584
  N      -4.475968      3.198146      6.540932
  C      -3.589546      3.159342      7.697567
  C      -2.280876      2.424775      7.383466
  N      -1.595052      2.980646      6.201696
  C      -0.754292      1.997535      5.493522
  C      -1.562145      1.285173      4.377563
  C      -0.939107      4.275534      6.424636
  C      -1.347447      5.188212      5.264359
  N      -2.791935      5.211210      5.203020
  H      -1.276949      1.691705      3.382997
  H      -1.322905      0.205449      4.369097
  H       0.098136      2.528239      5.050855
  H      -0.348419      1.267517      6.215296
  H      -0.923656      6.202527      5.383930
  H      -0.948482      4.770919      4.323169
  H      -1.312392      4.694721      7.370404
  H       0.156522      4.166039      6.519259
  H      -4.074424      2.632122      8.538965
  H      -3.360833      4.179591      8.068600
  H      -2.517486      1.381230      7.145078
  H      -1.617408      2.446112      8.270375
  C      -3.971646      0.901278      3.864602
  C      -4.482997     -0.458454      4.341105
  C      -5.836690     -0.809535      3.685007
  C      -5.826753     -0.665258      2.187394
  N      -6.386044      0.431977      1.680804
  C      -6.310288      0.614106      0.335381
  N      -5.733527     -0.165594     -0.554616
  C      -5.172814     -1.314550     -0.064853
  C      -4.549680     -2.213022     -0.963041
  C      -3.987777     -3.382713     -0.491489
  C      -4.028792     -3.701162      0.886737
  C      -4.624215     -2.839526      1.784223
  C      -5.203651     -1.626262      1.331851
  C      -3.409046      6.146043      6.130709
  C      -3.473620      7.571176      5.563306
  C      -4.359999      7.656130      4.315157
  C      -5.836224      7.514002      4.597992
  N      -6.281472      7.977485      5.762434
  C      -7.611694      7.863771      6.017330
  N      -8.546714      7.327942      5.251156
  C      -8.120880      6.859358      4.038362
  C      -9.073042      6.295971      3.152706
  C      -8.678898      5.834115      1.914354
  C      -7.325220      5.928524      1.515300
  C      -6.376004      6.469295      2.361438
  C      -6.743460      6.936698      3.647856
  C      -5.901904      3.052136      6.780089
  C      -6.688806      4.355410      6.574632
  C      -8.204045      4.187669      6.614697
  C      -8.815983      3.633224      5.354279
  N      -8.018999      3.077622      4.451687
  C      -8.582921      2.580152      3.318756
  N      -9.860354      2.593680      2.988832
  C     -10.706224      3.170637      3.894068
  C     -12.089890      3.235355      3.599336
  C     -12.961811      3.817504      4.494128
  C     -12.488150      4.356880      5.712733
  C     -11.146133      4.307271      6.024006
  C     -10.226080      3.714967      5.125275
  H      -3.689769      0.855007      2.793277
  H      -4.849575      1.592035      3.906175
  H      -4.618993     -0.429294      5.431862
  H      -3.736039     -1.236498      4.120872
  H      -6.129027     -1.833126      3.966157
  H      -6.602889     -0.118271      4.067556
  H      -6.782577      1.528898     -0.039401
  H      -4.535576     -1.951191     -2.022383
  H      -3.510439     -4.074407     -1.186595
  H      -3.587700     -4.635851      1.238018
  H      -4.657966     -3.094148      2.844503
  H      -4.431851      5.808510      6.348480
  H      -2.878049      6.185016      7.105040
  H      -2.460910      7.922847      5.304906
  H      -3.861405      8.241570      6.345931
  H      -4.213627      8.637526      3.829141
  H      -4.033319      6.893060      3.594425
  H      -7.940237      8.266169      6.981775
  H     -10.112898      6.244293      3.479330
  H      -9.412993      5.393159      1.237406
  H      -7.036764      5.577523      0.521925
  H      -5.338252      6.543038      2.034877
  H      -6.083977      2.669068      7.803619
  H      -6.310254      2.305211      6.076969
  H      -6.382736      5.094525      7.331080
  H      -6.403426      4.765025      5.593341
  H      -8.497815      3.537458      7.459121
  H      -8.678140      5.160019      6.816500
  H      -7.885483      2.101900      2.621436
  H     -12.432099      2.813728      2.652886
  H     -14.026728      3.867230      4.263938
  H     -13.190566      4.818878      6.406927
  H     -10.789717      4.733764      6.961824
  N      -3.808850      3.678437      2.974663
  N      -4.354672      3.772909      1.724346
  H      -4.727385      2.873671      1.408637
  H      -5.132942      4.441663      1.715397
99
Coordinates from ORCA-job orca E -6259.048035899601
  N      -2.950676      1.521597      4.658836
  Mo     -3.612201      3.409195      4.744935
  N      -4.474338      3.198428      6.545941
  C      -3.582961      3.155735      7.696618
  C      -2.278470      2.419507      7.373430
  N      -1.595525      2.978962      6.193456
  C      -0.758796      1.998617      5.478794
  C      -1.569232      1.299753      4.357901
  C      -0.939011      4.272306      6.416258
  C      -1.351079      5.183019      5.257230
  N      -2.794426      5.209553      5.204110
  H      -1.286052      1.717906      3.367789
  H      -1.331538      0.220081      4.336130
  H       0.096460      2.529046      5.041355
  H      -0.356594      1.260552      6.194507
  H      -0.924766      6.197084      5.370282
  H      -0.958612      4.761067      4.315414
  H      -1.309042      4.690646      7.363618
  H       0.157090      4.163278      6.507046
  H      -4.064642      2.628110      8.539222
  H      -3.349812      4.174679      8.068449
  H      -2.519655      1.378301      7.129582
  H      -1.612176      2.432951      8.258479
  C      -3.977023      0.903653      3.860236
  C      -4.461657     -0.465750      4.336108
  C      -5.814241     -0.836682      3.689284
  C      -5.813426     -0.701341      2.190642
  N      -6.383265      0.388288      1.678451
  C      -6.316703      0.558831      0.330939
  N      -5.740847     -0.224897     -0.555727
  C      -5.169018     -1.365822     -0.060039
  C      -4.546398     -2.268100     -0.954858
  C      -3.973335     -3.430001     -0.476992
  C      -4.002279     -3.736274      0.904290
  C      -4.597099     -2.870598      1.798322
  C      -5.188239     -1.665081      1.339406
  C      -3.405584      6.146163      6.132721
  C      -3.466274      7.570784      5.564870
  C      -4.362359      7.658663      4.324187
  C      -5.836211      7.523116      4.621874
  N      -6.264188      7.976492      5.796893
  C      -7.591159      7.867843      6.067492
  N      -8.538869      7.346701      5.306940
  C      -8.131541      6.890537      4.083068
  C      -9.099691      6.347264      3.202449
  C      -8.725626      5.901714      1.951996
  C      -7.376524      5.991205      1.537036
  C      -6.411674      6.512062      2.378079
  C      -6.758633      6.963338      3.675888
  C      -5.899395      3.054466      6.788011
  C      -6.686077      4.356924      6.575703
  C      -8.200958      4.186181      6.604014
  C      -8.801525      3.639659      5.334992
  N      -7.996202      3.089663      4.436133
  C      -8.549626      2.596884      3.296103
  N      -9.824333      2.609715      2.955751
  C     -10.678358      3.182015      3.855900
  C     -12.059443      3.247664      3.548905
  C     -12.939258      3.827805      4.437206
  C     -12.476453      4.363638      5.661723
  C     -11.137492      4.312064      5.985532
  C     -10.209415      3.722072      5.093468
  H      -3.705022      0.865394      2.786286
  H      -4.862640      1.580655      3.914035
  H      -4.589400     -0.441813      5.427876
  H      -3.705288     -1.231885      4.107220
  H      -6.092060     -1.862660      3.976595
  H      -6.587262     -0.153227      4.072442
  H      -6.797594      1.466769     -0.049385
  H      -4.541687     -2.015234     -2.016478
  H      -3.496400     -4.124990     -1.169178
  H      -3.552319     -4.665089      1.260370
  H      -4.621326     -3.116074      2.861011
  H      -4.428991      5.812392      6.353465
  H      -2.872093      6.183431      7.105792
  H      -2.454188      7.918001      5.298741
  H      -3.844256      8.243933      6.349685
  H      -4.216210      8.639691      3.836916
  H      -4.045606      6.894626      3.599885
  H      -7.904660      8.260407      7.041031
  H     -10.135935      6.301878      3.541094
  H      -9.471879      5.478397      1.277055
  H      -7.104040      5.652389      0.534843
  H      -5.377955      6.580662      2.037494
  H      -6.080478      2.677629      7.813809
  H      -6.309272      2.303777      6.089610
  H      -6.386597      5.097270      7.333250
  H      -6.394966      4.766037      5.595985
  H      -8.499338      3.528625      7.440936
  H      -8.679040      5.155612      6.809888
  H      -7.846128      2.122315      2.602445
  H     -12.393292      2.829107      2.597903
  H     -14.002097      3.879086      4.197461
  H     -13.185143      4.824509      6.350268
  H     -10.789309      4.736138      6.927664
  N      -3.860386      3.690646      2.985765
  N      -4.442914      3.789999      1.750421
  H      -4.825188      2.890837      1.446363
  H      -5.225053      4.454236      1.772082
99
Coordinates from ORCA-job orca E -6259.048577234103
  N      -2.957168      1.537484      4.642868
  Mo     -3.620670      3.416830      4.748079
  N      -4.473023      3.202207      6.549620
  C      -3.577055      3.155727      7.694617
  C      -2.277371      2.416807      7.362319
  N      -1.596522      2.978868      6.184038
  C      -0.764850      2.000158      5.463349
  C      -1.578204      1.316555      4.336799
  C      -0.937988      4.269832      6.406819
  C      -1.352598      5.178717      5.249290
  N      -2.794557      5.211309      5.205431
  H      -1.295556      1.746740      3.351826
  H      -1.343011      0.236849      4.300790
  H       0.094746      2.528608      5.032070
  H      -0.368247      1.253195      6.173024
  H      -0.921801      6.191772      5.355166
  H      -0.968030      4.750942      4.306876
  H      -1.304785      4.687919      7.355551
  H       0.158437      4.159923      6.494471
  H      -4.055843      2.628066      8.538592
  H      -3.339171      4.173553      8.066625
  H      -2.524007      1.377982      7.113441
  H      -1.607979      2.422039      8.245225
  C      -3.984635      0.909739      3.855627
  C      -4.441409     -0.468533      4.332318
  C      -5.793352     -0.859433      3.696640
  C      -5.803739     -0.736666      2.196791
  N      -6.386508      0.343591      1.678310
  C      -6.333362      0.499892      0.328449
  N      -5.760022     -0.289120     -0.554816
  C      -5.174269     -1.420189     -0.052512
  C      -4.554019     -2.327537     -0.943904
  C      -3.967742     -3.480053     -0.458982
  C      -3.980731     -3.771318      0.925953
  C      -4.572967     -2.900396      1.816485
  C      -5.177735     -1.704101      1.350324
  C      -3.397593      6.150472      6.135527
  C      -3.455244      7.575640      5.568430
  C      -4.361341      7.669630      4.335848
  C      -5.832602      7.535615      4.646812
  N      -6.246517      7.972727      5.833193
  C      -7.570115      7.863577      6.116834
  N      -8.527378      7.357559      5.358139
  C      -8.135136      6.920515      4.122290
  C      -9.115435      6.397971      3.242848
  C      -8.757286      5.975196      1.979707
  C      -7.412317      6.065209      1.552597
  C      -6.435541      6.565376      2.392556
  C      -6.766508      6.994456      3.701768
  C      -5.896550      3.054443      6.793973
  C      -6.686850      4.354167      6.580061
  C      -8.200747      4.175397      6.595945
  C      -8.788217      3.640442      5.316182
  N      -7.972696      3.102456      4.419052
  C      -8.514001      2.617877      3.269837
  N      -9.785775      2.628468      2.918715
  C     -10.649832      3.189872      3.815779
  C     -12.028140      3.255149      3.495887
  C     -12.917702      3.826848      4.379894
  C     -12.467929      4.353566      5.613228
  C     -11.132228      4.301391      5.950115
  C     -10.194095      3.720866      5.062203
  H      -3.724250      0.879069      2.778743
  H      -4.877166      1.573574      3.922671
  H      -4.559958     -0.449471      5.425160
  H      -3.675721     -1.222536      4.094586
  H      -6.056527     -1.886946      3.992714
  H      -6.572669     -0.182888      4.079727
  H      -6.825435      1.399539     -0.057711
  H      -4.561947     -2.085873     -2.008283
  H      -3.492764     -4.179405     -1.148099
  H      -3.520456     -4.693162      1.287335
  H      -4.584705     -3.134718      2.882093
  H      -4.421616      5.821391      6.361099
  H      -2.860103      6.185597      7.106523
  H      -2.443979      7.918748      5.294662
  H      -3.822984      8.250339      6.356651
  H      -4.218172      8.652867      3.851582
  H      -4.052603      6.908616      3.604705
  H      -7.871293      8.240736      7.100456
  H     -10.148203      6.353353      3.591593
  H      -9.512689      5.570148      1.303728
  H      -7.151977      5.742372      0.541813
  H      -5.405163      6.631118      2.041329
  H      -6.074917      2.678415      7.820203
  H      -6.305671      2.301866      6.097003
  H      -6.396310      5.093705      7.341421
  H      -6.390900      4.766727      5.603495
  H      -8.501018      3.505367      7.422034
  H      -8.686254      5.139150      6.810498
  H      -7.802847      2.152303      2.578056
  H     -12.351975      2.843998      2.538151
  H     -13.978205      3.878877      4.129981
  H     -13.184504      4.808042      6.297871
  H     -10.793739      4.718743      6.898792
  N      -3.914388      3.706425      2.997935
  N      -4.534139      3.809297      1.779177
  H      -4.929498      2.911515      1.487592
  H      -5.314200      4.474963      1.826747
99
Coordinates from ORCA-job orca E -6259.049273833674
  N      -2.967123      1.554156      4.627387
  Mo     -3.628307      3.426966      4.750464
  N      -4.476097      3.211789      6.552357
  C      -3.577828      3.162170      7.693764
  C      -2.283939      2.415939      7.356404
  N      -1.600572      2.977339      6.180326
  C      -0.774565      1.996681      5.456591
  C      -1.589030      1.329813      4.322053
  C      -0.937090      4.265164      6.402623
  C      -1.349647      5.172378      5.243946
  N      -2.790660      5.214902      5.205310
  H      -1.301535      1.770642      3.343186
  H      -1.359553      0.249460      4.273125
  H       0.092535      2.520329      5.033996
  H      -0.388001      1.239930      6.161691
  H      -0.911730      6.183398      5.342157
  H      -0.971081      4.736869      4.302526
  H      -1.301846      4.685241      7.351233
  H       0.159350      4.151656      6.489918
  H      -4.056136      2.636969      8.539698
  H      -3.333717      4.179108      8.064337
  H      -2.538867      1.380092      7.103035
  H      -1.613477      2.411355      8.238808
  C      -3.995149      0.917812      3.849542
  C      -4.424338     -0.469346      4.325982
  C      -5.774876     -0.879251      3.699760
  C      -5.794409     -0.766425      2.199203
  N      -6.391227      0.303910      1.675361
  C      -6.349051      0.448069      0.324026
  N      -5.773897     -0.343865     -0.555735
  C      -5.172969     -1.464422     -0.047844
  C      -4.550528     -2.374300     -0.935700
  C      -3.949796     -3.516671     -0.444597
  C      -3.950104     -3.794692      0.943052
  C      -4.544220     -2.921051      1.829891
  C      -5.163768     -1.734917      1.357355
  C      -3.384293      6.161517      6.132513
  C      -3.435330      7.585253      5.562044
  C      -4.348104      7.682312      4.336385
  C      -5.815864      7.541241      4.658668
  N      -6.217847      7.951877      5.858648
  C      -7.535860      7.832337      6.155653
  N      -8.499131      7.339269      5.397922
  C      -8.120974      6.931359      4.147742
  C      -9.110474      6.427106      3.268559
  C      -8.767311      6.038396      1.990304
  C      -7.428389      6.143585      1.548883
  C      -6.442584      6.624985      2.388901
  C      -6.758597      7.019445      3.712529
  C      -5.898362      3.056957      6.797528
  C      -6.695337      4.352335      6.585107
  C      -8.208679      4.162452      6.593401
  C      -8.788938      3.638177      5.305520
  N      -7.967575      3.109159      4.407457
  C      -8.502916      2.631820      3.251921
  N      -9.773334      2.640635      2.895328
  C     -10.643043      3.194195      3.792153
  C     -12.020249      3.259796      3.465002
  C     -12.915739      3.825691      4.347691
  C     -12.473202      4.344965      5.587347
  C     -11.138729      4.291469      5.931856
  C     -10.194296      3.718007      5.044791
  H      -3.744637      0.894335      2.770024
  H      -4.895693      1.568087      3.927168
  H      -4.534145     -0.455742      5.419800
  H      -3.649316     -1.210904      4.079732
  H      -6.023511     -1.908463      4.002529
  H      -6.560831     -0.210930      4.083158
  H      -6.854236      1.338853     -0.067158
  H      -4.568662     -2.142539     -2.002110
  H      -3.473274     -4.218404     -1.130579
  H      -3.478529     -4.708895      1.309277
  H      -4.545764     -3.145469      2.897722
  H      -4.409447      5.840475      6.363447
  H      -2.843346      6.196417      7.101654
  H      -2.424193      7.921560      5.282186
  H      -3.793339      8.264841      6.349568
  H      -4.212491      8.668902      3.856012
  H      -4.042441      6.926872      3.598412
  H      -7.825358      8.184408      7.151808
  H     -10.138356      6.372402      3.628859
  H      -9.529839      5.650362      1.312594
  H      -7.179309      5.846561      0.527364
  H      -5.416620      6.698000      2.026119
  H      -6.073234      2.679449      7.823166
  H      -6.306091      2.303273      6.101021
  H      -6.413010      5.091208      7.349888
  H      -6.398297      4.769831      5.610998
  H      -8.507040      3.478495      7.408827
  H      -8.701724      5.119446      6.819210
  H      -7.788617      2.172291      2.559966
  H     -12.338515      2.854551      2.502504
  H     -13.975162      3.879141      4.091860
  H     -13.194752      4.794858      6.270585
  H     -10.805708      4.702959      6.885312
  N      -3.969014      3.723994      3.011451
  N      -4.627071      3.828910      1.811219
  H      -5.042797      2.932373      1.539572
  H      -5.399693      4.501656      1.884777
99
Coordinates from ORCA-job orca E -6259.050015718576
  N      -2.977990      1.570059      4.611449
  Mo     -3.636218      3.436267      4.753552
  N      -4.478169      3.221892      6.556381
  C      -3.576872      3.170312      7.693949
  C      -2.289610      2.415831      7.351527
  N      -1.603972      2.974845      6.176629
  C      -0.784821      1.990944      5.449944
  C      -1.600759      1.341361      4.307192
  C      -0.934932      4.259562      6.397303
  C      -1.345936      5.164916      5.237606
  N      -2.785937      5.218346      5.204783
  H      -1.307617      1.792044      3.334578
  H      -1.377706      0.260379      4.245346
  H       0.090612      2.507916      5.036151
  H      -0.409664      1.224293      6.150528
  H      -0.900113      6.173419      5.327994
  H      -0.973909      4.721769      4.297094
  H      -1.297031      4.682648      7.345589
  H       0.161311      4.142067      6.483937
  H      -4.054185      2.648840      8.542875
  H      -3.325892      4.186802      8.061408
  H      -2.553663      1.382834      7.094958
  H      -1.617599      2.401984      8.232854
  C      -4.007434      0.924067      3.844631
  C      -4.407401     -0.471583      4.321823
  C      -5.757030     -0.901440      3.707340
  C      -5.789019     -0.798329      2.206327
  N      -6.404770      0.260252      1.679939
  C      -6.378417      0.393436      0.327433
  N      -5.801540     -0.398691     -0.551282
  C      -5.180310     -1.506817     -0.040709
  C      -4.555527     -2.416486     -0.927622
  C      -3.935537     -3.547061     -0.433478
  C      -3.918321     -3.813058      0.956272
  C      -4.514230     -2.939429      1.842014
  C      -5.153359     -1.765068      1.366357
  C      -3.369288      6.173171      6.129291
  C      -3.415246      7.595167      5.553201
  C      -4.337810      7.695133      4.336318
  C      -5.802102      7.549423      4.671654
  N      -6.191182      7.937424      5.883392
  C      -7.504406      7.811310      6.193596
  N      -8.475108      7.331718      5.437981
  C      -8.111471      6.948018      4.175757
  C      -9.110699      6.460644      3.298395
  C      -8.782754      6.100877      2.007571
  C      -7.449615      6.217313      1.552614
  C      -6.454228      6.681411      2.391030
  C      -6.754995      7.046274      3.726537
  C      -5.898773      3.058620      6.801974
  C      -6.702078      4.349843      6.593448
  C      -8.214239      4.148213      6.591231
  C      -8.782456      3.636708      5.293151
  N      -7.951525      3.119080      4.396995
  C      -8.476299      2.649539      3.233429
  N      -9.743815      2.655587      2.866948
  C     -10.622895      3.198870      3.760818
  C     -11.997875      3.262231      3.422262
  C     -12.902948      3.819424      4.300968
  C     -12.472466      4.330926      5.548239
  C     -11.140485      4.278337      5.904410
  C     -10.186190      3.714743      5.021129
  H      -3.768768      0.907387      2.762235
  H      -4.916101      1.560073      3.933641
  H      -4.506932     -0.463232      5.416702
  H      -3.622866     -1.199887      4.066273
  H      -5.989532     -1.932368      4.017244
  H      -6.549546     -0.242226      4.092709
  H      -6.900975      1.273602     -0.065926
  H      -4.587689     -2.193953     -1.995574
  H      -3.457448     -4.249033     -1.118354
  H      -3.431726     -4.718378      1.324826
  H      -4.501803     -3.154888      2.911536
  H      -4.395182      5.860387      6.368838
  H      -2.822739      6.208725      7.095336
  H      -2.404299      7.922621      5.263886
  H      -3.760680      8.281514      6.340053
  H      -4.209845      8.684411      3.858786
  H      -4.037544      6.944340      3.591457
  H      -7.781865      8.143200      7.199937
  H     -10.133997      6.399014      3.669620
  H      -9.553010      5.728914      1.329699
  H      -7.211743      5.942118      0.522335
  H      -5.432500      6.758700      2.017366
  H      -6.070128      2.676776      7.826122
  H      -6.304578      2.305588      6.103768
  H      -6.429552      5.086314      7.363606
  H      -6.402233      4.774047      5.623250
  H      -8.511190      3.448065      7.393361
  H      -8.716346      5.097211      6.829395
  H      -7.755399      2.199437      2.542744
  H     -12.306812      2.863079      2.454095
  H     -13.960543      3.872223      4.036031
  H     -13.201746      4.773885      6.227927
  H     -10.816727      4.683220      6.863879
  N      -4.029526      3.740252      3.028154
  N      -4.728411      3.845122      1.848947
  H      -5.167998      2.951401      1.601873
  H      -5.489975      4.527912      1.946239
99
Coordinates from ORCA-job orca E -6259.050789897779
  N      -2.989314      1.584280      4.598523
  Mo     -3.641954      3.445500      4.758329
  N      -4.479875      3.233991      6.562471
  C      -3.576050      3.180862      7.696811
  C      -2.296145      2.415921      7.351371
  N      -1.607256      2.970665      6.177143
  C      -0.795624      1.981950      5.448631
  C      -1.612428      1.349320      4.297560
  C      -0.931186      4.251816      6.395639
  C      -1.338996      5.155685      5.234178
  N      -2.778179      5.220703      5.204783
  H      -1.312033      1.808235      3.331077
  H      -1.396936      0.267613      4.224313
  H       0.088737      2.490987      5.043739
  H      -0.433213      1.205877      6.145569
  H      -0.885036      6.161331      5.317212
  H      -0.972270      4.704988      4.295125
  H      -1.290620      4.678729      7.343148
  H       0.164609      4.128988      6.482282
  H      -4.053516      2.665185      8.549309
  H      -3.316985      4.196937      8.059722
  H      -2.570487      1.385967      7.092641
  H      -1.623260      2.392941      8.232045
  C      -4.020281      0.930248      3.841327
  C      -4.393909     -0.473349      4.317216
  C      -5.742620     -0.920497      3.713102
  C      -5.785932     -0.824825      2.211876
  N      -6.418926      0.222736      1.683659
  C      -6.406099      0.346420      0.330337
  N      -5.826315     -0.444746     -0.547445
  C      -5.186708     -1.541244     -0.034972
  C      -4.558405     -2.449669     -0.921074
  C      -3.921319     -3.569506     -0.424657
  C      -3.889939     -3.825587      0.966568
  C      -4.488647     -2.952869      1.851328
  C      -5.145091     -1.789220      1.373318
  C      -3.352053      6.186132      6.123302
  C      -3.392394      7.604022      5.536492
  C      -4.325043      7.702089      4.328143
  C      -5.785705      7.553220      4.677400
  N      -6.159930      7.919461      5.900468
  C      -7.468146      7.788422      6.225334
  N      -8.447771      7.322383      5.474011
  C      -8.100707      6.961964      4.200256
  C      -9.111403      6.491479      3.327191
  C      -8.801235      6.160121      2.024434
  C      -7.474777      6.287214      1.553867
  C      -6.467960      6.733643      2.388217
  C      -6.750745      7.069485      3.735102
  C      -5.899077      3.063047      6.808050
  C      -6.708901      4.350322      6.601698
  C      -8.219729      4.136482      6.588694
  C      -8.775906      3.637363      5.280569
  N      -7.934910      3.134392      4.385083
  C      -8.448784      2.673300      3.213347
  N      -9.713862      2.672512      2.838403
  C     -10.603107      3.201507      3.730899
  C     -11.976493      3.258202      3.382781
  C     -12.891892      3.803067      4.258907
  C     -12.473491      4.307634      5.513309
  C     -11.143375      4.260176      5.879356
  C     -10.178500      3.710043      4.998560
  H      -3.792310      0.920255      2.756434
  H      -4.936647      1.552381      3.940868
  H      -4.483878     -0.470703      5.412964
  H      -3.601424     -1.189476      4.052337
  H      -5.960511     -1.953105      4.028126
  H      -6.540888     -0.270190      4.101327
  H      -6.944665      1.216305     -0.064697
  H      -4.602014     -2.234809     -1.990074
  H      -3.440790     -4.270934     -1.108513
  H      -3.390110     -4.722895      1.336817
  H      -4.464883     -3.160835      2.922050
  H      -4.378727      5.882246      6.371713
  H      -2.800439      6.224814      7.086326
  H      -2.381479      7.920563      5.236003
  H      -3.724309      8.300532      6.319885
  H      -4.204634      8.691928      3.849481
  H      -4.030700      6.952995      3.579222
  H      -7.731991      8.101664      7.241080
  H     -10.129401      6.423140      3.711011
  H      -9.580550      5.803916      1.348629
  H      -7.250250      6.033390      0.515278
  H      -5.451299      6.814484      2.002067
  H      -6.067582      2.677982      7.831277
  H      -6.302743      2.309799      6.108816
  H      -6.446736      5.085191      7.376780
  H      -6.406156      4.780754      5.635040
  H      -8.514398      3.420004      7.377403
  H      -8.731483      5.076871      6.839117
  H      -7.720456      2.236464      2.522602
  H     -12.276035      2.864673      2.409230
  H     -13.948145      3.851728      3.986411
  H     -13.211091      4.740842      6.190558
  H     -10.829045      4.658958      6.844609
  N      -4.089856      3.756593      3.049466
  N      -4.828491      3.861713      1.891947
  H      -5.291227      2.970515      1.674277
  H      -5.579017      4.552904      2.015081
99
Coordinates from ORCA-job orca E -6259.051661265754
  N      -2.995021      1.592769      4.589222
  Mo     -3.641271      3.451854      4.760452
  N      -4.483956      3.246410      6.563429
  C      -3.582303      3.195130      7.699502
  C      -2.307768      2.418488      7.359358
  N      -1.610507      2.965147      6.185915
  C      -0.803659      1.968357      5.461854
  C      -1.616047      1.348764      4.300437
  C      -0.926773      4.243114      6.402027
  C      -1.325754      5.144877      5.235725
  N      -2.764530      5.222626      5.202765
  H      -1.302182      1.811273      3.339802
  H      -1.408443      0.265843      4.221387
  H       0.091799      2.467352      5.068116
  H      -0.457690      1.185050      6.159177
  H      -0.862884      6.147133      5.313100
  H      -0.959891      4.686333      4.299967
  H      -1.287032      4.676320      7.346377
  H       0.168150      4.113643      6.493552
  H      -4.063396      2.687291      8.555169
  H      -3.317481      4.211973      8.055903
  H      -2.591073      1.390529      7.101276
  H      -1.637534      2.389510      8.242164
  C      -4.025844      0.931822      3.837886
  C      -4.377701     -0.477848      4.313498
  C      -5.725409     -0.937425      3.716403
  C      -5.777151     -0.846143      2.215222
  N      -6.425981      0.192248      1.688282
  C      -6.427064      0.310816      0.334965
  N      -5.844881     -0.477490     -0.544478
  C      -5.187451     -1.563978     -0.033395
  C      -4.555907     -2.469019     -0.921290
  C      -3.902447     -3.579598     -0.426033
  C      -3.857413     -3.829668      0.965796
  C      -4.458749     -2.960244      1.852171
  C      -5.131585     -1.805937      1.375364
  C      -3.331331      6.201582      6.111056
  C      -3.369513      7.614869      5.511210
  C      -4.311746      7.710964      4.311621
  C      -5.769205      7.557554      4.671171
  N      -6.134180      7.898245      5.904267
  C      -7.438208      7.758791      6.237665
  N      -8.422467      7.307048      5.485539
  C      -8.086065      6.973393      4.201459
  C      -9.102102      6.518142      3.326910
  C      -8.801845      6.216631      2.014258
  C      -7.480050      6.358032      1.535527
  C      -6.468142      6.788483      2.371704
  C      -6.741302      7.093521      3.727679
  C      -5.902106      3.062332      6.806343
  C      -6.721730      4.343942      6.609604
  C      -8.231942      4.117008      6.592702
  C      -8.785642      3.631722      5.278014
  N      -7.941823      3.142075      4.377346
  C      -8.454319      2.692257      3.200400
  N      -9.719066      2.689683      2.824661
  C     -10.611241      3.205633      3.722524
  C     -11.984875      3.261086      3.373553
  C     -12.903597      3.794378      4.254370
  C     -12.488106      4.287214      5.514593
  C     -11.157566      4.239822      5.881879
  C     -10.189150      3.702465      4.995905
  H      -3.804475      0.925748      2.751239
  H      -4.949392      1.542698      3.942788
  H      -4.460835     -0.480388      5.409911
  H      -3.578183     -1.183592      4.041997
  H      -5.932544     -1.971168      4.034843
  H      -6.528060     -0.294482      4.106855
  H      -6.981658      1.172243     -0.058079
  H      -4.610607     -2.259085     -1.990654
  H      -3.419702     -4.278634     -1.111020
  H      -3.344930     -4.719996      1.335196
  H      -4.424148     -3.163740      2.923424
  H      -4.357789      5.905204      6.369014
  H      -2.774601      6.247279      7.070789
  H      -2.359278      7.920457      5.199025
  H      -3.688665      8.321667      6.290006
  H      -4.199650      8.701605      3.832197
  H      -4.022065      6.964141      3.558850
  H      -7.692942      8.048855      7.262396
  H     -10.116225      6.438910      3.717700
  H      -9.585758      5.874138      1.337003
  H      -7.261748      6.126095      0.490716
  H      -5.454023      6.875865      1.980440
  H      -6.066595      2.668324      7.826195
  H      -6.301784      2.311474      6.102557
  H      -6.467413      5.074751      7.390837
  H      -6.420359      4.783813      5.646875
  H      -8.520163      3.383646      7.368589
  H      -8.751538      5.048369      6.858884
  H      -7.724493      2.268096      2.504107
  H     -12.282053      2.876715      2.395556
  H     -13.959907      3.843001      3.980949
  H     -13.228557      4.711132      6.195334
  H     -10.845469      4.628950      6.851846
  N      -4.133019      3.766591      3.066106
  N      -4.901150      3.867046      1.925729
  H      -5.388111      2.979662      1.738310
  H      -5.634433      4.575120      2.057489
99
Coordinates from ORCA-job orca E -6259.052591050173
  N      -2.998681      1.600228      4.579295
  Mo     -3.640732      3.455963      4.762909
  N      -4.489523      3.256061      6.564916
  C      -3.590815      3.205976      7.703746
  C      -2.321372      2.417818      7.370686
  N      -1.614717      2.957536      6.199412
  C      -0.811290      1.953765      5.480017
  C      -1.616641      1.347660      4.306022
  C      -0.925245      4.232917      6.415291
  C      -1.314031      5.133021      5.243666
  N      -2.752797      5.221481      5.202771
  H      -1.287817      1.814020      3.352186
  H      -1.416653      0.263794      4.221167
  H       0.095224      2.443325      5.099418
  H      -0.482820      1.163084      6.177470
  H      -0.844153      6.132340      5.317363
  H      -0.945702      4.668078      4.311862
  H      -1.288539      4.671361      7.355956
  H       0.168586      4.098154      6.513672
  H      -4.076580      2.706462      8.561950
  H      -3.319971      4.223180      8.053954
  H      -2.613340      1.392362      7.111877
  H      -1.655432      2.381990      8.256769
  C      -4.027003      0.929636      3.831495
  C      -4.354149     -0.487861      4.302970
  C      -5.699276     -0.962711      3.711737
  C      -5.759004     -0.871902      2.210963
  N      -6.424075      0.157331      1.686665
  C      -6.435571      0.273283      0.333407
  N      -5.847983     -0.509308     -0.548282
  C      -5.172794     -1.585603     -0.039839
  C      -4.534366     -2.484186     -0.930107
  C      -3.863981     -3.585289     -0.437307
  C      -3.808218     -3.832128      0.954479
  C      -4.415667     -2.968890      1.843041
  C      -5.105728     -1.824312      1.368724
  C      -3.316029      6.215052      6.097209
  C      -3.351445      7.620701      5.479034
  C      -4.301714      7.706282      4.286577
  C      -5.755680      7.549570      4.657970
  N      -6.108513      7.870467      5.899690
  C      -7.407600      7.725010      6.245304
  N      -8.398530      7.283539      5.497673
  C      -8.076075      6.970106      4.204879
  C      -9.100332      6.525404      3.334804
  C      -8.814747      6.248635      2.013405
  C      -7.499787      6.404828      1.521013
  C      -6.479610      6.823172      2.353187
  C      -6.737852      7.101667      3.717857
  C      -5.907815      3.064903      6.804187
  C      -6.732139      4.343565      6.613011
  C      -8.242779      4.110542      6.597235
  C      -8.799994      3.636524      5.279455
  N      -7.959012      3.147455      4.375122
  C      -8.475616      2.705885      3.196434
  N      -9.740584      2.709497      2.822052
  C     -10.629731      3.225639      3.723712
  C     -12.003725      3.288091      3.376193
  C     -12.919924      3.822555      4.260064
  C     -12.501193      4.308841      5.522149
  C     -11.169955      4.253800      5.888388
  C     -10.203997      3.715402      4.999064
  H      -3.810859      0.929821      2.743448
  H      -4.960325      1.525296      3.942244
  H      -4.430324     -0.497715      5.399966
  H      -3.546406     -1.180747      4.023167
  H      -5.892774     -1.998840      4.030521
  H      -6.507971     -0.330539      4.106193
  H      -7.005688      1.125897     -0.057158
  H      -4.597621     -2.277068     -1.999344
  H      -3.376189     -4.279499     -1.123974
  H      -3.282489     -4.715200      1.322069
  H      -4.372397     -3.169845      2.914273
  H      -4.342482      5.926060      6.362763
  H      -2.756665      6.270133      7.054713
  H      -2.341774      7.914504      5.155504
  H      -3.659657      8.341338      6.248772
  H      -4.198190      8.694326      3.799661
  H      -4.015808      6.956875      3.535200
  H      -7.650861      7.998523      7.277126
  H     -10.109272      6.436455      3.736086
  H      -9.605546      5.916056      1.339428
  H      -7.292239      6.192498      0.470006
  H      -5.470019      6.918374      1.952091
  H      -6.070831      2.666064      7.821967
  H      -6.305681      2.315810      6.097936
  H      -6.480597      5.072734      7.396635
  H      -6.432690      4.787922      5.651546
  H      -8.526669      3.365521      7.364165
  H      -8.764359      5.036433      6.876362
  H      -7.749276      2.283698      2.495729
  H     -12.303233      2.908572      2.396801
  H     -13.976517      3.877054      3.987606
  H     -13.239790      4.733592      6.205193
  H     -10.855671      4.637069      6.860098
  N      -4.180086      3.776482      3.086465
  N      -4.980154      3.875441      1.965857
  H      -5.486448      2.991125      1.808401
  H      -5.699669      4.594719      2.113515
99
Coordinates from ORCA-job orca E -6259.053512677708
  N      -3.001297      1.607971      4.568379
  Mo     -3.639713      3.459595      4.765125
  N      -4.493506      3.264741      6.565572
  C      -3.597511      3.215212      7.706840
  C      -2.333092      2.416678      7.380067
  N      -1.617953      2.950045      6.211006
  C      -0.818244      1.939826      5.495681
  C      -1.616835      1.347669      4.309287
  C      -0.923224      4.222890      6.426618
  C      -1.302649      5.121022      5.250173
  N      -2.741105      5.220090      5.202530
  H      -1.273912      1.818549      3.362649
  H      -1.423776      0.263150      4.217643
  H       0.098910      2.419772      5.128175
  H      -0.507162      1.141762      6.192627
  H      -0.825834      6.117410      5.319684
  H      -0.933055      4.649342      4.322139
  H      -1.289221      4.666295      7.363868
  H       0.169537      4.083344      6.531349
  H      -4.087728      2.723443      8.567131
  H      -3.320932      4.232647      8.051344
  H      -2.632990      1.393541      7.120476
  H      -1.671106      2.374488      8.269043
  C      -4.027706      0.926630      3.825689
  C      -4.328715     -0.498073      4.293817
  C      -5.671441     -0.989061      3.710441
  C      -5.741687     -0.900444      2.210196
  N      -6.424577      0.118641      1.689125
  C      -6.449209      0.230694      0.335903
  N      -5.857956     -0.546518     -0.548624
  C      -5.163452     -1.611541     -0.043411
  C      -4.519783     -2.503881     -0.936742
  C      -3.830730     -3.594360     -0.446936
  C      -3.760839     -3.836562      0.944859
  C      -4.372802     -2.979303      1.836273
  C      -5.081896     -1.845580      1.365021
  C      -3.300559      6.226637      6.084410
  C      -3.335209      7.625369      5.449782
  C      -4.294955      7.702945      4.265493
  C      -5.745712      7.546304      4.648890
  N      -6.086296      7.849953      5.898156
  C      -7.381311      7.701757      6.254843
  N      -8.379722      7.272689      5.511250
  C      -8.070874      6.977286      4.210817
  C      -9.103682      6.545220      3.344795
  C      -8.832022      6.290190      2.015980
  C      -7.522795      6.455589      1.511977
  C      -6.493979      6.859795      2.340493
  C      -6.738165      7.115397      3.712241
  C      -5.911675      3.065762      6.800945
  C      -6.741244      4.341016      6.615414
  C      -8.251746      4.100835      6.599688
  C      -8.810561      3.639052      5.277983
  N      -7.970748      3.152838      4.370539
  C      -8.489230      2.720694      3.188974
  N      -9.753813      2.730614      2.814152
  C     -10.641616      3.244606      3.718997
  C     -12.015257      3.314288      3.370824
  C     -12.930425      3.847582      4.257205
  C     -12.510809      4.324643      5.522674
  C     -11.179710      4.261771      5.889860
  C     -10.214636      3.724978      4.997707
  H      -3.818493      0.932815      2.736094
  H      -4.969890      1.507082      3.943930
  H      -4.396690     -0.514927      5.391331
  H      -3.512990     -1.177711      4.005087
  H      -5.850505     -2.027236      4.030780
  H      -6.485669     -0.367438      4.109354
  H      -7.035505      1.073782     -0.051683
  H      -4.594183     -2.300649     -2.005870
  H      -3.339085     -4.283906     -1.135776
  H      -3.220445     -4.711497      1.310136
  H      -4.318238     -3.176637      2.907528
  H      -4.326546      5.943761      6.358079
  H      -2.737665      6.290774      7.039043
  H      -2.326757      7.908465      5.114135
  H      -3.631910      8.357914      6.212310
  H      -4.198113      8.688408      3.771836
  H      -4.014994      6.950648      3.514870
  H      -7.613283      7.960190      7.292972
  H     -10.108116      6.450046      3.755280
  H      -9.629866      5.968895      1.345000
  H      -7.325337      6.259859      0.455935
  H      -5.488160      6.958485      1.930890
  H      -6.073213      2.661151      7.816331
  H      -6.306713      2.318660      6.091317
  H      -6.493183      5.068394      7.401712
  H      -6.443420      4.790102      5.655663
  H      -8.531022      3.343664      7.356753
  H      -8.776442      5.020448      6.892028
  H      -7.764795      2.302026      2.484352
  H     -12.315295      2.941639      2.388887
  H     -13.986738      3.908163      3.984111
  H     -13.248719      4.748422      6.207542
  H     -10.864899      4.637489      6.864349
  N      -4.228146      3.786521      3.108261
  N      -5.059787      3.885166      2.008955
  H      -5.584647      3.005773      1.879734
  H      -5.763065      4.618034      2.168661
99
Coordinates from ORCA-job orca E -6259.054513322724
  N      -3.000637      1.612309      4.558775
  Mo     -3.636199      3.460242      4.766228
  N      -4.498841      3.271451      6.564078
  C      -3.607694      3.223363      7.709713
  C      -2.347377      2.414652      7.392660
  N      -1.621815      2.941074      6.226555
  C      -0.824106      1.924096      5.517477
  C      -1.612956      1.344113      4.317756
  C      -0.922542      4.211889      6.442275
  C      -1.290556      5.107645      5.259801
  N      -2.728686      5.216582      5.201914
  H      -1.253802      1.818106      3.378676
  H      -1.426288      0.258931      4.221247
  H       0.103811      2.394499      5.164368
  H      -0.531338      1.119675      6.214994
  H      -0.807430      6.101262      5.326173
  H      -0.917266      4.629414      4.336464
  H      -1.292951      4.660707      7.375178
  H       0.168946      4.067861      6.555358
  H      -4.103950      2.739890      8.571491
  H      -3.326284      4.241257      8.048340
  H      -2.654169      1.393512      7.132640
  H      -1.691181      2.367177      8.285894
  C      -4.023706      0.919875      3.819243
  C      -4.299409     -0.511577      4.283424
  C      -5.639119     -1.017784      3.706135
  C      -5.718448     -0.928820      2.206599
  N      -6.419037      0.080407      1.690245
  C      -6.455472      0.190985      0.337412
  N      -5.859247     -0.578862     -0.550953
  C      -5.145402     -1.632782     -0.050519
  C      -4.494996     -2.516728     -0.947963
  C      -3.787211     -3.596723     -0.462698
  C      -3.704636     -3.836597      0.928594
  C      -4.322597     -2.987464      1.823871
  C      -5.050828     -1.864583      1.357274
  C      -3.286404      6.236666      6.069122
  C      -3.321090      7.627690      5.416653
  C      -4.289059      7.695850      4.239681
  C      -5.737070      7.540738      4.633272
  N      -6.067308      7.828397      5.888871
  C      -7.358738      7.678025      6.254637
  N      -8.363309      7.260414      5.514399
  C      -8.066088      6.981467      4.207529
  C      -9.105656      6.559915      3.344776
  C      -8.845662      6.324805      2.009816
  C      -7.541655      6.500019      1.496089
  C      -6.505948      6.891867      2.321786
  C      -6.738402      7.126178      3.699401
  C      -5.917263      3.064571      6.794324
  C      -6.751684      4.336702      6.615597
  C      -8.262753      4.091659      6.603909
  C      -8.829534      3.642538      5.280811
  N      -7.996378      3.154505      4.367582
  C      -8.523382      2.731836      3.185968
  N      -9.788897      2.752672      2.815508
  C     -10.669679      3.269627      3.726319
  C     -12.043890      3.351907      3.382630
  C     -12.952474      3.888868      4.274535
  C     -12.525303      4.356261      5.541363
  C     -11.193207      4.280490      5.904415
  C     -10.234522      3.740403      5.006184
  H      -3.819525      0.931704      2.728494
  H      -4.975114      1.484810      3.943166
  H      -4.360188     -0.535568      5.381334
  H      -3.475842     -1.177991      3.986461
  H      -5.804313     -2.058212      4.026224
  H      -6.458821     -0.407224      4.109793
  H      -7.058295      1.024561     -0.045851
  H      -4.579407     -2.315699     -2.016576
  H      -3.290594     -4.279900     -1.154562
  H      -3.149484     -4.703424      1.290388
  H      -4.257872     -3.182880      2.894753
  H      -4.311739      5.959102      6.350131
  H      -2.720908      6.311507      7.021186
  H      -2.313905      7.900086      5.069663
  H      -3.607469      8.372551      6.170628
  H      -4.197951      8.677679      3.737604
  H      -4.014496      6.939147      3.491577
  H      -7.581021      7.922306      7.298101
  H     -10.106019      6.457989      3.762865
  H      -9.649213      6.012899      1.341430
  H      -7.352487      6.319727      0.435949
  H      -5.503327      6.994904      1.905515
  H      -6.077796      2.653666      7.806964
  H      -6.309402      2.319972      6.080868
  H      -6.504559      5.062092      7.403940
  H      -6.456970      4.790193      5.657044
  H      -8.536727      3.323646      7.352366
  H      -8.787675      5.005984      6.910525
  H      -7.805650      2.312085      2.475355
  H     -12.349576      2.986236      2.399649
  H     -14.009199      3.959618      4.004769
  H     -13.258163      4.782867      6.230567
  H     -10.872784      4.648519      6.880090
  N      -4.270598      3.792815      3.129311
  N      -5.129630      3.891084      2.049892
  H      -5.670663      3.016783      1.946588
  H      -5.816313      4.637951      2.216927
99
Coordinates from ORCA-job orca E -6259.055486868052
  N      -3.000311      1.615778      4.548471
  Mo     -3.633434      3.459477      4.766466
  N      -4.503702      3.276938      6.561645
  C      -3.616880      3.230383      7.711220
  C      -2.360564      2.412461      7.403272
  N      -1.625574      2.932058      6.239777
  C      -0.830206      1.908475      5.536610
  C      -1.609830      1.340353      4.324306
  C      -0.922277      4.201047      6.455021
  C      -1.280034      5.093820      5.266885
  N      -2.717704      5.211918      5.199883
  H      -1.235546      1.817738      3.392855
  H      -1.429002      0.254695      4.222534
  H       0.107873      2.369215      5.197395
  H      -0.555316      1.098056      6.234355
  H      -0.790944      6.084799      5.329610
  H      -0.903920      4.608863      4.348102
  H      -1.296624      4.655196      7.383754
  H       0.167992      4.053224      6.575713
  H      -4.118641      2.754981      8.574508
  H      -3.330860      4.248758      8.043981
  H      -2.673605      1.393090      7.143104
  H      -1.709802      2.360437      8.300424
  C      -4.020285      0.911464      3.813254
  C      -4.270107     -0.526056      4.274144
  C      -5.606414     -1.048331      3.703258
  C      -5.695224     -0.959442      2.204460
  N      -6.414337      0.039013      1.692952
  C      -6.462604      0.147831      0.340550
  N      -5.860821     -0.613887     -0.551693
  C      -5.126910     -1.655770     -0.056187
  C      -4.469070     -2.530457     -0.957844
  C      -3.741605     -3.598960     -0.477285
  C      -3.646079     -3.836320      0.913411
  C      -4.270766     -2.996138      1.812657
  C      -5.019102     -1.885084      1.350893
  C      -3.273445      6.244484      6.053371
  C      -3.308714      7.628103      5.384480
  C      -4.285843      7.687780      4.215720
  C      -5.730798      7.535616      4.621138
  N      -6.049191      7.809928      5.882588
  C      -7.336945      7.659222      6.258774
  N      -8.348850      7.252817      5.523627
  C      -8.064743      6.988029      4.210817
  C      -9.112575      6.577697      3.352983
  C      -8.865791      6.360065      2.012433
  C      -7.567100      6.541703      1.488011
  C      -6.523083      6.920700      2.309142
  C      -6.742230      7.136654      3.691935
  C      -5.922375      3.063306      6.786791
  C      -6.760404      4.332965      6.613908
  C      -8.271970      4.084351      6.605330
  C      -8.845540      3.647661      5.280691
  N      -8.018464      3.156538      4.363018
  C      -8.552829      2.742764      3.181250
  N      -9.818789      2.775167      2.813898
  C     -10.693050      3.296517      3.729142
  C     -12.067266      3.392127      3.388427
  C     -12.969708      3.934024      4.284355
  C     -12.536039      4.392417      5.552488
  C     -11.203572      4.303156      5.912826
  C     -10.250838      3.758409      5.010108
  H      -3.822021      0.928366      2.721270
  H      -4.980574      1.460861      3.943450
  H      -4.323507     -0.556426      5.372400
  H      -3.438740     -1.178979      3.969198
  H      -5.757045     -2.090903      4.023242
  H      -6.431697     -0.449178      4.111671
  H      -7.082209      0.971155     -0.038382
  H      -4.563685     -2.331772     -2.025865
  H      -3.239396     -4.275094     -1.172249
  H      -3.075370     -4.694243      1.271557
  H      -4.195655     -3.189479      2.883075
  H      -4.298011      5.971985      6.341769
  H      -2.704949      6.329332      7.002539
  H      -2.303204      7.890341      5.025910
  H      -3.584505      8.384286      6.130652
  H      -4.200013      8.665931      3.705466
  H      -4.018002      6.926520      3.469884
  H      -7.548464      7.891579      7.307013
  H     -10.108732      6.471539      3.779480
  H      -9.676138      6.058072      1.347878
  H      -7.387513      6.374830      0.424144
  H      -5.523971      7.025742      1.885104
  H      -6.082429      2.646583      7.796813
  H      -6.311817      2.321312      6.069529
  H      -6.514031      5.056503      7.404054
  H      -6.467770      4.790089      5.656563
  H      -8.541733      3.306297      7.345256
  H      -8.796667      4.993751      6.925327
  H      -7.841342      2.320577      2.465931
  H     -12.377806      3.032880      2.404472
  H     -14.026410      4.015449      4.016777
  H     -13.264192      4.822835      6.244842
  H     -10.878365      4.664019      6.889638
  N      -4.314249      3.797398      3.150834
  N      -5.200858      3.895735      2.092739
  H      -5.758982      3.028089      2.018693
  H      -5.870029      4.656902      2.266635
99
Coordinates from ORCA-job orca E -6259.056446727327
  N      -2.998557      1.617574      4.538311
  Mo     -3.629342      3.457515      4.765815
  N      -4.508943      3.281419      6.557405
  C      -3.627482      3.236912      7.711945
  C      -2.374459      2.410432      7.414609
  N      -1.629377      2.922755      6.253817
  C      -0.835905      1.892065      5.557663
  C      -1.605104      1.334843      4.332566
  C      -0.922206      4.190188      6.468437
  C      -1.269166      5.080097      5.274484
  N      -2.706357      5.207036      5.197370
  H      -1.214939      1.814929      3.409018
  H      -1.429754      0.248706      4.226381
  H       0.112362      2.342726      5.232908
  H      -0.579561      1.076267      6.256100
  H      -0.774194      6.068411      5.334382
  H      -0.889610      4.588827      4.360371
  H      -1.300875      4.649887      7.392690
  H       0.166748      4.038697      6.597270
  H      -4.135295      2.769350      8.576239
  H      -3.337760      4.255917      8.039012
  H      -2.692863      1.392453      7.154786
  H      -1.729789      2.354944      8.316148
  C      -4.015314      0.901730      3.806731
  C      -4.240280     -0.541091      4.264777
  C      -5.572870     -1.078975      3.699699
  C      -5.670596     -0.990110      2.201665
  N      -6.408216     -0.002660      1.695378
  C      -6.467859      0.105228      0.343591
  N      -5.860061     -0.647528     -0.552865
  C      -5.106173     -1.677241     -0.062711
  C      -4.440341     -2.541746     -0.968901
  C      -3.693067     -3.598459     -0.493503
  C      -3.585012     -3.833956      0.896442
  C      -4.217015     -3.003663      1.799989
  C      -4.985556     -1.904761      1.343535
  C      -3.260779      6.251661      6.036919
  C      -3.297490      7.628186      5.352540
  C      -4.283404      7.680884      4.191898
  C      -5.725567      7.531559      4.607608
  N      -6.034134      7.792359      5.874161
  C      -7.318772      7.640938      6.258487
  N      -8.336677      7.245709      5.526866
  C      -8.063513      6.995253      4.208828
  C      -9.117786      6.595764      3.354090
  C      -8.881463      6.394847      2.008858
  C      -7.587118      6.582850      1.476377
  C      -6.536678      6.949629      2.294687
  C      -6.745365      7.147867      3.681766
  C      -5.927896      3.060201      6.776770
  C      -6.770086      4.327063      6.610584
  C      -8.282290      4.074996      6.607343
  C      -8.865617      3.650342      5.282738
  N      -8.047250      3.153557      4.359717
  C      -8.592075      2.748054      3.179490
  N      -9.858921      2.794337      2.817476
  C     -10.723834      3.323142      3.738005
  C     -12.098166      3.435092      3.402415
  C     -12.991676      3.984746      4.303380
  C     -12.548542      4.433952      5.571705
  C     -11.215480      4.328432      5.927151
  C     -10.271452      3.776255      5.018796
  H      -3.822334      0.922947      2.713652
  H      -4.983955      1.436399      3.942153
  H      -4.286826     -0.577256      5.363267
  H      -3.401340     -1.180758      3.952709
  H      -5.709408     -2.123458      4.019545
  H      -6.403448     -0.490906      4.112499
  H      -7.103961      0.918410     -0.030476
  H      -4.544793     -2.344951     -2.036227
  H      -3.184788     -4.266774     -1.191867
  H      -2.998596     -4.682670      1.250615
  H      -4.131858     -3.195411      2.869825
  H      -4.284354      5.983564      6.332419
  H      -2.689354      6.346841      6.983099
  H      -2.293857      7.880859      4.982934
  H      -3.563204      8.394620      6.091415
  H      -4.202407      8.655856      3.674682
  H      -4.022064      6.915808      3.447795
  H      -7.521182      7.860530      7.311081
  H     -10.110476      6.485140      3.786942
  H      -9.697212      6.102184      1.346933
  H      -7.414863      6.428947      0.409475
  H      -5.540226      7.057381      1.865070
  H      -6.087336      2.636857      7.783794
  H      -6.314108      2.321147      6.055101
  H      -6.523478      5.048749      7.402284
  H      -6.480646      4.787850      5.654140
  H      -8.546927      3.287524      7.339457
  H      -8.805735      4.979702      6.941142
  H      -7.889268      2.320429      2.458969
  H     -12.415855      3.082286      2.418332
  H     -14.048405      4.079164      4.039601
  H     -13.269792      4.870346      6.268092
  H     -10.883166      4.682200      6.904170
  N      -4.352618      3.800316      3.170943
  N      -5.263897      3.898507      2.133459
  H      -5.840369      3.039716      2.090564
  H      -5.913541      4.676217      2.309221
99
Coordinates from ORCA-job orca E -6259.058603544804
  N      -3.000282      1.624434      4.531215
  Mo     -3.626747      3.467199      4.790190
  N      -4.515160      3.281663      6.582220
  C      -3.634503      3.226436      7.744548
  C      -2.382088      2.393536      7.454439
  N      -1.630072      2.906774      6.293560
  C      -0.839959      1.870096      5.593765
  C      -1.599543      1.328451      4.350034
  C      -0.915884      4.173738      6.518769
  C      -1.251327      5.077459      5.326036
  N      -2.693410      5.211462      5.229923
  H      -1.190291      1.805534      3.433159
  H      -1.432841      0.240850      4.240967
  H       0.118811      2.309194      5.284503
  H      -0.603448      1.046191      6.288713
  H      -0.750826      6.062401      5.398851
  H      -0.858949      4.595751      4.411429
  H      -1.298645      4.632963      7.441695
  H       0.170574      4.014745      6.655843
  H      -4.147914      2.757569      8.605744
  H      -3.342341      4.242683      8.077272
  H      -2.705485      1.377275      7.192117
  H      -1.741439      2.330813      8.358974
  C      -4.016708      0.901499      3.793800
  C      -4.222533     -0.551313      4.237955
  C      -5.554809     -1.102703      3.684365
  C      -5.673583     -1.000979      2.189313
  N      -6.432296     -0.020983      1.702927
  C      -6.516944      0.094535      0.352081
  N      -5.916033     -0.645148     -0.560644
  C      -5.138805     -1.665077     -0.089487
  C      -4.475235     -2.513487     -1.012396
  C      -3.702437     -3.560218     -0.557461
  C      -3.565018     -3.802056      0.829060
  C      -4.195091     -2.988070      1.748944
  C      -4.989890     -1.899739      1.313111
  C      -3.254421      6.275084      6.044593
  C      -3.272390      7.636953      5.328572
  C      -4.241790      7.676620      4.150861
  C      -5.698898      7.578755      4.530545
  N      -6.039473      7.868392      5.781353
  C      -7.343086      7.769913      6.124957
  N      -8.352416      7.408039      5.364908
  C      -8.044587      7.125314      4.061769
  C      -9.081245      6.740768      3.178491
  C      -8.802871      6.488847      1.850509
  C      -7.483614      6.614451      1.359710
  C      -6.450804      6.967948      2.206536
  C      -6.703208      7.214792      3.579252
  C      -5.934985      3.049905      6.802044
  C      -6.794420      4.308754      6.661834
  C      -8.302718      4.029154      6.673745
  C      -8.888959      3.601599      5.350906
  N      -8.068168      3.119227      4.423837
  C      -8.612757      2.715770      3.243272
  N      -9.879367      2.754656      2.882476
  C     -10.747160      3.266910      3.810509
  C     -12.122253      3.366628      3.480181
  C     -13.019444      3.892638      4.390817
  C     -12.578958      4.330463      5.662984
  C     -11.244299      4.238164      6.012299
  C     -10.297237      3.708626      5.095208
  H      -3.830568      0.937132      2.698839
  H      -4.994767      1.420520      3.941605
  H      -4.256543     -0.600219      5.337367
  H      -3.377914     -1.177001      3.910905
  H      -5.674078     -2.151043      3.997242
  H      -6.387126     -0.530051      4.114163
  H      -7.165099      0.902918     -0.005417
  H      -4.601914     -2.312707     -2.076492
  H      -3.195777     -4.215268     -1.269314
  H      -2.957505     -4.641855      1.167896
  H      -4.086561     -3.183910      2.815633
  H      -4.282422      6.018932      6.335810
  H      -2.690468      6.383456      6.994333
  H      -2.259333      7.859685      4.962045
  H      -3.532358      8.428744      6.044620
  H      -4.127087      8.629650      3.601380
  H      -3.987554      6.881476      3.435361
  H      -7.569681      8.001050      7.169451
  H     -10.091968      6.669651      3.578829
  H      -9.603818      6.197541      1.170148
  H      -7.276108      6.418271      0.306969
  H      -5.435005      7.028801      1.815140
  H      -6.084820      2.612729      7.805910
  H      -6.319903      2.313709      6.075730
  H      -6.549723      5.023075      7.462548
  H      -6.523173      4.789276      5.709410
  H      -8.545528      3.229971      7.401973
  H      -8.838724      4.922094      7.019799
  H      -7.908178      2.295122      2.519261
  H     -12.437509      3.021985      2.493746
  H     -14.077253      3.975691      4.131565
  H     -13.302632      4.747627      6.367490
  H     -10.914299      4.583879      6.991946
  N      -4.411491      3.828470      3.231504
  N      -5.353277      3.931054      2.222307
  H      -5.920979      3.066026      2.190349
  H      -6.000643      4.706379      2.419266
99
Coordinates from ORCA-job orca E -6259.060973089531
  N      -2.962548      1.602442      4.512055
  Mo     -3.595538      3.456319      4.774270
  N      -4.501785      3.288181      6.563919
  C      -3.625677      3.243297      7.742179
  C      -2.364645      2.406561      7.477318
  N      -1.604432      2.906391      6.305334
  C      -0.808706      1.855827      5.618989
  C      -1.550976      1.298444      4.363817
  C      -0.889287      4.182617      6.520776
  C      -1.217915      5.088003      5.317924
  N      -2.667904      5.210333      5.206544
  H      -1.126141      1.754850      3.443656
  H      -1.383826      0.208305      4.276258
  H       0.157143      2.284200      5.316856
  H      -0.587301      1.040135      6.326835
  H      -0.721003      6.074117      5.400603
  H      -0.808213      4.616787      4.404568
  H      -1.279640      4.652361      7.435547
  H       0.194965      4.024163      6.668914
  H      -4.146485      2.785343      8.606156
  H      -3.337289      4.263718      8.064642
  H      -2.685080      1.384782      7.230688
  H      -1.730028      2.357738      8.387318
  C      -3.975679      0.859272      3.773057
  C      -4.165515     -0.596470      4.224495
  C      -5.496926     -1.164290      3.685404
  C      -5.633365     -1.056198      2.193263
  N      -6.406226     -0.080474      1.725828
  C      -6.513216      0.043534      0.375804
  N      -5.923544     -0.687058     -0.552699
  C      -5.129478     -1.700743     -0.098642
  C      -4.471666     -2.536234     -1.036868
  C      -3.678374     -3.575413     -0.601916
  C      -3.513146     -3.823527      0.780976
  C      -4.138487     -3.023133      1.716364
  C      -4.954328     -1.942868      1.300336
  C      -3.241042      6.276757      6.018980
  C      -3.322885      7.634344      5.295282
  C      -4.349411      7.652584      4.162916
  C      -5.790163      7.536163      4.598869
  N      -6.095072      7.807339      5.861728
  C      -7.388975      7.673301      6.249171
  N      -8.415723      7.289560      5.521816
  C      -8.142770      7.022644      4.208003
  C      -9.192479      6.599238      3.357046
  C      -8.945264      6.347984      2.023169
  C      -7.646834      6.518394      1.487336
  C      -6.600748      6.910242      2.301105
  C      -6.820034      7.153725      3.681320
  C      -5.929600      3.079230      6.774847
  C      -6.759787      4.355314      6.600851
  C      -8.276819      4.122364      6.605945
  C      -8.865190      3.678832      5.287252
  N      -8.056245      3.130971      4.388775
  C      -8.604810      2.717467      3.213768
  N      -9.860213      2.811894      2.828722
  C     -10.714228      3.392343      3.729752
  C     -12.075956      3.549182      3.377001
  C     -12.959315      4.133287      4.263685
  C     -12.517979      4.576040      5.532240
  C     -11.195195      4.431893      5.901246
  C     -10.262993      3.839821      5.010615
  H      -3.793449      0.892334      2.676165
  H      -4.961601      1.365467      3.923895
  H      -4.190514     -0.642966      5.325750
  H      -3.314040     -1.212687      3.893414
  H      -5.603218     -2.213072      3.999580
  H      -6.328828     -0.600219      4.126766
  H      -7.166297      0.851330      0.033884
  H      -4.618716     -2.331834     -2.097578
  H      -3.176029     -4.218854     -1.327000
  H      -2.888424     -4.655902      1.105508
  H      -4.008167     -3.222802      2.779536
  H      -4.252833      5.994199      6.342055
  H      -2.652550      6.407152      6.951517
  H      -2.329831      7.867673      4.878472
  H      -3.567014      8.427142      6.019445
  H      -4.272199      8.598524      3.596767
  H      -4.119252      6.850758      3.445166
  H      -7.587206      7.892934      7.302530
  H     -10.186905      6.483696      3.791039
  H      -9.755811      6.015812      1.373381
  H      -7.462882      6.320808      0.431650
  H      -5.598218      7.011457      1.883828
  H      -6.096628      2.666220      7.788489
  H      -6.320668      2.332892      6.061181
  H      -6.500562      5.080183      7.390009
  H      -6.467754      4.809723      5.641253
  H      -8.553262      3.353741      7.355635
  H      -8.785162      5.043546      6.921357
  H      -7.913999      2.229828      2.517248
  H     -12.391774      3.197858      2.394835
  H     -14.007226      4.256938      3.987526
  H     -13.229461      5.038529      6.218933
  H     -10.864664      4.782640      6.877714
  N      -4.442560      3.807565      3.248566
  N      -5.407207      3.888374      2.264664
  H      -5.958197      3.014067      2.256907
  H      -6.057365      4.659426      2.464932
99
Coordinates from ORCA-job orca E -6259.063259717385
  N      -2.961123      1.601391      4.515575
  Mo     -3.581097      3.458160      4.784158
  N      -4.518182      3.307941      6.562148
  C      -3.659742      3.262645      7.750833
  C      -2.408759      2.409199      7.512517
  N      -1.627514      2.892818      6.351506
  C      -0.833139      1.829122      5.686911
  C      -1.549261      1.278911      4.414070
  C      -0.903360      4.160161      6.576391
  C      -1.197939      5.064952      5.367828
  N      -2.642156      5.203367      5.221125
  H      -1.090726      1.724137      3.505750
  H      -1.396044      0.186498      4.335670
  H       0.147567      2.240944      5.410455
  H      -0.644679      1.010568      6.400751
  H      -0.693736      6.045881      5.461038
  H      -0.770694      4.590508      4.464939
  H      -1.307422      4.637711      7.480826
  H       0.175673      3.989028      6.746955
  H      -4.199200      2.818406      8.609601
  H      -3.363431      4.282225      8.067372
  H      -2.737702      1.389816      7.267273
  H      -1.788889      2.358587      8.431534
  C      -3.960435      0.849309      3.763647
  C      -4.138735     -0.609926      4.205662
  C      -5.465188     -1.180026      3.658663
  C      -5.602363     -1.053235      2.167976
  N      -6.374981     -0.070560      1.713538
  C      -6.483847      0.071312      0.365748
  N      -5.898735     -0.650931     -0.572186
  C      -5.103578     -1.670224     -0.131937
  C      -4.448043     -2.495308     -1.081424
  C      -3.651567     -3.537780     -0.660782
  C      -3.480787     -3.800006      0.718527
  C      -4.104400     -3.010778      1.664566
  C      -4.923662     -1.927946      1.263330
  C      -3.219793      6.293936      5.995586
  C      -3.274813      7.631239      5.234113
  C      -4.291514      7.629577      4.096576
  C      -5.732156      7.547011      4.534960
  N      -6.022674      7.826589      5.798930
  C      -7.315322      7.723405      6.194680
  N      -8.354484      7.364223      5.473869
  C      -8.096348      7.086169      4.158811
  C      -9.159776      6.679624      3.316878
  C      -8.926274      6.412150      1.983793
  C      -7.629718      6.554491      1.437979
  C      -6.570931      6.930855      2.242647
  C      -6.775683      7.185912      3.623183
  C      -5.948244      3.105539      6.760946
  C      -6.781199      4.375280      6.562074
  C      -8.297768      4.135547      6.599946
  C      -8.914741      3.646506      5.309713
  N      -8.127224      3.065356      4.412524
  C      -8.703519      2.611992      3.265443
  N      -9.966811      2.698329      2.904669
  C     -10.800257      3.309992      3.805308
  C     -12.169986      3.458608      3.478026
  C     -13.033569      4.070950      4.366205
  C     -12.563587      4.551185      5.610864
  C     -11.231727      4.417130      5.954146
  C     -10.319471      3.797754      5.060717
  H      -3.766957      0.888162      2.669758
  H      -4.955390      1.342473      3.907795
  H      -4.166610     -0.664465      5.305909
  H      -3.282279     -1.217760      3.873345
  H      -5.565710     -2.232784      3.961423
  H      -6.300536     -0.625997      4.106215
  H      -7.137236      0.885414      0.034924
  H      -4.598975     -2.279762     -2.139318
  H      -3.150787     -4.172758     -1.394620
  H      -2.853256     -4.634452      1.032073
  H      -3.969705     -3.221434      2.725119
  H      -4.239150      6.029156      6.311824
  H      -2.643323      6.440644      6.931995
  H      -2.276308      7.834353      4.817262
  H      -3.510573      8.448979      5.930948
  H      -4.198445      8.555596      3.499968
  H      -4.072371      6.802099      3.405564
  H      -7.501182      7.951673      7.248308
  H     -10.152345      6.586318      3.758086
  H      -9.747203      6.089405      1.342443
  H      -7.454987      6.343089      0.383020
  H      -5.569402      7.005480      1.819282
  H      -6.119509      2.712274      7.780552
  H      -6.336149      2.346091      6.061279
  H      -6.515224      5.119448      7.329641
  H      -6.502995      4.807076      5.587785
  H      -8.555745      3.389960      7.378723
  H      -8.803669      5.063498      6.896991
  H      -8.029620      2.101132      2.569763
  H     -12.508278      3.077065      2.513885
  H     -14.088474      4.186994      4.109725
  H     -13.259718      5.034943      6.299639
  H     -10.878914      4.797273      6.912273
  N      -4.463825      3.817473      3.284830
  N      -5.438681      3.906018      2.310425
  H      -5.987627      3.028752      2.306509
  H      -6.085842      4.677056      2.520538
99
Coordinates from ORCA-job orca E -6259.065781543730
  N      -2.958301      1.586294      4.520683
  Mo     -3.579305      3.443481      4.807772
  N      -4.519806      3.300688      6.584765
  C      -3.666893      3.259294      7.768856
  C      -2.421249      2.407275      7.529265
  N      -1.647283      2.887590      6.369008
  C      -0.850334      1.824883      5.715131
  C      -1.549892      1.265380      4.443222
  C      -0.925572      4.150789      6.596892
  C      -1.211663      5.055492      5.394049
  N      -2.648975      5.190156      5.235425
  H      -1.080751      1.700225      3.537128
  H      -1.396071      0.172768      4.381004
  H       0.132375      2.236732      5.445632
  H      -0.669794      1.009128      6.434302
  H      -0.714146      6.037914      5.499025
  H      -0.775328      4.588871      4.492722
  H      -1.334326      4.627187      7.499471
  H       0.152485      3.976891      6.771063
  H      -4.208546      2.817717      8.625797
  H      -3.369796      4.279882      8.081038
  H      -2.748132      1.386620      7.288044
  H      -1.798287      2.363113      8.444755
  C      -3.941898      0.818453      3.769041
  C      -4.093452     -0.643540      4.203650
  C      -5.417852     -1.225951      3.666472
  C      -5.577227     -1.074528      2.179426
  N      -6.364545     -0.089868      1.752178
  C      -6.489930      0.078516      0.409635
  N      -5.913374     -0.623231     -0.547917
  C      -5.103564     -1.644756     -0.136815
  C      -4.453585     -2.446901     -1.109406
  C      -3.638759     -3.487371     -0.718019
  C      -3.444048     -3.770410      0.653664
  C      -4.063114     -3.004560      1.621441
  C      -4.901119     -1.925188      1.250509
  C      -3.235075      6.296934      5.976728
  C      -3.277176      7.609775      5.175921
  C      -4.288191      7.575108      4.036550
  C      -5.725200      7.531147      4.487756
  N      -5.987454      7.837821      5.751827
  C      -7.274180      7.775912      6.168324
  N      -8.332855      7.432959      5.468879
  C      -8.103917      7.125743      4.154080
  C      -9.191831      6.731013      3.338305
  C      -8.988729      6.431179      2.007219
  C      -7.700655      6.533438      1.436914
  C      -6.619262      6.900337      2.215369
  C      -6.791559      7.183362      3.594528
  C      -5.947895      3.105274      6.783810
  C      -6.773443      4.376245      6.567936
  C      -8.289833      4.144736      6.602021
  C      -8.903536      3.643912      5.315203
  N      -8.116100      3.052212      4.424242
  C      -8.687719      2.601303      3.273462
  N      -9.948111      2.703923      2.902748
  C     -10.782834      3.324164      3.797013
  C     -12.149353      3.489671      3.458891
  C     -13.013526      4.110406      4.341677
  C     -12.547325      4.583612      5.591082
  C     -11.218117      4.435047      5.944135
  C     -10.305756      3.806909      5.056464
  H      -3.750392      0.864605      2.677427
  H      -4.942189      1.292777      3.919387
  H      -4.108368     -0.704072      5.302676
  H      -3.233886     -1.238252      3.858424
  H      -5.498734     -2.284640      3.955249
  H      -6.254706     -0.689837      4.134306
  H      -7.154073      0.896037      0.101612
  H      -4.622353     -2.214708     -2.161238
  H      -3.141617     -4.103975     -1.469768
  H      -2.801710     -4.602258      0.944547
  H      -3.910093     -3.231351      2.676655
  H      -4.256692      6.038718      6.292575
  H      -2.665120      6.467382      6.911412
  H      -2.277332      7.792303      4.756322
  H      -3.509242      8.449345      5.844477
  H      -4.180313      8.473614      3.400584
  H      -4.082058      6.715818      3.381240
  H      -7.435866      8.022710      7.221631
  H     -10.177508      6.670321      3.797568
  H      -9.828290      6.114551      1.387005
  H      -7.549571      6.297398      0.382493
  H      -5.624801      6.943561      1.773119
  H      -6.123514      2.728304      7.807320
  H      -6.335679      2.338952      6.093937
  H      -6.507590      5.122572      7.330933
  H      -6.490183      4.801586      5.592607
  H      -8.552968      3.413932      7.391570
  H      -8.792335      5.079565      6.881191
  H      -8.012025      2.085315      2.583910
  H     -12.485377      3.112990      2.490205
  H     -14.066412      4.238194      4.076833
  H     -13.243413      5.073936      6.276404
  H     -10.867475      4.811380      6.905963
  N      -4.519279      3.800747      3.347639
  N      -5.506888      3.883943      2.387333
  H      -6.047462      3.001890      2.385210
  H      -6.155264      4.650181      2.608273
99
Coordinates from ORCA-job orca E -6259.068405528928
  N      -2.950158      1.564865      4.521825
  Mo     -3.562735      3.430251      4.823227
  N      -4.519719      3.303571      6.590968
  C      -3.680749      3.268847      7.780130
  C      -2.440517      2.411112      7.548093
  N      -1.665876      2.880276      6.385030
  C      -0.865665      1.810480      5.748642
  C      -1.545468      1.237938      4.476230
  C      -0.937125      4.138796      6.613504
  C      -1.205307      5.043435      5.411430
  N      -2.637513      5.176501      5.241504
  H      -1.058999      1.655138      3.571075
  H      -1.394042      0.143567      4.437702
  H       0.121858      2.216494      5.487868
  H      -0.698986      1.001295      6.478545
  H      -0.710350      6.025725      5.529925
  H      -0.759386      4.582319      4.511845
  H      -1.349716      4.620295      7.511731
  H       0.138240      3.956241      6.795278
  H      -4.231149      2.835162      8.635231
  H      -3.381116      4.291248      8.087052
  H      -2.769364      1.389230      7.315071
  H      -1.816623      2.374907      8.463123
  C      -3.917746      0.785378      3.766013
  C      -4.054409     -0.678060      4.195915
  C      -5.376240     -1.268344      3.659462
  C      -5.544290     -1.095221      2.175065
  N      -6.341678     -0.109088      1.767735
  C      -6.473636      0.081871      0.429403
  N      -5.898129     -0.599696     -0.542544
  C      -5.078859     -1.623091     -0.152612
  C      -4.428563     -2.403888     -1.141555
  C      -3.600767     -3.442802     -0.771654
  C      -3.393969     -3.745544      0.593857
  C      -4.014948     -3.001408      1.577366
  C      -4.865931     -1.924536      1.228716
  C      -3.232491      6.296874      5.955917
  C      -3.281552      7.593298      5.129614
  C      -4.303398      7.537450      3.999533
  C      -5.736126      7.512571      4.468796
  N      -5.978155      7.823389      5.736329
  C      -7.260246      7.773593      6.169499
  N      -8.331299      7.438637      5.484312
  C      -8.122126      7.127228      4.166904
  C      -9.224521      6.739691      3.367264
  C      -9.041247      6.430403      2.035184
  C      -7.760170      6.518296      1.448416
  C      -6.665790      6.881611      2.210084
  C      -6.816997      7.172952      3.589151
  C      -5.950497      3.121518      6.779925
  C      -6.763672      4.394835      6.530033
  C      -8.281966      4.188386      6.578873
  C      -8.912852      3.652054      5.315623
  N      -8.145866      3.009322      4.442129
  C      -8.734006      2.530899      3.310881
  N      -9.994061      2.654088      2.942523
  C     -10.808455      3.325000      3.818305
  C     -12.172145      3.514755      3.480588
  C     -13.016527      4.183992      4.347133
  C     -12.532801      4.683145      5.579429
  C     -11.205157      4.513419      5.931027
  C     -10.312899      3.836977      5.059117
  H      -3.721641      0.834319      2.676051
  H      -4.917683      1.250168      3.915940
  H      -4.064646     -0.741860      5.294728
  H      -3.192158     -1.265620      3.845269
  H      -5.444574     -2.331190      3.935778
  H      -6.215342     -0.745179      4.138841
  H      -7.142434      0.902161      0.137845
  H      -4.606171     -2.156164     -2.188515
  H      -3.102583     -4.042113     -1.536507
  H      -2.741006     -4.574849      0.868327
  H      -3.852706     -3.243334      2.628059
  H      -4.250939      6.035316      6.277037
  H      -2.662915      6.490674      6.885956
  H      -2.285598      7.767543      4.697572
  H      -3.508674      8.443917      5.784893
  H      -4.191947      8.417143      3.338541
  H      -4.110063      6.658896      3.365039
  H      -7.405583      8.022497      7.224655
  H     -10.205011      6.689590      3.838876
  H      -9.891561      6.116256      1.428300
  H      -7.625133      6.275389      0.393051
  H      -5.675996      6.916790      1.755472
  H      -6.139781      2.772201      7.810608
  H      -6.335835      2.341568      6.104550
  H      -6.484918      5.155764      7.273274
  H      -6.479523      4.793426      5.544711
  H      -8.550152      3.497191      7.400812
  H      -8.767802      5.142415      6.821702
  H      -8.074449      1.969605      2.640587
  H     -12.522661      3.116364      2.525565
  H     -14.067225      4.329016      4.082348
  H     -13.212590      5.210472      6.253347
  H     -10.840543      4.911120      6.879079
  N      -4.546753      3.785027      3.394731
  N      -5.527732      3.855278      2.434303
  H      -6.066397      2.974067      2.435766
  H      -6.177085      4.623193      2.643647
99
Coordinates from ORCA-job orca E -6259.071239190942
  N      -2.939994      1.552590      4.516205
  Mo     -3.550342      3.419385      4.852934
  N      -4.510771      3.287907      6.612107
  C      -3.678282      3.253893      7.804030
  C      -2.437313      2.400608      7.561444
  N      -1.675221      2.876034      6.389669
  C      -0.866833      1.808900      5.754851
  C      -1.536808      1.229546      4.483552
  C      -0.941603      4.133902      6.622982
  C      -1.206158      5.043611      5.426448
  N      -2.638284      5.167156      5.260868
  H      -1.044917      1.640804      3.577747
  H      -1.379215      0.135061      4.457496
  H       0.119627      2.218861      5.497067
  H      -0.699928      1.002933      6.488206
  H      -0.717591      6.027965      5.557427
  H      -0.756862      4.592190      4.522799
  H      -1.351643      4.612471      7.524234
  H       0.133278      3.946580      6.801831
  H      -4.228069      2.817012      8.657993
  H      -3.380323      4.276838      8.114697
  H      -2.763797      1.377556      7.329977
  H      -1.802266      2.367503      8.469757
  C      -3.893787      0.759566      3.763079
  C      -4.002583     -0.708918      4.183830
  C      -5.323912     -1.320469      3.665547
  C      -5.524111     -1.131899      2.186606
  N      -6.351961     -0.158513      1.807255
  C      -6.509803      0.047570      0.474362
  N      -5.937117     -0.606315     -0.517653
  C      -5.089686     -1.618149     -0.156732
  C      -4.441562     -2.370537     -1.167455
  C      -3.583588     -3.396369     -0.826417
  C      -3.344607     -3.713047      0.530594
  C      -3.964197     -2.996275      1.535458
  C      -4.845410     -1.933410      1.216819
  C      -3.245067      6.294039      5.957102
  C      -3.311246      7.576892      5.111025
  C      -4.342898      7.501301      3.986361
  C      -5.777729      7.492844      4.456666
  N      -6.023705      7.815510      5.721178
  C      -7.310761      7.777786      6.146652
  N      -8.381845      7.446017      5.456865
  C      -8.166362      7.124343      4.143180
  C      -9.267838      6.743807      3.338953
  C      -9.078148      6.423208      2.009730
  C      -7.790723      6.489537      1.433297
  C      -6.697568      6.847652      2.199536
  C      -6.855761      7.154725      3.573551
  C      -5.944195      3.112540      6.793214
  C      -6.746809      4.391865      6.535318
  C      -8.266475      4.210419      6.585243
  C      -8.903276      3.666507      5.330649
  N      -8.149421      2.986415      4.474467
  C      -8.743409      2.499407      3.350995
  N      -9.997455      2.651502      2.971717
  C     -10.797235      3.362389      3.827091
  C     -12.151784      3.584634      3.475895
  C     -12.982987      4.291555      4.324125
  C     -12.494618      4.797082      5.550874
  C     -11.175119      4.597514      5.915012
  C     -10.296043      3.883022      5.061754
  H      -3.705528      0.817323      2.671471
  H      -4.891463      1.211197      3.925068
  H      -3.993656     -0.778295      5.282979
  H      -3.138863     -1.283397      3.814931
  H      -5.364140     -2.387884      3.929734
  H      -6.163855     -0.819544      4.167543
  H      -7.198716      0.856737      0.204835
  H      -4.644137     -2.112291     -2.207609
  H      -3.086684     -3.973500     -1.608563
  H      -2.668020     -4.530908      0.782464
  H      -3.777502     -3.249018      2.579712
  H      -4.257404      6.020942      6.285175
  H      -2.673407      6.512664      6.881246
  H      -2.318907      7.751712      4.667865
  H      -3.538371      8.434686      5.758896
  H      -4.225018      8.363826      3.305092
  H      -4.155120      6.606880      3.370785
  H      -7.461266      8.035420      7.199294
  H     -10.253744      6.708390      3.802756
  H      -9.927820      6.114585      1.398794
  H      -7.652456      6.237904      0.380530
  H      -5.703274      6.872809      1.752122
  H      -6.145322      2.770116      7.825141
  H      -6.325902      2.330627      6.116901
  H      -6.457866      5.151731      7.277138
  H      -6.457860      4.785567      5.550082
  H      -8.544123      3.541584      7.422004
  H      -8.736523      5.177916      6.809064
  H      -8.094829      1.902128      2.700155
  H     -12.506805      3.180049      2.526134
  H     -14.026129      4.460792      4.048630
  H     -13.163049      5.353187      6.211237
  H     -10.807064      5.001461      6.858261
  N      -4.593354      3.776442      3.466779
  N      -5.563073      3.829018      2.506724
  H      -6.100146      2.950488      2.506976
  H      -6.216951      4.598311      2.696610
99
Coordinates from ORCA-job orca E -6259.073909352545
  N      -2.929823      1.547500      4.510854
  Mo     -3.539046      3.409853      4.883089
  N      -4.505312      3.269671      6.627537
  C      -3.677457      3.235547      7.825106
  C      -2.431940      2.388798      7.575373
  N      -1.681600      2.874144      6.394566
  C      -0.861431      1.810247      5.760360
  C      -1.524864      1.228675      4.487135
  C      -0.942000      4.132354      6.634503
  C      -1.202574      5.043783      5.437829
  N      -2.637858      5.157814      5.275850
  H      -1.028623      1.638270      3.582643
  H      -1.361374      0.134818      4.466195
  H       0.123235      2.226037      5.507044
  H      -0.692507      1.007220      6.495796
  H      -0.719996      6.030138      5.574845
  H      -0.750127      4.596338      4.533551
  H      -1.350300      4.608681      7.537748
  H       0.131615      3.940140      6.812436
  H      -4.226410      2.794643      8.677159
  H      -3.383279      4.258510      8.140474
  H      -2.754439      1.364555      7.343429
  H      -1.786629      2.357668      8.476608
  C      -3.872069      0.738440      3.762093
  C      -3.951614     -0.734639      4.175207
  C      -5.270752     -1.368577      3.676622
  C      -5.505670     -1.167246      2.204634
  N      -6.363060     -0.206965      1.854516
  C      -6.547100      0.013605      0.527391
  N      -5.976972     -0.611409     -0.484903
  C      -5.102610     -1.611042     -0.153663
  C      -4.457216     -2.333922     -1.185925
  C      -3.571267     -3.347206     -0.874636
  C      -3.301629     -3.678936      0.472802
  C      -3.918482     -2.990037      1.499279
  C      -4.827829     -1.940596      1.211684
  C      -3.254078      6.292117      5.953018
  C      -3.334285      7.561307      5.088740
  C      -4.376024      7.468592      3.971322
  C      -5.809371      7.475041      4.446985
  N      -6.052362      7.808379      5.709909
  C      -7.341843      7.780292      6.134071
  N      -8.416338      7.448381      5.445521
  C      -8.201864      7.118169      4.134096
  C      -9.305695      6.741918      3.331014
  C      -9.116748      6.413707      2.002607
  C      -7.827125      6.464552      1.428295
  C      -6.730927      6.818161      2.193926
  C      -6.888566      7.136995      3.565550
  C      -5.942733      3.100016      6.795622
  C      -6.735519      4.385618      6.533218
  C      -8.256915      4.226147      6.586211
  C      -8.901771      3.674596      5.340893
  N      -8.161416      2.954981      4.505148
  C      -8.761211      2.458312      3.390747
  N     -10.007292      2.637763      2.997881
  C     -10.791080      3.391692      3.828854
  C     -12.134095      3.646334      3.460413
  C     -12.951153      4.394724      4.285138
  C     -12.459042      4.910852      5.504454
  C     -11.150214      4.681441      5.884770
  C     -10.285073      3.924296      5.056187
  H      -3.693998      0.803763      2.668179
  H      -4.869496      1.176741      3.936625
  H      -3.923265     -0.808967      5.274479
  H      -3.086953     -1.295317      3.787372
  H      -5.281492     -2.439975      3.927925
  H      -6.110709     -0.891168      4.201580
  H      -7.255376      0.811041      0.279736
  H      -4.683771     -2.064447     -2.218522
  H      -3.076416     -3.901633     -1.673910
  H      -2.603471     -4.485989      0.700948
  H      -3.708292     -3.254726      2.536164
  H      -4.262419      6.011255      6.286923
  H      -2.680415      6.533170      6.871034
  H      -2.345464      7.737258      4.634915
  H      -3.560921      8.425603      5.731164
  H      -4.254508      8.316742      3.273607
  H      -4.195206      6.560658      3.372281
  H      -7.492639      8.045530      7.185072
  H     -10.293701      6.716195      3.793165
  H      -9.968389      6.109727      1.391829
  H      -7.692268      6.207244      0.376717
  H      -5.736145      6.836722      1.746860
  H      -6.156215      2.757482      7.826367
  H      -6.318073      2.319802      6.113289
  H      -6.436410      5.144250      7.274130
  H      -6.441894      4.775629      5.547378
  H      -8.542344      3.576463      7.435635
  H      -8.710694      5.204936      6.796187
  H      -8.125422      1.824994      2.760351
  H     -12.492700      3.232539      2.517090
  H     -13.985301      4.588512      3.996174
  H     -13.115471      5.499541      6.146657
  H     -10.779840      5.095622      6.821725
  N      -4.644725      3.769738      3.542685
  N      -5.596469      3.805209      2.579575
  H      -6.135363      2.930297      2.577831
  H      -6.254476      4.579005      2.737984
99
Coordinates from ORCA-job orca E -6259.076340652686
  N      -2.921502      1.548288      4.507094
  Mo     -3.533168      3.399291      4.915587
  N      -4.503349      3.243522      6.642969
  C      -3.677686      3.206488      7.844533
  C      -2.425432      2.371375      7.587645
  N      -1.688131      2.871940      6.400119
  C      -0.853994      1.814383      5.764333
  C      -1.513149      1.234357      4.488381
  C      -0.944897      4.130790      6.649808
  C      -1.202089      5.042784      5.451592
  N      -2.640864      5.146396      5.289945
  H      -1.014678      1.645890      3.586525
  H      -1.345402      0.141495      4.466459
  H       0.127533      2.239027      5.515477
  H      -0.680360      1.012997      6.499629
  H      -0.727915      6.032002      5.591832
  H      -0.744711      4.597785      4.549066
  H      -1.353404      4.603263      7.554754
  H       0.127260      3.934721      6.828134
  H      -4.225067      2.757225      8.692610
  H      -3.390783      4.229093      8.166651
  H      -2.740445      1.345652      7.352097
  H      -1.770790      2.341841      8.481221
  C      -3.854154      0.722398      3.762709
  C      -3.902964     -0.754246      4.168256
  C      -5.218472     -1.409492      3.688359
  C      -5.487532     -1.195994      2.224042
  N      -6.373651     -0.249532      1.903203
  C      -6.584369     -0.015605      0.582763
  N      -6.017332     -0.612497     -0.449101
  C      -5.116522     -1.598685     -0.147493
  C      -4.474423     -2.292566     -1.200436
  C      -3.561685     -3.292520     -0.918949
  C      -3.262137     -3.637817      0.418095
  C      -3.875411     -2.976363      1.465536
  C      -4.811555     -1.941367      1.209068
  C      -3.265439      6.288760      5.946886
  C      -3.355683      7.543234      5.063631
  C      -4.402984      7.433441      3.951336
  C      -5.836062      7.456928      4.426980
  N      -6.079852      7.804811      5.687282
  C      -7.371851      7.791758      6.105072
  N      -8.448243      7.463092      5.413902
  C      -8.231896      7.120972      4.105800
  C      -9.336064      6.753588      3.299154
  C      -9.144268      6.414320      1.972701
  C      -7.851018      6.442486      1.405819
  C      -6.753318      6.787900      2.175546
  C      -6.914242      7.121150      3.543897
  C      -5.943708      3.079029      6.801142
  C      -6.727108      4.371625      6.545911
  C      -8.249796      4.228065      6.602904
  C      -8.902265      3.674508      5.363223
  N      -8.173977      2.920685      4.545483
  C      -8.777920      2.420228      3.436548
  N     -10.015181      2.626427      3.028859
  C     -10.784156      3.417337      3.838455
  C     -12.114748      3.704092      3.451561
  C     -12.918777      4.488685      4.254848
  C     -12.424584      5.010284      5.470072
  C     -11.127216      4.751008      5.867816
  C     -10.274969      3.956421      5.061992
  H      -3.687319      0.795748      2.667420
  H      -4.854128      1.145098      3.949529
  H      -3.855338     -0.833800      5.266879
  H      -3.037255     -1.299720      3.761568
  H      -5.200338     -2.484168      3.925621
  H      -6.057736     -0.956612      4.235904
  H      -7.313635      0.768620      0.356762
  H      -4.724615     -2.012974     -2.224965
  H      -3.069453     -3.824715     -1.734642
  H      -2.543541     -4.433463      0.622465
  H      -3.641850     -3.252117      2.494555
  H      -4.271479      6.004096      6.284553
  H      -2.691571      6.549236      6.859466
  H      -2.369398      7.719376      4.602924
  H      -3.582874      8.414064      5.698255
  H      -4.275295      8.267036      3.237565
  H      -4.227956      6.512599      3.369786
  H      -7.526139      8.069338      7.152631
  H     -10.327294      6.743149      3.755587
  H      -9.996617      6.118325      1.358900
  H      -7.716427      6.177388      0.356223
  H      -5.756796      6.794632      1.732147
  H      -6.163734      2.728035      7.828117
  H      -6.314950      2.306276      6.108969
  H      -6.418855      5.124195      7.290147
  H      -6.430840      4.764926      5.561735
  H      -8.540627      3.589357      7.459193
  H      -8.689093      5.214333      6.808023
  H      -8.155401      1.756445      2.823525
  H     -12.475333      3.285200      2.511654
  H     -13.943536      4.707083      3.951587
  H     -13.070038      5.627907      6.095432
  H     -10.755738      5.171859      6.801045
  N      -4.702734      3.762530      3.624708
  N      -5.634741      3.783952      2.657160
  H      -6.175740      2.910782      2.649660
  H      -6.295497      4.563536      2.777603
99
Coordinates from ORCA-job orca E -6259.078434593865
  N      -2.914930      1.553825      4.505209
  Mo     -3.533143      3.388349      4.947493
  N      -4.505833      3.212013      6.656488
  C      -3.680986      3.172149      7.860537
  C      -2.420042      2.353305      7.597593
  N      -1.695714      2.871120      6.405831
  C      -0.846918      1.821758      5.767970
  C      -1.502708      1.244356      4.489571
  C      -0.951739      4.131020      6.666291
  C      -1.204107      5.040721      5.463919
  N      -2.645785      5.133672      5.297479
  H      -1.003700      1.658852      3.590469
  H      -1.333412      0.152523      4.463486
  H       0.130339      2.257102      5.522581
  H      -0.666747      1.021754      6.502363
  H      -0.740461      6.033750      5.604341
  H      -0.738857      4.595931      4.566156
  H      -1.363965      4.600332      7.570852
  H       0.118617      3.932244      6.848146
  H      -4.226310      2.710788      8.702650
  H      -3.405875      4.194938      8.190317
  H      -2.723951      1.325457      7.357086
  H      -1.757899      2.326907      8.484131
  C      -3.840244      0.711788      3.764517
  C      -3.859216     -0.766809      4.164388
  C      -5.169880     -1.440981      3.699598
  C      -5.468082     -1.216384      2.242420
  N      -6.377512     -0.281180      1.947264
  C      -6.610634     -0.035038      0.633648
  N      -6.046355     -0.607280     -0.414911
  C      -5.123903     -1.581729     -0.139358
  C      -4.484714     -2.249926     -1.209840
  C      -3.550335     -3.238692     -0.954881
  C      -3.226566     -3.596352      0.372273
  C      -3.836426     -2.959132      1.437748
  C      -4.794030     -1.936683      1.208958
  C      -3.277244      6.286742      5.930762
  C      -3.372765      7.524550      5.026822
  C      -4.424894      7.395543      3.921807
  C      -5.855342      7.435626      4.402450
  N      -6.092066      7.799348      5.661750
  C      -7.382142      7.802417      6.081439
  N      -8.464580      7.475596      5.395316
  C      -8.255664      7.119768      4.089441
  C      -9.365053      6.759813      3.286947
  C      -9.180045      6.408607      1.961349
  C      -7.888647      6.415849      1.392245
  C      -6.784282      6.755024      2.158320
  C      -6.938357      7.101498      3.524915
  C      -5.948471      3.051798      6.808172
  C      -6.723357      4.351286      6.565224
  C      -8.247271      4.220618      6.626031
  C      -8.905343      3.667927      5.388522
  N      -8.188367      2.880839      4.589567
  C      -8.793748      2.381085      3.482465
  N     -10.019749      2.616892      3.055532
  C     -10.774385      3.443298      3.843576
  C     -12.089513      3.765855      3.433771
  C     -12.880344      4.586810      4.214160
  C     -12.386705      5.110292      5.428307
  C     -11.103362      4.817470      5.847732
  C     -10.264556      3.984958      5.066439
  H      -3.683099      0.792507      2.669126
  H      -4.844843      1.117425      3.960834
  H      -3.794659     -0.850413      5.261857
  H      -2.991823     -1.296981      3.741679
  H      -5.126267     -2.518067      3.923179
  H      -6.008309     -1.011414      4.266872
  H      -7.357866      0.737638      0.426498
  H      -4.754310     -1.961020     -2.226881
  H      -3.060647     -3.751244     -1.784559
  H      -2.491777     -4.382417      0.555725
  H      -3.583649     -3.245355      2.459400
  H      -4.283281      6.004071      6.270775
  H      -2.704474      6.563524      6.838463
  H      -2.388795      7.698899      4.560353
  H      -3.600245      8.402811      5.651065
  H      -4.293466      8.213443      3.190559
  H      -4.256683      6.461702      3.358982
  H      -7.533097      8.095549      7.125631
  H     -10.355461      6.764464      3.744852
  H     -10.037245      6.119660      1.350913
  H      -7.761157      6.143132      0.343631
  H      -5.789956      6.751680      1.710290
  H      -6.170152      2.688485      7.830232
  H      -6.317311      2.289187      6.105238
  H      -6.406463      5.096682      7.313167
  H      -6.427047      4.749501      5.583113
  H      -8.543557      3.589051      7.486001
  H      -8.673105      5.212733      6.829506
  H      -8.184302      1.690830      2.885275
  H     -12.449759      3.344756      2.494627
  H     -13.893488      4.832918      3.893124
  H     -13.020853      5.757470      6.035168
  H     -10.732141      5.242912      6.779048
  N      -4.760142      3.753063      3.703677
  N      -5.670783      3.760299      2.728417
  H      -6.212154      2.886828      2.711197
  H      -6.331830      4.546419      2.804148
99
Coordinates from ORCA-job orca E -6259.080119741154
  N      -2.911626      1.558358      4.507717
  Mo     -3.537050      3.377133      4.977053
  N      -4.514749      3.184153      6.670744
  C      -3.692225      3.141172      7.877338
  C      -2.424191      2.337108      7.613311
  N      -1.707285      2.867107      6.420828
  C      -0.847471      1.823447      5.784260
  C      -1.497034      1.247756      4.502770
  C      -0.963982      4.127026      6.690590
  C      -1.202574      5.031039      5.480806
  N      -2.643930      5.118698      5.297303
  H      -0.992953      1.661500      3.607085
  H      -1.332163      0.155932      4.474785
  H       0.127380      2.266206      5.543145
  H      -0.665052      1.024487      6.518677
  H      -0.747822      6.027240      5.621165
  H      -0.723650      4.583747      4.592104
  H      -1.385529      4.597896      7.589795
  H       0.103413      3.924795      6.883373
  H      -4.238190      2.667686      8.711869
  H      -3.429374      4.164308      8.214576
  H      -2.717133      1.306921      7.369402
  H      -1.759152      2.315470      8.496564
  C      -3.831150      0.704180      3.766769
  C      -3.827517     -0.775050      4.162798
  C      -5.133733     -1.461087      3.704489
  C      -5.450306     -1.222998      2.252968
  N      -6.374345     -0.293579      1.978750
  C      -6.622673     -0.033544      0.671765
  N      -6.060611     -0.585243     -0.390170
  C      -5.123993     -1.552497     -0.136215
  C      -4.486560     -2.198741     -1.220903
  C      -3.537905     -3.180582     -0.988385
  C      -3.198429     -3.551852      0.330142
  C      -3.806177     -2.935763      1.410188
  C      -4.777658     -1.921638      1.204633
  C      -3.279298      6.288192      5.899128
  C      -3.372040      7.505753      4.969189
  C      -4.429465      7.357818      3.873677
  C      -5.855988      7.420386      4.362231
  N      -6.080672      7.801122      5.620728
  C      -7.366260      7.825813      6.046958
  N      -8.457386      7.504572      5.370193
  C      -8.261639      7.133432      4.066210
  C      -9.379538      6.784001      3.271319
  C      -9.206727      6.418549      1.946900
  C      -7.919820      6.400938      1.371289
  C      -6.806067      6.731677      2.129817
  C      -6.947918      7.091995      3.494461
  C      -5.959392      3.031500      6.820227
  C      -6.727845      4.336111      6.588814
  C      -8.252742      4.210797      6.655820
  C      -8.914802      3.654502      5.420685
  N      -8.205518      2.842456      4.637197
  C      -8.809908      2.342755      3.530360
  N     -10.027331      2.598577      3.087665
  C     -10.773118      3.448919      3.860146
  C     -12.077139      3.794090      3.433570
  C     -12.860432      4.638364      4.198053
  C     -12.369073      5.163369      5.412370
  C     -11.094994      4.850080      5.847204
  C     -10.264064      3.993604      5.082817
  H      -3.676244      0.791062      2.672743
  H      -4.840712      1.093273      3.964870
  H      -3.752679     -0.861973      5.259153
  H      -2.957382     -1.292736      3.730621
  H      -5.073079     -2.540102      3.914734
  H      -5.971623     -1.050496      4.286274
  H      -7.382312      0.732010      0.480902
  H      -4.768847     -1.899513     -2.231466
  H      -3.049974     -3.676105     -1.829475
  H      -2.453139     -4.331818      0.496438
  H      -3.540746     -3.233370      2.425406
  H      -4.287665      6.015500      6.240489
  H      -2.709350      6.580047      6.802810
  H      -2.389441      7.669923      4.497063
  H      -3.595806      8.395180      5.577687
  H      -4.293708      8.155700      3.121089
  H      -4.272940      6.409014      3.332904
  H      -7.508955      8.137373      7.087371
  H     -10.367081      6.807350      3.733806
  H     -10.071610      6.138015      1.343436
  H      -7.801823      6.118898      0.323900
  H      -5.815109      6.715173      1.674518
  H      -6.179465      2.658060      7.838221
  H      -6.329583      2.278161      6.109745
  H      -6.403588      5.076485      7.338209
  H      -6.435977      4.737471      5.606929
  H      -8.549027      3.584389      7.519486
  H      -8.671833      5.206006      6.856912
  H      -8.208886      1.635055      2.944952
  H     -12.435710      3.370870      2.494345
  H     -13.865398      4.901613      3.864005
  H     -12.996408      5.829476      6.006285
  H     -10.724690      5.279588      6.777252
  N      -4.804202      3.742635      3.769326
  N      -5.696600      3.740029      2.784428
  H      -6.238508      2.866272      2.756925
  H      -6.349788      4.536031      2.815613
99
Coordinates from ORCA-job orca E -6259.081494772950
  N      -2.917780      1.571468      4.506966
  Mo     -3.551769      3.373062      5.008183
  N      -4.526764      3.158951      6.693217
  C      -3.703463      3.109498      7.899494
  C      -2.429457      2.320628      7.626857
  N      -1.721504      2.864222      6.434588
  C      -0.855324      1.828697      5.792288
  C      -1.502393      1.258270      4.508433
  C      -0.980207      4.123420      6.713032
  C      -1.203597      5.021526      5.496194
  N      -2.643102      5.107871      5.293864
  H      -0.995719      1.673496      3.615439
  H      -1.343563      0.166287      4.475072
  H       0.116118      2.279402      5.552271
  H      -0.667635      1.027677      6.522780
  H      -0.755596      6.020086      5.636494
  H      -0.711131      4.571548      4.616599
  H      -1.412512      4.596724      7.605697
  H       0.084231      3.918215      6.917895
  H      -4.246906      2.619727      8.726002
  H      -3.452757      4.131589      8.248065
  H      -2.711998      1.288796      7.377976
  H      -1.760561      2.301753      8.506496
  C      -3.834261      0.710375      3.765313
  C      -3.810708     -0.769776      4.156201
  C      -5.111079     -1.468137      3.699839
  C      -5.438223     -1.223150      2.251473
  N      -6.373816     -0.300323      1.987876
  C      -6.630852     -0.034444      0.684834
  N      -6.066770     -0.572540     -0.383982
  C      -5.118179     -1.531026     -0.141096
  C      -4.477603     -2.162196     -1.232683
  C      -3.517060     -3.135997     -1.011901
  C      -3.168990     -3.513204      0.301931
  C      -3.779450     -2.911438      1.389321
  C      -4.762481     -1.906540      1.195804
  C      -3.278807      6.295319      5.863309
  C      -3.363186      7.492767      4.908463
  C      -4.426198      7.325061      3.823534
  C      -5.847204      7.404071      4.325528
  N      -6.053809      7.801299      5.583749
  C      -7.331566      7.840341      6.025717
  N      -8.433406      7.516029      5.367232
  C      -8.257489      7.129065      4.064834
  C      -9.387197      6.779365      3.287527
  C      -9.234500      6.399772      1.963970
  C      -7.956886      6.368209      1.371367
  C      -6.830597      6.700606      2.112374
  C      -6.951996      7.073984      3.475587
  C      -5.972990      3.016294      6.843705
  C      -6.733565      4.325268      6.614855
  C      -8.259808      4.205725      6.683600
  C      -8.922375      3.642494      5.450090
  N      -8.221239      2.802780      4.686414
  C      -8.822022      2.301213      3.579120
  N     -10.028815      2.577196      3.116953
  C     -10.766205      3.453087      3.869912
  C     -12.057841      3.819341      3.423450
  C     -12.833746      4.689113      4.167994
  C     -12.346195      5.220015      5.381231
  C     -11.082744      4.887286      5.834778
  C     -10.259893      4.004146      5.091595
  H      -3.679783      0.805246      2.672918
  H      -4.847922      1.083547      3.964453
  H      -3.729056     -0.859693      5.251596
  H      -2.936521     -1.275163      3.717946
  H      -5.035374     -2.547992      3.900941
  H      -5.950662     -1.074052      4.290440
  H      -7.401648      0.722284      0.502015
  H      -4.767067     -1.858673     -2.239907
  H      -3.027218     -3.619783     -1.858786
  H      -2.415019     -4.286517      0.459837
  H      -3.507036     -3.214365      2.401167
  H      -4.291359      6.037411      6.204083
  H      -2.712608      6.598462      6.764599
  H      -2.381146      7.645324      4.432327
  H      -3.583388      8.393432      5.500447
  H      -4.291389      8.102799      3.049815
  H      -4.279656      6.363013      3.303884
  H      -7.460411      8.171257      7.062249
  H     -10.368067      6.814201      3.762558
  H     -10.109644      6.119866      1.375186
  H      -7.853719      6.077155      0.324721
  H      -5.846888      6.679761      1.641537
  H      -6.192094      2.637609      7.859219
  H      -6.346434      2.270062      6.128685
  H      -6.403398      5.065126      7.361671
  H      -6.444019      4.722629      5.630878
  H      -8.558042      3.587507      7.552219
  H      -8.674163      5.204438      6.876566
  H      -8.228567      1.574854      3.008925
  H     -12.413481      3.391094      2.485029
  H     -13.829514      4.968133      3.818450
  H     -12.966885      5.906642      5.959011
  H     -10.714367      5.322850      6.763049
  N      -4.846703      3.741464      3.828275
  N      -5.728271      3.732511      2.837485
  H      -6.269138      2.858521      2.797418
  H      -6.368666      4.539385      2.832397
99
Coordinates from ORCA-job orca E -6259.082683821818
  N      -2.917913      1.579885      4.509722
  Mo     -3.563635      3.366403      5.036866
  N      -4.538745      3.136186      6.718244
  C      -3.718229      3.079974      7.926981
  C      -2.438319      2.304553      7.650506
  N      -1.734336      2.857373      6.460262
  C      -0.863094      1.828755      5.814881
  C      -1.502707      1.261347      4.526791
  C      -0.997460      4.116740      6.744599
  C      -1.196627      5.005624      5.517789
  N      -2.631751      5.093533      5.284719
  H      -0.988105      1.674683      3.637499
  H      -1.351517      0.168716      4.492336
  H       0.106446      2.285632      5.578072
  H      -0.673219      1.025307      6.541971
  H      -0.754239      6.006062      5.660122
  H      -0.684231      4.552178      4.651356
  H      -1.446765      4.597322      7.624888
  H       0.062632      3.909852      6.970152
  H      -4.261344      2.573582      8.743884
  H      -3.479917      4.100208      8.288956
  H      -2.710582      1.270635      7.399055
  H      -1.769614      2.290017      8.530330
  C      -3.829561      0.713398      3.764981
  C      -3.791451     -0.766884      4.154345
  C      -5.088193     -1.472927      3.699276
  C      -5.425585     -1.217375      2.255214
  N      -6.369079     -0.297802      2.006468
  C      -6.639211     -0.022977      0.708972
  N      -6.079122     -0.548066     -0.369279
  C      -5.120860     -1.500720     -0.141972
  C      -4.482816     -2.117242     -1.243546
  C      -3.513072     -3.085725     -1.039180
  C      -3.153067     -3.471962      0.268339
  C      -3.760632     -2.884586      1.365726
  C      -4.752420     -1.885979      1.188920
  C      -3.269832      6.298265      5.820004
  C      -3.345758      7.477039      4.841284
  C      -4.415685      7.298669      3.766289
  C      -5.833682      7.395433      4.275614
  N      -6.031855      7.801751      5.533479
  C      -7.305940      7.856987      5.980439
  N      -8.413614      7.539013      5.328312
  C      -8.246993      7.145351      4.026483
  C      -9.382123      6.806317      3.252549
  C      -9.237648      6.420716      1.929182
  C      -7.963379      6.372829      1.332645
  C      -6.831453      6.696000      2.070014
  C      -6.945066      7.074749      3.432238
  C      -5.986626      3.004202      6.871786
  C      -6.742945      4.315665      6.645541
  C      -8.270553      4.194101      6.714384
  C      -8.933637      3.627487      5.480904
  N      -8.236474      2.778709      4.722415
  C      -8.834324      2.282765      3.611106
  N     -10.036879      2.568868      3.141749
  C     -10.772822      3.447952      3.893111
  C     -12.062057      3.819371      3.443636
  C     -12.838331      4.690182      4.187876
  C     -12.353013      5.217741      5.403458
  C     -11.090448      4.881288      5.859203
  C     -10.267598      3.996753      5.116729
  H      -3.669076      0.813597      2.674412
  H      -4.849202      1.072247      3.958723
  H      -3.705801     -0.857600      5.249280
  H      -2.913574     -1.263730      3.713813
  H      -5.002298     -2.553649      3.890882
  H      -5.927291     -1.092405      4.299145
  H      -7.418852      0.728391      0.539271
  H      -4.781682     -1.807304     -2.245982
  H      -3.025829     -3.557845     -1.894231
  H      -2.392374     -4.240850      0.414389
  H      -3.478814     -3.194855      2.372739
  H      -4.286163      6.053642      6.158910
  H      -2.710011      6.613122      6.720653
  H      -2.364195      7.614749      4.360743
  H      -3.559249      8.388348      5.418211
  H      -4.279661      8.058585      2.975298
  H      -4.280922      6.326134      3.263276
  H      -7.428470      8.199893      7.014200
  H     -10.360811      6.853630      3.730258
  H     -10.118195      6.148628      1.344911
  H      -7.864081      6.076945      0.286959
  H      -5.849079      6.664646      1.596728
  H      -6.203959      2.622263      7.885796
  H      -6.365538      2.263159      6.154740
  H      -6.411231      5.054748      7.392095
  H      -6.456277      4.711087      5.660041
  H      -8.565226      3.576903      7.584689
  H      -8.687061      5.192418      6.904298
  H      -8.242056      1.554830      3.041783
  H     -12.415985      3.393215      2.503360
  H     -13.832638      4.972138      3.835921
  H     -12.973541      5.905093      5.981112
  H     -10.723274      5.314728      6.789091
  N      -4.867603      3.735026      3.867680
  N      -5.741652      3.721181      2.872273
  H      -6.281987      2.847769      2.820696
  H      -6.361733      4.541903      2.832184
99
Coordinates from ORCA-job orca E -6259.083717128776
  N      -2.933702      1.600576      4.501045
  Mo     -3.589077      3.369138      5.070829
  N      -4.547415      3.115873      6.758449
  C      -3.721274      3.046202      7.962646
  C      -2.437962      2.285122      7.663641
  N      -1.749167      2.854270      6.472291
  C      -0.877254      1.839329      5.808745
  C      -1.519218      1.281069      4.518994
  C      -1.017317      4.113598      6.762285
  C      -1.201312      4.997619      5.531583
  N      -2.632933      5.086654      5.280230
  H      -1.005161      1.699653      3.631523
  H      -1.370486      0.188536      4.477251
  H       0.087125      2.306061      5.569625
  H      -0.676144      1.028852      6.524920
  H      -0.762633      5.999035      5.678122
  H      -0.676993      4.544986      4.671742
  H      -1.479295      4.597085      7.634483
  H       0.040195      3.907283      7.001588
  H      -4.255652      2.518787      8.772132
  H      -3.490732      4.061457      8.343446
  H      -2.702620      1.250825      7.406087
  H      -1.761252      2.269494      8.537695
  C      -3.841612      0.731243      3.756984
  C      -3.786130     -0.750833      4.138541
  C      -5.076003     -1.470999      3.683918
  C      -5.420212     -1.216201      2.241559
  N      -6.374236     -0.305820      1.996247
  C      -6.651983     -0.034712      0.699969
  N      -6.089334     -0.552987     -0.380567
  C      -5.118731     -1.493621     -0.156864
  C      -4.475850     -2.101367     -1.260423
  C      -3.493953     -3.058488     -1.059672
  C      -3.126280     -3.441671      0.246416
  C      -3.738305     -2.862454      1.345910
  C      -4.742289     -1.875755      1.172715
  C      -3.272777      6.303059      5.790534
  C      -3.342772      7.466305      4.793724
  C      -4.418159      7.273562      3.726804
  C      -5.832873      7.376631      4.246633
  N      -6.019592      7.795552      5.502546
  C      -7.288570      7.854971      5.961569
  N      -8.402306      7.527319      5.324563
  C      -8.248044      7.121243      4.025201
  C      -9.390330      6.771738      3.266958
  C      -9.259342      6.374073      1.945626
  C      -7.991775      6.323898      1.335714
  C      -6.852551      6.657306      2.057559
  C      -6.952261      7.047750      3.417410
  C      -5.996453      2.998444      6.917614
  C      -6.743073      4.314026      6.685110
  C      -8.271747      4.198690      6.748300
  C      -8.928979      3.624854      5.514694
  N      -8.239645      2.748798      4.780069
  C      -8.829162      2.249638      3.666034
  N     -10.017732      2.555054      3.173120
  C     -10.747081      3.458991      3.900588
  C     -12.021485      3.849650      3.425719
  C     -12.791743      4.746458      4.145118
  C     -12.314955      5.282094      5.360356
  C     -11.066258      4.927317      5.840765
  C     -10.249662      4.015860      5.124144
  H      -3.682386      0.840763      2.666939
  H      -4.864202      1.075501      3.954580
  H      -3.696160     -0.844279      5.232988
  H      -2.904025     -1.236319      3.693961
  H      -4.975558     -2.551153      3.871510
  H      -5.917944     -1.103885      4.288082
  H      -7.442198      0.705624      0.532733
  H      -4.780731     -1.794315     -2.261930
  H      -3.003428     -3.523681     -1.916665
  H      -2.356301     -4.201586      0.390455
  H      -3.450455     -3.170319      2.351957
  H      -4.291766      6.067390      6.127687
  H      -2.718489      6.627636      6.691053
  H      -2.361580      7.594652      4.310326
  H      -3.553996      8.386107      5.357941
  H      -4.287375      8.019020      2.921589
  H      -4.286963      6.293387      3.237503
  H      -7.401898      8.211189      6.991750
  H     -10.364015      6.821487      3.754734
  H     -10.146042      6.094643      1.374293
  H      -7.901509      6.018848      0.291827
  H      -5.875316      6.625976      1.573644
  H      -6.215514      2.619789      7.932224
  H      -6.383032      2.260451      6.201131
  H      -6.409166      5.055663      7.427988
  H      -6.453127      4.700741      5.697169
  H      -8.571113      3.590555      7.623214
  H      -8.686348      5.199952      6.925820
  H      -8.243409      1.500103      3.117859
  H     -12.369137      3.417059      2.486048
  H     -13.774657      5.042501      3.773234
  H     -12.930330      5.989825      5.918570
  H     -10.705041      5.366823      6.770086
  N      -4.905106      3.741858      3.918460
  N      -5.782481      3.729565      2.929442
  H      -6.324201      2.859073      2.867645
  H      -6.382938      4.562940      2.870615
99
Coordinates from ORCA-job orca E -6259.084604904278
  N      -2.933712      1.610442      4.496253
  Mo     -3.602346      3.362738      5.098234
  N      -4.551673      3.094495      6.791172
  C      -3.727039      3.015942      7.996133
  C      -2.437635      2.268326      7.685908
  N      -1.760357      2.848276      6.493248
  C      -0.882832      1.846156      5.818763
  C      -1.519543      1.290677      4.525407
  C      -1.036301      4.110447      6.785972
  C      -1.197444      4.985472      5.547179
  N      -2.624978      5.072848      5.267698
  H      -1.000507      1.709316      3.640698
  H      -1.370987      0.198343      4.484424
  H       0.076858      2.323366      5.581227
  H      -0.672243      1.031690      6.527585
  H      -0.764501      5.988393      5.700072
  H      -0.655391      4.533237      4.698190
  H      -1.517654      4.601180      7.643639
  H       0.016579      3.907570      7.048888
  H      -4.256361      2.470491      8.797099
  H      -3.506467      4.026832      8.394014
  H      -2.692763      1.231913      7.427518
  H      -1.756859      2.257046      8.557199
  C      -3.833252      0.734776      3.752215
  C      -3.766892     -0.747452      4.133717
  C      -5.053580     -1.476652      3.684136
  C      -5.410436     -1.215965      2.246392
  N      -6.373457     -0.311651      2.014853
  C      -6.665981     -0.036075      0.722830
  N      -6.108772     -0.543159     -0.365985
  C      -5.127193     -1.475666     -0.156466
  C      -4.487599     -2.070032     -1.269034
  C      -3.494857     -3.019014     -1.082605
  C      -3.112584     -3.407242      0.217822
  C      -3.721032     -2.840974      1.326080
  C      -4.735897     -1.862835      1.167582
  C      -3.273475      6.294538      5.759291
  C      -3.340546      7.448268      4.751052
  C      -4.420962      7.254767      3.688676
  C      -5.834912      7.363778      4.210504
  N      -6.021652      7.782844      5.466462
  C      -7.291476      7.844851      5.924225
  N      -8.405704      7.518320      5.285970
  C      -8.250766      7.114186      3.986162
  C      -9.392568      6.767673      3.225515
  C      -9.260415      6.372104      1.903293
  C      -7.992084      6.320335      1.295096
  C      -6.853246      6.651002      2.019015
  C      -6.954177      7.039669      3.379528
  C      -6.002457      2.989793      6.954149
  C      -6.742786      4.308496      6.715270
  C      -8.272923      4.197522      6.771130
  C      -8.930073      3.626685      5.536231
  N      -8.247535      2.743655      4.804107
  C      -8.835879      2.253136      3.685834
  N     -10.019070      2.570950      3.188140
  C     -10.744782      3.476522      3.916008
  C     -12.016913      3.873165      3.440380
  C     -12.785830      4.769183      4.161788
  C     -12.309492      5.298841      5.379425
  C     -11.062410      4.939300      5.860024
  C     -10.247186      4.028042      5.141897
  H      -3.670722      0.846267      2.662455
  H      -4.861906      1.069062      3.947634
  H      -3.673127     -0.839040      5.228223
  H      -2.883380     -1.228262      3.686953
  H      -4.942071     -2.556900      3.864906
  H      -5.894063     -1.120664      4.296962
  H      -7.464529      0.697648      0.567324
  H      -4.803461     -1.759650     -2.266139
  H      -3.007235     -3.473599     -1.946855
  H      -2.334200     -4.160598      0.351004
  H      -3.421878     -3.152346      2.327749
  H      -4.293670      6.059017      6.093330
  H      -2.728156      6.629174      6.661744
  H      -2.359793      7.568469      4.264469
  H      -3.547325      8.373148      5.309458
  H      -4.290817      7.994433      2.878315
  H      -4.293669      6.271599      3.203817
  H      -7.405755      8.202217      6.954084
  H     -10.367089      6.817847      3.711825
  H     -10.147235      6.094918      1.331058
  H      -7.899847      6.016001      0.251235
  H      -5.874644      6.617146      1.537957
  H      -6.223647      2.617392      7.970823
  H      -6.395997      2.251310      6.241622
  H      -6.410620      5.050854      7.458460
  H      -6.447483      4.690633      5.726988
  H      -8.574047      3.590337      7.646135
  H      -8.685948      5.199819      6.946065
  H      -8.252175      1.502804      3.136603
  H     -12.364379      3.444731      2.498927
  H     -13.767212      5.068819      3.789266
  H     -12.923486      6.005808      5.939808
  H     -10.702172      5.373703      6.791900
  N      -4.915757      3.732249      3.944141
  N      -5.792483      3.715989      2.959654
  H      -6.339138      2.850407      2.892004
  H      -6.368346      4.563085      2.869894
99
Coordinates from ORCA-job orca E -6259.085263809408
  N      -2.942805      1.625800      4.485951
  Mo     -3.616383      3.362479      5.124079
  N      -4.558237      3.086163      6.823370
  C      -3.734504      2.991076      8.027257
  C      -2.443111      2.251073      7.705754
  N      -1.776482      2.841457      6.512915
  C      -0.895977      1.850728      5.826723
  C      -1.529310      1.302806      4.528323
  C      -1.057431      4.104735      6.810294
  C      -1.195646      4.974544      5.567011
  N      -2.618150      5.063456      5.261845
  H      -1.002071      1.722146      3.648758
  H      -1.382467      0.210275      4.486590
  H       0.061706      2.334594      5.594233
  H      -0.680159      1.029850      6.526550
  H      -0.764762      5.977062      5.728733
  H      -0.640232      4.523153      4.726454
  H      -1.555969      4.601202      7.654916
  H      -0.009792      3.903924      7.096127
  H      -4.261532      2.431343      8.820012
  H      -3.516049      3.995495      8.442299
  H      -2.694250      1.214297      7.444625
  H      -1.757587      2.238947      8.573566
  C      -3.832730      0.744407      3.739150
  C      -3.759364     -0.738664      4.116989
  C      -5.043193     -1.474108      3.668508
  C      -5.407447     -1.210880      2.233286
  N      -6.379747     -0.314487      2.009131
  C      -6.681152     -0.038988      0.718764
  N      -6.125085     -0.538358     -0.373936
  C      -5.133321     -1.461757     -0.171747
  C      -4.493237     -2.046630     -1.288893
  C      -3.490045     -2.985962     -1.109381
  C      -3.097729     -3.374041      0.188198
  C      -3.706817     -2.817147      1.300705
  C      -4.732191     -1.848592      1.149352
  C      -3.273774      6.287753      5.740103
  C      -3.333894      7.433081      4.722459
  C      -4.412740      7.236720      3.658427
  C      -5.828084      7.348608      4.175563
  N      -6.020077      7.770437      5.429349
  C      -7.292616      7.831112      5.881464
  N      -8.403709      7.499871      5.239629
  C      -8.242737      7.093291      3.941504
  C      -9.380828      6.741512      3.177574
  C      -9.242324      6.343270      1.856768
  C      -7.971162      6.292450      1.254092
  C      -6.835920      6.628003      1.981224
  C      -6.943207      7.021063      3.340091
  C      -6.010587      3.000676      6.989217
  C      -6.740708      4.323955      6.742782
  C      -8.270982      4.219887      6.799980
  C      -8.928834      3.641406      5.570295
  N      -8.250147      2.745978      4.849923
  C      -8.838176      2.245648      3.735965
  N     -10.019381      2.562594      3.233630
  C     -10.743331      3.477539      3.951268
  C     -12.015921      3.868723      3.472383
  C     -12.785288      4.770715      4.185340
  C     -12.308522      5.312466      5.397291
  C     -11.060840      4.959337      5.880277
  C     -10.245117      4.042121      5.170979
  H      -3.667957      0.858284      2.649656
  H      -4.863067      1.070298      3.933065
  H      -3.664659     -0.831595      5.211482
  H      -2.874657     -1.215757      3.668613
  H      -4.923384     -2.554172      3.845035
  H      -5.883962     -1.125601      4.285266
  H      -7.486764      0.687613      0.568696
  H      -4.816663     -1.736735     -2.283741
  H      -3.001895     -3.433025     -1.977217
  H      -2.311056     -4.119748      0.315830
  H      -3.400007     -3.127969      2.300236
  H      -4.295392      6.051736      6.069450
  H      -2.738090      6.632005      6.644849
  H      -2.351536      7.543474      4.236525
  H      -3.536954      8.364026      5.272699
  H      -4.280291      7.972781      2.845229
  H      -4.283993      6.251451      3.177671
  H      -7.411675      8.189957      6.910069
  H     -10.357723      6.789679      3.659597
  H     -10.126193      6.061883      1.282000
  H      -7.874335      5.985138      0.211551
  H      -5.854884      6.593821      1.504990
  H      -6.235119      2.639919      8.009609
  H      -6.414184      2.259886      6.284155
  H      -6.405703      5.068529      7.482664
  H      -6.442612      4.699341      5.752892
  H      -8.571933      3.619310      7.679718
  H      -8.681276      5.224446      6.968420
  H      -8.257244      1.484249      3.197972
  H     -12.363948      3.430343      2.535879
  H     -13.767173      5.065227      3.810483
  H     -12.922729      6.023730      5.951713
  H     -10.701180      5.402661      6.807998
  N      -4.931638      3.735866      3.975022
  N      -5.812794      3.728917      2.997962
  H      -6.375667      2.874590      2.931674
  H      -6.361962      4.590530      2.885220
99
Coordinates from ORCA-job orca E -6259.085751754927
  N      -2.933925      1.634739      4.476238
  Mo     -3.623508      3.350789      5.143437
  N      -4.555774      3.058576      6.845219
  C      -3.734691      2.953860      8.049704
  C      -2.433084      2.233949      7.717958
  N      -1.784273      2.840527      6.523508
  C      -0.889711      1.868946      5.825669
  C      -1.518124      1.319908      4.524691
  C      -1.079482      4.111813      6.824898
  C      -1.203650      4.975101      5.574853
  N      -2.623999      5.052870      5.246723
  H      -0.990469      1.741357      3.646710
  H      -1.363849      0.228611      4.484578
  H       0.059495      2.370017      5.595336
  H      -0.657434      1.046783      6.518583
  H      -0.783503      5.980829      5.742723
  H      -0.634043      4.526693      4.742813
  H      -1.598019      4.610054      7.656402
  H      -0.036207      3.921087      7.133264
  H      -4.255150      2.373894      8.832149
  H      -3.529631      3.952814      8.483763
  H      -2.670380      1.194569      7.454052
  H      -1.741560      2.227802      8.580611
  C      -3.812493      0.742021      3.730830
  C      -3.730925     -0.739450      4.114128
  C      -5.014039     -1.481764      3.676138
  C      -5.394365     -1.216204      2.245535
  N      -6.374380     -0.324986      2.034981
  C      -6.688815     -0.045107      0.748359
  N      -6.139520     -0.535515     -0.351768
  C      -5.140135     -1.454090     -0.163149
  C      -4.506512     -2.029197     -1.288735
  C      -3.495852     -2.963377     -1.122429
  C      -3.089834     -3.355670      0.169573
  C      -3.692341     -2.807989      1.290258
  C      -4.725014     -1.844626      1.152593
  C      -3.296732      6.271098      5.721678
  C      -3.354417      7.418556      4.706463
  C      -4.431466      7.229416      3.639044
  C      -5.847165      7.338463      4.154160
  N      -6.041651      7.757215      5.408778
  C      -7.315453      7.810459      5.858983
  N      -8.424460      7.473324      5.215188
  C      -8.260652      7.070862      3.916213
  C      -9.396052      6.711322      3.151652
  C      -9.254265      6.316812      1.829689
  C      -7.982667      6.277066      1.227220
  C      -6.849626      6.619696      1.955152
  C      -6.959681      7.008835      3.315472
  C      -6.008981      2.977532      7.015018
  C      -6.735286      4.303415      6.768556
  C      -8.266756      4.207273      6.817266
  C      -8.927003      3.644515      5.582055
  N      -8.259039      2.742967      4.858846
  C      -8.851009      2.258515      3.740125
  N     -10.024138      2.597385      3.233945
  C     -10.735954      3.520075      3.953452
  C     -11.998758      3.935995      3.469990
  C     -12.755953      4.847614      4.183462
  C     -12.275280      5.375052      5.400120
  C     -11.036851      4.997804      5.887397
  C     -10.234058      4.069486      5.178489
  H      -3.647993      0.851423      2.640810
  H      -4.847740      1.062611      3.922728
  H      -3.630969     -0.827721      5.208637
  H      -2.847620     -1.215897      3.662391
  H      -4.885099     -2.561594      3.847942
  H      -5.851185     -1.139985      4.301533
  H      -7.499888      0.677636      0.608721
  H      -4.840566     -1.716312     -2.279129
  H      -3.012580     -3.403080     -1.996708
  H      -2.297673     -4.097437      0.286235
  H      -3.375316     -3.122225      2.285533
  H      -4.319258      6.025585      6.041471
  H      -2.774852      6.620991      6.632337
  H      -2.371062      7.528619      4.222080
  H      -3.556227      8.348580      5.259144
  H      -4.297007      7.972819      2.832711
  H      -4.299830      6.247836      3.151672
  H      -7.437613      8.166318      6.888341
  H     -10.373748      6.750574      3.633122
  H     -10.135663      6.029929      1.253802
  H      -7.885238      5.972827      0.183842
  H      -5.868327      6.591089      1.479202
  H      -6.232680      2.621943      8.037717
  H      -6.416438      2.234610      6.314784
  H      -6.403013      5.043816      7.514150
  H      -6.429902      4.683380      5.782668
  H      -8.574754      3.601605      7.691342
  H      -8.669909      5.213309      6.993846
  H      -8.280089      1.492008      3.199139
  H     -12.349508      3.508693      2.529434
  H     -13.730432      5.161346      3.805098
  H     -12.879226      6.094727      5.954912
  H     -10.673923      5.431448      6.818491
  N      -4.937599      3.713668      3.986499
  N      -5.819562      3.699147      3.015439
  H      -6.395378      2.853264      2.955104
  H      -6.346049      4.568771      2.863372
99
Coordinates from ORCA-job orca E -6259.086158997065
  N      -2.936449      1.645626      4.467345
  Mo     -3.629882      3.348499      5.160258
  N      -4.562511      3.054327      6.864039
  C      -3.744644      2.930978      8.068436
  C      -2.440720      2.219181      7.730162
  N      -1.798904      2.836823      6.538522
  C      -0.897786      1.875545      5.835151
  C      -1.520682      1.329122      4.530492
  C      -1.101171      4.109722      6.848176
  C      -1.208109      4.971855      5.597299
  N      -2.622928      5.047932      5.246889
  H      -0.985274      1.749310      3.656867
  H      -1.367985      0.237509      4.492018
  H       0.049348      2.383273      5.611010
  H      -0.661869      1.050180      6.523059
  H      -0.791444      5.977597      5.773449
  H      -0.627459      4.525166      4.772170
  H      -1.634693      4.608542      7.669939
  H      -0.062954      3.921737      7.175345
  H      -4.266432      2.337802      8.840067
  H      -3.541652      3.922694      8.520166
  H      -2.673974      1.180320      7.460030
  H      -1.746638      2.210308      8.590605
  C      -3.804269      0.746013      3.717367
  C      -3.718094     -0.734834      4.101719
  C      -5.001148     -1.479779      3.667274
  C      -5.390768     -1.210194      2.239675
  N      -6.378692     -0.325436      2.039233
  C      -6.701531     -0.040756      0.755516
  N      -6.154845     -0.521694     -0.349719
  C      -5.148101     -1.434530     -0.171251
  C      -4.516876     -1.999532     -1.303247
  C      -3.498583     -2.927059     -1.146933
  C      -3.082567     -3.322738      0.140917
  C      -3.682770     -2.785056      1.267507
  C      -4.723048     -1.828487      1.140052
  C      -3.304469      6.265400      5.712800
  C      -3.345874      7.410202      4.694022
  C      -4.410496      7.219503      3.614596
  C      -5.831307      7.324709      4.115736
  N      -6.038579      7.741012      5.368912
  C      -7.316692      7.786677      5.808135
  N      -8.417786      7.443769      5.154637
  C      -8.240795      7.043172      3.856882
  C      -9.367549      6.675983      3.083305
  C      -9.211979      6.281592      1.762940
  C      -7.935111      6.249632      1.171210
  C      -6.810519      6.600417      1.908059
  C      -6.934594      6.989767      3.266916
  C      -6.016347      2.985829      7.035646
  C      -6.734289      4.314982      6.783689
  C      -8.265925      4.227102      6.839019
  C      -8.934130      3.660068      5.610052
  N      -8.270777      2.753396      4.888480
  C      -8.871736      2.258899      3.778936
  N     -10.049537      2.591979      3.279707
  C     -10.756677      3.519832      3.997929
  C     -12.025207      3.928103      3.523082
  C     -12.779012      4.842454      4.236828
  C     -12.288554      5.380464      5.445030
  C     -11.044313      5.010993      5.923434
  C     -10.244983      4.080142      5.214010
  H      -3.634745      0.853680      2.628082
  H      -4.840058      1.062489      3.902672
  H      -3.616211     -0.823162      5.196021
  H      -2.834826     -1.210013      3.648564
  H      -4.867485     -2.559701      3.834678
  H      -5.836441     -1.142529      4.297649
  H      -7.517804      0.677606      0.623884
  H      -4.858715     -1.684129     -2.290191
  H      -3.016828     -3.358978     -2.025900
  H      -2.284325     -4.059259      0.249254
  H      -3.358223     -3.101894      2.259551
  H      -4.331282      6.019495      6.018022
  H      -2.797747      6.618841      6.630638
  H      -2.356605      7.512155      4.219818
  H      -3.548244      8.344362      5.239108
  H      -4.268572      7.964622      2.810978
  H      -4.270532      6.238737      3.127865
  H      -7.449131      8.140022      6.837104
  H     -10.349698      6.709147      3.556062
  H     -10.086284      5.988021      1.179608
  H      -7.828114      5.945340      0.128765
  H      -5.825062      6.576993      1.440510
  H      -6.241316      2.640652      8.061718
  H      -6.430822      2.239778      6.342903
  H      -6.396407      5.056035      7.526226
  H      -6.429297      4.691394      5.796415
  H      -8.572746      3.626516      7.717014
  H      -8.663744      5.235505      7.014449
  H      -8.303576      1.489766      3.238379
  H     -12.383397      3.492503      2.589124
  H     -13.757983      5.150228      3.865286
  H     -12.889719      6.102122      6.000221
  H     -10.674538      5.452537      6.848058
  N      -4.949252      3.713763      4.008991
  N      -5.836568      3.710398      3.043974
  H      -6.439615      2.882876      3.000694
  H      -6.333211      4.592749      2.867234
99
Coordinates from ORCA-job orca E -6259.086490796999
  N      -2.936640      1.653755      4.457499
  Mo     -3.637771      3.343912      5.172834
  N      -4.566021      3.043443      6.879554
  C      -3.748196      2.899953      8.081865
  C      -2.439500      2.202715      7.730900
  N      -1.808722      2.836676      6.542236
  C      -0.898284      1.890283      5.830184
  C      -1.519781      1.339551      4.526866
  C      -1.122420      4.113366      6.861251
  C      -1.219981      4.976243      5.610493
  N      -2.630672      5.045537      5.242876
  H      -0.984119      1.756871      3.652241
  H      -1.366249      0.247975      4.492174
  H       0.041334      2.411241      5.605078
  H      -0.648872      1.065392      6.513953
  H      -0.809929      5.983421      5.793193
  H      -0.629087      4.533462      4.790658
  H      -1.670182      4.608254      7.676080
  H      -0.087724      3.930953      7.202752
  H      -4.267343      2.287465      8.840050
  H      -3.551707      3.882645      8.555968
  H      -2.665333      1.164624      7.451296
  H      -1.740655      2.191201      8.587187
  C      -3.796019      0.748570      3.704549
  C      -3.711795     -0.730717      4.095594
  C      -4.996271     -1.475037      3.663610
  C      -5.390075     -1.203054      2.237348
  N      -6.376684     -0.316073      2.041700
  C      -6.700154     -0.025031      0.759372
  N      -6.156134     -0.503142     -0.348164
  C      -5.151932     -1.419817     -0.174432
  C      -4.524415     -1.982864     -1.309502
  C      -3.508429     -2.913513     -1.158022
  C      -3.091105     -3.314374      0.127872
  C      -3.687684     -2.778702      1.257222
  C      -4.725565     -1.819110      1.134595
  C      -3.321581      6.259614      5.704888
  C      -3.345849      7.408591      4.689999
  C      -4.400244      7.224367      3.599375
  C      -5.824074      7.326666      4.092638
  N      -6.035919      7.740578      5.345737
  C      -7.314721      7.779391      5.782993
  N      -8.412316      7.430129      5.128069
  C      -8.231198      7.031557      3.830433
  C      -9.354496      6.654420      3.056846
  C      -9.194695      6.258570      1.737613
  C      -7.917449      6.238199      1.145883
  C      -6.796349      6.600666      1.882340
  C      -6.924351      6.988198      3.241169
  C      -6.020226      2.985263      7.055768
  C      -6.729934      4.317396      6.797485
  C      -8.261787      4.238607      6.855923
  C      -8.932572      3.662728      5.632038
  N      -8.272035      2.743942      4.922430
  C      -8.875955      2.235526      3.820851
  N     -10.053890      2.563648      3.318450
  C     -10.756422      3.506269      4.022808
  C     -12.022439      3.914166      3.541307
  C     -12.771108      4.844380      4.240154
  C     -12.277708      5.398405      5.439986
  C     -11.035879      5.028816      5.924882
  C     -10.241461      4.082602      5.230155
  H      -3.618635      0.850915      2.616131
  H      -4.831741      1.065710      3.879809
  H      -3.610470     -0.815789      5.190112
  H      -2.829169     -1.208830      3.644323
  H      -4.862694     -2.555220      3.829292
  H      -5.829778     -1.137715      4.296245
  H      -7.513644      0.697371      0.631712
  H      -4.867349     -1.663286     -2.294705
  H      -3.029287     -3.344040     -2.039108
  H      -2.294673     -4.053436      0.232022
  H      -3.362461     -3.099838      2.247673
  H      -4.353370      6.012438      5.990606
  H      -2.831732      6.609285      6.633341
  H      -2.351199      7.504389      4.225927
  H      -3.547214      8.343472      5.233535
  H      -4.251065      7.974941      2.802078
  H      -4.256063      6.246542      3.107943
  H      -7.449876      8.129859      6.812429
  H     -10.337194      6.680378      3.528788
  H     -10.065724      5.955666      1.154148
  H      -7.808300      5.933552      0.103757
  H      -5.810639      6.584823      1.415101
  H      -6.244233      2.650295      8.085211
  H      -6.441678      2.235712      6.370780
  H      -6.386299      5.059823      7.536093
  H      -6.425090      4.689472      5.808708
  H      -8.571973      3.647191      7.738953
  H      -8.654176      5.250333      7.024195
  H      -8.312485      1.454617      3.292553
  H     -12.382826      3.466142      2.613991
  H     -13.748143      5.152337      3.863498
  H     -12.874728      6.132532      5.983292
  H     -10.663858      5.482915      6.842496
  N      -4.962599      3.705454      4.024228
  N      -5.858819      3.706955      3.068236
  H      -6.491648      2.900554      3.051895
  H      -6.322864      4.600422      2.862584
99
Coordinates from ORCA-job orca E -6259.086821026895
  N      -2.931624      1.663704      4.445160
  Mo     -3.639519      3.343990      5.177690
  N      -4.566090      3.036076      6.885629
  C      -3.747915      2.870435      8.085269
  C      -2.434741      2.188869      7.721896
  N      -1.811504      2.840936      6.539210
  C      -0.892365      1.908858      5.819556
  C      -1.513929      1.350669      4.519725
  C      -1.137605      4.120688      6.871577
  C      -1.231394      4.989838      5.626038
  N      -2.638739      5.052157      5.245433
  H      -0.978913      1.763588      3.642637
  H      -1.361151      0.258804      4.489730
  H       0.038444      2.443759      5.590974
  H      -0.627787      1.086203      6.500519
  H      -0.828352      5.998371      5.816615
  H      -0.631310      4.553824      4.809170
  H      -1.697468      4.605995      7.683982
  H      -0.104923      3.943304      7.221985
  H      -4.264726      2.236759      8.827545
  H      -3.559317      3.842821      8.583624
  H      -2.653062      1.152715      7.429238
  H      -1.732932      2.171954      8.575559
  C      -3.784595      0.755085      3.688678
  C      -3.703232     -0.721937      4.090004
  C      -4.989599     -1.466714      3.663462
  C      -5.386995     -1.197208      2.237550
  N      -6.375170     -0.312541      2.043572
  C      -6.701549     -0.020889      0.762126
  N      -6.159395     -0.498760     -0.346289
  C      -5.155148     -1.415695     -0.174364
  C      -4.531045     -1.980252     -1.310792
  C      -3.515165     -2.910940     -1.161331
  C      -3.094228     -3.310430      0.123983
  C      -3.687309     -2.773440      1.254387
  C      -4.725143     -1.813985      1.133623
  C      -3.339232      6.260974      5.705732
  C      -3.348622      7.415171      4.695733
  C      -4.391995      7.234351      3.593736
  C      -5.820378      7.328913      4.075782
  N      -6.042952      7.743620      5.326637
  C      -7.323643      7.770035      5.758342
  N      -8.413646      7.405742      5.100224
  C      -8.222113      7.004748      3.804945
  C      -9.336873      6.607129      3.029379
  C      -9.166092      6.205588      1.713425
  C      -7.886491      6.202000      1.125789
  C      -6.773941      6.585903      1.863953
  C      -6.913051      6.976920      3.220486
  C      -6.020408      2.974139      7.066793
  C      -6.732699      4.304987      6.810169
  C      -8.265118      4.227821      6.870156
  C      -8.941893      3.658947      5.645277
  N      -8.289305      2.736275      4.932326
  C      -8.901422      2.232812      3.832722
  N     -10.078241      2.570057      3.333209
  C     -10.769947      3.520593      4.038302
  C     -12.031158      3.943206      3.557161
  C     -12.768336      4.883242      4.255781
  C     -12.267994      5.431548      5.455393
  C     -11.030448      5.046703      5.940329
  C     -10.247339      4.090787      5.245364
  H      -3.595875      0.850372      2.601488
  H      -4.822729      1.077269      3.849985
  H      -3.601521     -0.800850      5.184834
  H      -2.821250     -1.204335      3.641998
  H      -4.856996     -2.546678      3.831180
  H      -5.821021     -1.127144      4.297533
  H      -7.515761      0.701473      0.636970
  H      -4.876851     -1.661602     -2.295276
  H      -3.038563     -3.342837     -2.043159
  H      -2.297716     -4.049628      0.226270
  H      -3.359394     -3.093593      2.244279
  H      -4.375438      6.010775      5.970104
  H      -2.867081      6.604946      6.645482
  H      -2.348946      7.507453      4.242008
  H      -3.551705      8.349852      5.238049
  H      -4.237284      7.989621      2.801929
  H      -4.240899      6.259267      3.098728
  H      -7.466348      8.120494      6.786586
  H     -10.321449      6.621857      3.497654
  H     -10.029956      5.885754      1.128361
  H      -7.769336      5.893724      0.085595
  H      -5.786435      6.583513      1.399811
  H      -6.239781      2.640656      8.097406
  H      -6.442647      2.222183      6.384988
  H      -6.387666      5.045738      7.549821
  H      -6.430447      4.681236      5.822439
  H      -8.576723      3.633802      7.750882
  H      -8.654753      5.239645      7.043911
  H      -8.345395      1.449394      3.300770
  H     -12.396987      3.499201      2.629947
  H     -13.741605      5.203410      3.879309
  H     -12.855912      6.173535      5.998156
  H     -10.652455      5.496978      6.857402
  N      -4.970255      3.702156      4.032454
  N      -5.876751      3.709641      3.086753
  H      -6.538827      2.926378      3.102384
  H      -6.310882      4.612222      2.859477
99
Coordinates from ORCA-job orca E -6259.087210970305
  N      -2.930153      1.669918      4.434642
  Mo     -3.641315      3.346972      5.176556
  N      -4.566212      3.034197      6.884479
  C      -3.744378      2.847048      8.079672
  C      -2.428180      2.179245      7.702765
  N      -1.810461      2.847229      6.525523
  C      -0.884896      1.926657      5.799119
  C      -1.512575      1.353433      4.509128
  C      -1.144483      4.128145      6.869450
  C      -1.239110      5.003393      5.627628
  N      -2.645198      5.061073      5.242285
  H      -0.981635      1.754634      3.624282
  H      -1.364912      0.260706      4.488891
  H       0.033555      2.476748      5.558243
  H      -0.599024      1.111620      6.480886
  H      -0.840121      6.012835      5.821122
  H      -0.633971      4.571106      4.812348
  H      -1.711014      4.603504      7.683005
  H      -0.112332      3.952803      7.222196
  H      -4.257892      2.192851      8.806156
  H      -3.563427      3.808809      8.601030
  H      -2.641282      1.145743      7.397146
  H      -1.722892      2.155928      8.553154
  C      -3.781117      0.763715      3.672638
  C      -3.720699     -0.709866      4.091808
  C      -5.011625     -1.445404      3.662836
  C      -5.395338     -1.182004      2.231962
  N      -6.368501     -0.285139      2.024285
  C      -6.678855      0.006845      0.738846
  N      -6.134092     -0.484585     -0.362175
  C      -5.147228     -1.417323     -0.176419
  C      -4.523441     -1.998891     -1.304619
  C      -3.524599     -2.945244     -1.141900
  C      -3.120030     -3.343778      0.149261
  C      -3.712774     -2.790361      1.271649
  C      -4.733879     -1.815229      1.137035
  C      -3.346955      6.266233      5.707651
  C      -3.338257      7.430943      4.709006
  C      -4.376537      7.265352      3.599470
  C      -5.806055      7.358373      4.078606
  N      -6.028599      7.769665      5.330457
  C      -7.308040      7.789840      5.765499
  N      -8.397566      7.421727      5.109312
  C      -8.206565      7.023292      3.813401
  C      -9.320403      6.616457      3.041077
  C      -9.149740      6.212347      1.726264
  C      -7.871631      6.218487      1.134372
  C      -6.760287      6.613449      1.868507
  C      -6.899168      7.003537      3.225373
  C      -6.020520      2.970404      7.071288
  C      -6.734883      4.298461      6.805655
  C      -8.267418      4.220456      6.865841
  C      -8.944638      3.641347      5.644763
  N      -8.291717      2.712204      4.939257
  C      -8.907706      2.194972      3.848230
  N     -10.087431      2.523389      3.348950
  C     -10.776986      3.483387      4.043804
  C     -12.038614      3.901032      3.560183
  C     -12.772872      4.851650      4.247913
  C     -12.269323      5.414515      5.439134
  C     -11.031453      5.033519      5.926831
  C     -10.250676      4.067891      5.242433
  H      -3.572220      0.845989      2.588032
  H      -4.815578      1.100211      3.810787
  H      -3.628313     -0.778002      5.188058
  H      -2.840009     -1.206514      3.656904
  H      -4.892515     -2.525559      3.839498
  H      -5.843559     -1.092140      4.288743
  H      -7.479337      0.742777      0.603949
  H      -4.856453     -1.680261     -2.293566
  H      -3.048258     -3.390535     -2.017130
  H      -2.336575     -4.095408      0.261758
  H      -3.397630     -3.109886      2.265925
  H      -4.388689      6.017934      5.950076
  H      -2.888936      6.595081      6.659738
  H      -2.334863      7.517150      4.262204
  H      -3.536686      8.363320      5.256484
  H      -4.215460      8.028095      2.816191
  H      -4.228325      6.294360      3.095212
  H      -7.449069      8.136124      6.795196
  H     -10.303589      6.626129      3.512275
  H     -10.012317      5.883755      1.144072
  H      -7.754757      5.908996      0.094507
  H      -5.774244      6.618498      1.401265
  H      -6.235167      2.644132      8.104910
  H      -6.443129      2.212143      6.396581
  H      -6.388846      5.043962      7.540117
  H      -6.435994      4.671090      5.815494
  H      -8.580892      3.633150      7.750334
  H      -8.657500      5.233390      7.032108
  H      -8.351844      1.408438      3.321465
  H     -12.406868      3.445394      2.639601
  H     -13.746390      5.168984      3.869551
  H     -12.855022      6.164658      5.972869
  H     -10.651076      5.494802      6.837393
  N      -4.975678      3.699255      4.030944
  N      -5.893964      3.705582      3.096247
  H      -6.581286      2.944860      3.150589
  H      -6.303304      4.614493      2.850454
99
Coordinates from ORCA-job orca E -6259.087675802304
  N      -2.930637      1.676004      4.425154
  Mo     -3.640189      3.352866      5.176744
  N      -4.559620      3.032944      6.883974
  C      -3.730632      2.828302      8.072571
  C      -2.414762      2.170639      7.680058
  N      -1.801116      2.854382      6.507837
  C      -0.873780      1.942907      5.772895
  C      -1.513814      1.353036      4.496343
  C      -1.139727      4.135623      6.862908
  C      -1.246332      5.021830      5.628684
  N      -2.655159      5.075285      5.250860
  H      -0.987801      1.741662      3.602638
  H      -1.373184      0.259227      4.485932
  H       0.030357      2.507589      5.513679
  H      -0.562631      1.137249      6.455159
  H      -0.850612      6.032173      5.824232
  H      -0.640799      4.596328      4.809663
  H      -1.705352      4.596421      7.685233
  H      -0.104438      3.961348      7.206728
  H      -4.238701      2.158578      8.788789
  H      -3.553920      3.782092      8.609546
  H      -2.625779      1.140738      7.361249
  H      -1.705646      2.138330      8.527226
  C      -3.782241      0.775230      3.656442
  C      -3.739333     -0.694892      4.091865
  C      -5.033022     -1.424836      3.662034
  C      -5.403787     -1.170594      2.226519
  N      -6.364065     -0.264571      2.004577
  C      -6.661095      0.024005      0.715274
  N      -6.113470     -0.481020     -0.378168
  C      -5.140889     -1.425346     -0.178238
  C      -4.516552     -2.023199     -1.297827
  C      -3.531615     -2.981256     -1.121495
  C      -3.140807     -3.375599      0.175539
  C      -3.733923     -2.806440      1.289589
  C      -4.741709     -1.819616      1.140868
  C      -3.357542      6.276084      5.723348
  C      -3.345827      7.449523      4.733874
  C      -4.381492      7.291013      3.619679
  C      -5.814427      7.370592      4.092112
  N      -6.048051      7.773356      5.344448
  C      -7.330028      7.779650      5.772907
  N      -8.413081      7.406403      5.108330
  C      -8.210862      7.016422      3.811859
  C      -9.316196      6.600804      3.031132
  C      -9.133614      6.201885      1.716661
  C      -7.851944      6.224040      1.131770
  C      -6.749135      6.628321      1.873630
  C      -6.900055      7.011285      3.231536
  C      -6.013402      2.961625      7.075465
  C      -6.731717      4.286645      6.806963
  C      -8.263829      4.205707      6.867033
  C      -8.941131      3.626670      5.646212
  N      -8.292846      2.691111      4.943508
  C      -8.913158      2.172706      3.855420
  N     -10.091849      2.505125      3.355932
  C     -10.774133      3.474256      4.044865
  C     -12.031022      3.900350      3.557154
  C     -12.757254      4.862314      4.237932
  C     -12.250614      5.426883      5.426443
  C     -11.017292      5.036715      5.918668
  C     -10.243722      4.060493      5.240810
  H      -3.553744      0.846090      2.574400
  H      -4.813795      1.125623      3.772993
  H      -3.654693     -0.751479      5.189501
  H      -2.859512     -1.203751      3.669413
  H      -4.925012     -2.504434      3.849209
  H      -5.865913     -1.059095      4.279407
  H      -7.450124      0.770156      0.570649
  H      -4.838514     -1.707143     -2.291312
  H      -3.055126     -3.439361     -1.989954
  H      -2.367895     -4.136458      0.298736
  H      -3.429274     -3.122347      2.288287
  H      -4.401328      6.024884      5.953825
  H      -2.906823      6.593175      6.682909
  H      -2.341410      7.538656      4.289781
  H      -3.546227      8.378262      5.287189
  H      -4.221259      8.061146      2.843693
  H      -4.229604      6.325176      3.106227
  H      -7.479274      8.117433      6.804040
  H     -10.301863      6.599963      3.497398
  H      -9.989246      5.865711      1.128552
  H      -7.724657      5.918195      0.092130
  H      -5.760344      6.643098      1.412811
  H      -6.223375      2.635894      8.110008
  H      -6.434120      2.200374      6.402283
  H      -6.385389      5.034695      7.538861
  H      -6.436287      4.658529      5.815291
  H      -8.578142      3.618028      7.751091
  H      -8.654653      5.218467      7.032148
  H      -8.363007      1.380506      3.331664
  H     -12.402012      3.442479      2.638985
  H     -13.727021      5.186867      3.856381
  H     -12.830210      6.185464      5.954615
  H     -10.634514      5.499320      6.827385
  N      -4.982839      3.700551      4.039137
  N      -5.911735      3.697223      3.114329
  H      -6.623939      2.963575      3.220051
  H      -6.298578      4.611842      2.852137
99
Coordinates from ORCA-job orca E -6259.088218617042
  N      -2.937682      1.684163      4.415134
  Mo     -3.638512      3.364392      5.176797
  N      -4.552793      3.040609      6.884954
  C      -3.718830      2.818543      8.067016
  C      -2.406508      2.163243      7.661544
  N      -1.793529      2.857016      6.493988
  C      -0.870345      1.950445      5.750714
  C      -1.525137      1.344807      4.488878
  C      -1.130771      4.135741      6.857605
  C      -1.244330      5.032675      5.631012
  N      -2.655202      5.089457      5.258971
  H      -0.997769      1.714354      3.587365
  H      -1.397737      0.249261      4.493733
  H       0.021059      2.525247      5.470951
  H      -0.535515      1.153834      6.432971
  H      -0.847751      6.041967      5.830985
  H      -0.639660      4.613058      4.808058
  H      -1.693321      4.586355      7.687540
  H      -0.093155      3.958843      7.193385
  H      -4.223909      2.138856      8.776331
  H      -3.540981      3.765595      8.614943
  H      -2.619719      1.136803      7.333335
  H      -1.695231      2.121153      8.507000
  C      -3.790109      0.793161      3.636416
  C      -3.774402     -0.673123      4.088406
  C      -5.071118     -1.393699      3.652586
  C      -5.420175     -1.152100      2.210068
  N      -6.368005     -0.240088      1.965775
  C      -6.645926      0.038621      0.669885
  N      -6.089169     -0.483058     -0.410860
  C      -5.128978     -1.434499     -0.188417
  C      -4.496081     -2.050179     -1.293738
  C      -3.522934     -3.015220     -1.094835
  C      -3.151917     -3.399567      0.211367
  C      -3.753696     -2.813385      1.311456
  C      -4.750373     -1.819050      1.139556
  C      -3.354852      6.289448      5.735651
  C      -3.342551      7.466263      4.749728
  C      -4.379029      7.311594      3.635589
  C      -5.812760      7.387359      4.104894
  N      -6.052686      7.791341      5.354902
  C      -7.336553      7.789772      5.779499
  N      -8.414986      7.406141      5.112665
  C      -8.205663      7.013423      3.818462
  C      -9.305425      6.584276      3.036067
  C      -9.115892      6.184003      1.723478
  C      -7.832661      6.217375      1.141631
  C      -6.735587      6.633335      1.884871
  C      -6.893335      7.018433      3.241826
  C      -6.006113      2.963648      7.079182
  C      -6.730261      4.283591      6.803092
  C      -8.261974      4.195066      6.860435
  C      -8.938243      3.614236      5.640944
  N      -8.292468      2.677163      4.936766
  C      -8.917597      2.156231      3.852102
  N     -10.098116      2.488345      3.357230
  C     -10.777250      3.459422      4.045661
  C     -12.035693      3.884460      3.561168
  C     -12.760004      4.847536      4.242525
  C     -12.249791      5.413617      5.428401
  C     -11.014847      5.024544      5.917395
  C     -10.242380      4.048007      5.238570
  H      -3.537905      0.850445      2.558270
  H      -4.819203      1.161483      3.728418
  H      -3.703676     -0.716061      5.187795
  H      -2.896158     -1.199199      3.684176
  H      -4.978217     -2.472107      3.853969
  H      -5.907187     -1.011245      4.255348
  H      -7.425258      0.791125      0.508423
  H      -4.802165     -1.741349     -2.294474
  H      -3.039878     -3.487046     -1.952257
  H      -2.387630     -4.165938      0.352398
  H      -3.464116     -3.120633      2.317285
  H      -4.399390      6.036895      5.962383
  H      -2.906951      6.600960      6.698372
  H      -2.339080      7.555783      4.303825
  H      -3.542602      8.393968      5.305651
  H      -4.219987      8.082837      2.860624
  H      -4.228462      6.346476      3.120077
  H      -7.491660      8.130095      6.808918
  H     -10.291841      6.575240      3.500925
  H      -9.966954      5.838117      1.134394
  H      -7.698636      5.909978      0.103342
  H      -5.745778      6.654828      1.426663
  H      -6.213540      2.642585      8.115635
  H      -6.424826      2.196973      6.410193
  H      -6.388517      5.036754      7.531832
  H      -6.435214      4.651498      5.809923
  H      -8.573857      3.605959      7.744495
  H      -8.657368      5.206227      7.023659
  H      -8.368823      1.364302      3.326712
  H     -12.409706      3.424317      2.645432
  H     -13.731036      5.171144      3.863549
  H     -12.828034      6.172497      5.957608
  H     -10.630134      5.488190      6.824638
  N      -4.979891      3.710491      4.040412
  N      -5.920677      3.696791      3.124427
  H      -6.655053      2.993139      3.282322
  H      -6.286129      4.616329      2.848051
99
Coordinates from ORCA-job orca E -6259.088840653952
  N      -2.951172      1.698595      4.408225
  Mo     -3.637530      3.381418      5.186483
  N      -4.543538      3.048198      6.893508
  C      -3.705544      2.811726      8.069206
  C      -2.397585      2.155263      7.651193
  N      -1.787670      2.857409      6.486619
  C      -0.871965      1.955816      5.731575
  C      -1.545605      1.336355      4.485784
  C      -1.118074      4.132008      6.855724
  C      -1.237251      5.039066      5.635376
  N      -2.651139      5.103073      5.272295
  H      -1.013236      1.682653      3.577397
  H      -1.433900      0.239258      4.510253
  H       0.005964      2.539237      5.427880
  H      -0.511155      1.168092      6.411348
  H      -0.837869      6.046048      5.841975
  H      -0.636848      4.626231      4.806122
  H      -1.672660      4.576516      7.694236
  H      -0.077860      3.950227      7.180963
  H      -4.207026      2.127635      8.777243
  H      -3.522343      3.754706      8.621704
  H      -2.614245      1.131480      7.317159
  H      -1.683683      2.104622      8.494446
  C      -3.801790      0.819621      3.615793
  C      -3.816458     -0.643572      4.079686
  C      -5.114830     -1.355561      3.635824
  C      -5.441792     -1.129487      2.186312
  N      -6.382959     -0.218024      1.917540
  C      -6.643344      0.043097      0.613997
  N      -6.074282     -0.494757     -0.452067
  C      -5.119310     -1.444887     -0.204497
  C      -4.473141     -2.076439     -1.293133
  C      -3.505466     -3.040888     -1.068204
  C      -3.153269     -3.409665      0.247815
  C      -3.768629     -2.808078      1.331665
  C      -4.760032     -1.812976      1.133319
  C      -3.346842      6.305476      5.749693
  C      -3.341794      7.478768      4.761000
  C      -4.378064      7.317729      3.648374
  C      -5.812575      7.387752      4.112859
  N      -6.062812      7.792272      5.359920
  C      -7.351012      7.782196      5.774624
  N      -8.421651      7.386377      5.101112
  C      -8.200387      6.992925      3.809330
  C      -9.292314      6.554705      3.019929
  C      -9.091898      6.159873      1.707665
  C      -7.804992      6.204202      1.134645
  C      -6.715499      6.625897      1.885071
  C      -6.883917      7.009153      3.241704
  C      -5.996608      2.967320      7.086989
  C      -6.726269      4.283018      6.806592
  C      -8.257607      4.185112      6.858447
  C      -8.932566      3.607799      5.638692
  N      -8.288798      2.675767      4.925017
  C      -8.918579      2.158494      3.840440
  N     -10.101345      2.492830      3.354272
  C     -10.779084      3.458020      4.050881
  C     -12.041199      3.881749      3.574591
  C     -12.766710      4.836760      4.265689
  C     -12.253199      5.396084      5.453134
  C     -11.014414      5.009481      5.933491
  C     -10.240325      4.041370      5.244897
  H      -3.526725      0.865296      2.542388
  H      -4.826991      1.203008      3.685344
  H      -3.762260     -0.672700      5.180710
  H      -2.940685     -1.187792      3.694823
  H      -5.034436     -2.432018      3.852224
  H      -5.955534     -0.957776      4.222009
  H      -7.418825      0.794216      0.432054
  H      -4.764465     -1.779819     -2.301873
  H      -3.012106     -3.524766     -1.912989
  H      -2.392978     -4.175789      0.409568
  H      -3.493658     -3.102368      2.345395
  H      -4.389338      6.050408      5.985623
  H      -2.894450      6.621693      6.708779
  H      -2.340407      7.574588      4.311962
  H      -3.547269      8.406183      5.316819
  H      -4.223538      8.086714      2.870325
  H      -4.223253      6.351221      3.136607
  H      -7.518171      8.127462      6.800821
  H     -10.281287      6.535597      3.479449
  H      -9.937104      5.809434      1.112941
  H      -7.661499      5.901111      0.096360
  H      -5.723482      6.656378      1.432258
  H      -6.204532      2.648795      8.124438
  H      -6.412888      2.197267      6.419761
  H      -6.393312      5.039309      7.536022
  H      -6.426210      4.648057      5.814138
  H      -8.563969      3.590505      7.740907
  H      -8.658405      5.193596      7.024275
  H      -8.369045      1.372158      3.307112
  H     -12.417682      3.425851      2.657776
  H     -13.740736      5.158247      3.892968
  H     -12.831998      6.148165      5.991428
  H     -10.628604      5.468838      6.842386
  N      -4.976389      3.728901      4.053753
  N      -5.926629      3.695016      3.144150
  H      -6.675888      3.019155      3.353073
  H      -6.280022      4.615424      2.853416
99
Coordinates from ORCA-job orca E -6259.089491230083
  N      -2.959237      1.710209      4.398719
  Mo     -3.633254      3.395830      5.189558
  N      -4.534427      3.058933      6.897998
  C      -3.695450      2.806944      8.069585
  C      -2.389624      2.149733      7.643203
  N      -1.782405      2.858470      6.481640
  C      -0.871760      1.961729      5.717696
  C      -1.559906      1.326864      4.486838
  C      -1.110511      4.130546      6.856360
  C      -1.231025      5.047212      5.644549
  N      -2.644822      5.116667      5.281637
  H      -1.020536      1.646071      3.572340
  H      -1.463636      0.228802      4.534965
  H      -0.005267      2.551939      5.394683
  H      -0.490028      1.182162      6.395798
  H      -0.830248      6.051564      5.862101
  H      -0.631622      4.642947      4.810627
  H      -1.662151      4.570513      7.699209
  H      -0.069436      3.945988      7.177813
  H      -4.196665      2.118997      8.774285
  H      -3.506461      3.744853      8.628852
  H      -2.608689      1.128073      7.303959
  H      -1.674284      2.091816      8.485005
  C      -3.805897      0.838230      3.594758
  C      -3.849630     -0.620856      4.071483
  C      -5.151714     -1.320338      3.619307
  C      -5.458420     -1.107257      2.163643
  N      -6.387065     -0.190197      1.873698
  C      -6.629900      0.057671      0.563752
  N      -6.054279     -0.498446     -0.488943
  C      -5.111219     -1.454317     -0.219395
  C      -4.458737     -2.104868     -1.293230
  C      -3.503528     -3.075441     -1.045481
  C      -3.170509     -3.432339      0.278920
  C      -3.792513     -2.812256      1.348142
  C      -4.771251     -1.809693      1.126466
  C      -3.339688      6.319763      5.759637
  C      -3.338251      7.490997      4.769236
  C      -4.374539      7.327349      3.657588
  C      -5.808846      7.397330      4.121043
  N      -6.061684      7.802825      5.366342
  C      -7.351255      7.789274      5.778922
  N      -8.418214      7.385545      5.105700
  C      -8.193792      6.990347      3.815066
  C      -9.283074      6.542917      3.027074
  C      -9.080086      6.148018      1.715635
  C      -7.793419      6.201439      1.142439
  C      -6.706868      6.630720      1.891688
  C      -6.877334      7.013959      3.247942
  C      -5.987580      2.975213      7.089780
  C      -6.722133      4.286280      6.802006
  C      -8.253204      4.179895      6.850239
  C      -8.926018      3.599705      5.631416
  N      -8.279854      2.671643      4.914036
  C      -8.912235      2.148977      3.832475
  N     -10.098931      2.476237      3.352871
  C     -10.778744      3.438733      4.051385
  C     -12.044751      3.855460      3.579067
  C     -12.773467      4.806925      4.272017
  C     -12.258830      5.369059      5.457790
  C     -11.016241      4.989499      5.934151
  C     -10.238451      4.026039      5.243037
  H      -3.509604      0.869943      2.526417
  H      -4.830615      1.236853      3.641132
  H      -3.811390     -0.637630      5.173515
  H      -2.977177     -1.182790      3.705184
  H      -5.087195     -2.394897      3.849611
  H      -5.994808     -0.905063      4.189538
  H      -7.395633      0.814235      0.364050
  H      -4.735225     -1.817558     -2.308723
  H      -3.005176     -3.573892     -1.878872
  H      -2.419923     -4.203819      0.458775
  H      -3.532875     -3.097147      2.368515
  H      -4.380275      6.063065      6.002303
  H      -2.884238      6.640489      6.715912
  H      -2.338051      7.587629      4.318040
  H      -3.544346      8.419036      5.323900
  H      -4.221973      8.094589      2.877385
  H      -4.218645      6.359439      3.148828
  H      -7.522097      8.137200      6.803575
  H     -10.271771      6.516942      3.486813
  H      -9.923097      5.791206      1.121697
  H      -7.647849      5.898756      0.104342
  H      -5.715133      6.667402      1.438426
  H      -6.196444      2.663312      8.129125
  H      -6.401856      2.199173      6.427735
  H      -6.397235      5.046774      7.530532
  H      -6.417546      4.648058      5.810028
  H      -8.555066      3.583462      7.733132
  H      -8.659456      5.186105      7.016094
  H      -8.359848      1.365725      3.297484
  H     -12.421743      3.396880      2.663707
  H     -13.750478      5.122459      3.902003
  H     -12.839802      6.117663      5.998894
  H     -10.630943      5.451497      6.841982
  N      -4.970357      3.743932      4.060006
  N      -5.932604      3.697866      3.158777
  H      -6.699576      3.058878      3.419700
  H      -6.268824      4.618031      2.848333
99
Coordinates from ORCA-job orca E -6259.090242284711
  N      -2.967066      1.722668      4.394879
  Mo     -3.627049      3.412362      5.193266
  N      -4.527244      3.069920      6.900187
  C      -3.691800      2.806041      8.071224
  C      -2.384761      2.147387      7.642619
  N      -1.781093      2.859437      6.483329
  C      -0.873748      1.967287      5.711887
  C      -1.575351      1.315453      4.497247
  C      -1.105127      4.128609      6.860177
  C      -1.221589      5.052362      5.654885
  N      -2.633081      5.128638      5.288533
  H      -1.026933      1.598843      3.576494
  H      -1.496187      0.217467      4.577256
  H      -0.017565      2.562415      5.370511
  H      -0.473999      1.196284      6.389489
  H      -0.818275      6.052650      5.886601
  H      -0.624775      4.656280      4.815912
  H      -1.652244      4.570472      7.705045
  H      -0.064312      3.939950      7.180543
  H      -4.196027      2.119160      8.774382
  H      -3.495059      3.740501      8.634307
  H      -2.604838      1.126464      7.301068
  H      -1.669244      2.085555      8.483460
  C      -3.805736      0.855814      3.578196
  C      -3.882846     -0.598965      4.065073
  C      -5.189020     -1.280226      3.598141
  C      -5.472431     -1.078749      2.135664
  N      -6.386626     -0.154551      1.823228
  C      -6.608046      0.079422      0.506456
  N      -6.024594     -0.495516     -0.531243
  C      -5.095573     -1.458534     -0.237829
  C      -4.435743     -2.128858     -1.295010
  C      -3.495976     -3.107243     -1.021936
  C      -3.187001     -3.452629      0.311131
  C      -3.816703     -2.812762      1.363985
  C      -4.779320     -1.800961      1.116519
  C      -3.326372      6.335118      5.762830
  C      -3.329165      7.499291      4.765915
  C      -4.362290      7.324857      3.654060
  C      -5.796098      7.398154      4.117525
  N      -6.047435      7.809856      5.360422
  C      -7.336969      7.798013      5.774147
  N      -8.401795      7.386128      5.106193
  C      -8.179122      6.984439      3.816875
  C      -9.269256      6.529911      3.035468
  C      -9.068733      6.130353      1.725172
  C      -7.784207      6.187192      1.147752
  C      -6.697186      6.623095      1.891334
  C      -6.864558      7.010021      3.246046
  C      -5.981037      2.981152      7.085817
  C      -6.722359      4.288855      6.799101
  C      -8.253408      4.171853      6.843218
  C      -8.925535      3.598621      5.620027
  N      -8.271349      2.689704      4.884856
  C      -8.906404      2.168844      3.802503
  N     -10.101790      2.483028      3.338429
  C     -10.788735      3.429721      4.053250
  C     -12.063316      3.835237      3.594387
  C     -12.799832      4.770098      4.302458
  C     -12.283608      5.325535      5.491270
  C     -11.032656      4.956584      5.954931
  C     -10.246965      4.011388      5.247278
  H      -3.488034      0.872973      2.516357
  H      -4.826948      1.266528      3.600220
  H      -3.865338     -0.605658      5.167564
  H      -3.014684     -1.179793      3.719091
  H      -5.143416     -2.352944      3.841041
  H      -6.034792     -0.846000      4.149737
  H      -7.362663      0.842113      0.286244
  H      -4.694186     -1.850802     -2.317688
  H      -2.991699     -3.620947     -1.842531
  H      -2.448845     -4.231036      0.511008
  H      -3.576413     -3.089403      2.391304
  H      -4.363622      6.080156      6.019453
  H      -2.862338      6.667842      6.711040
  H      -2.328935      7.598033      4.315590
  H      -3.538360      8.429097      5.315484
  H      -4.210705      8.087164      2.868579
  H      -4.201526      6.353299      3.154436
  H      -7.508361      8.154461      6.795752
  H     -10.256652      6.501346      3.497216
  H      -9.912296      5.768357      1.135322
  H      -7.642341      5.882038      0.109787
  H      -5.707421      6.663900      1.433557
  H      -6.192207      2.670282      8.124999
  H      -6.390825      2.201465      6.425236
  H      -6.408744      5.048061      7.533589
  H      -6.410590      4.655847      5.811710
  H      -8.548423      3.565681      7.721815
  H      -8.665730      5.173498      7.021024
  H      -8.346112      1.400835      3.254271
  H     -12.440613      3.381853      2.676257
  H     -13.783429      5.076553      3.941909
  H     -12.869798      6.060404      6.046002
  H     -10.648005      5.414275      6.865496
  N      -4.961082      3.762771      4.064374
  N      -5.933490      3.701069      3.170166
  H      -6.713863      3.097171      3.478782
  H      -6.262825      4.614722      2.835889
99
Coordinates from ORCA-job orca E -6259.090965702330
  N      -2.969306      1.733987      4.388976
  Mo     -3.618086      3.426500      5.194335
  N      -4.518945      3.077926      6.899703
  C      -3.686141      2.800630      8.069829
  C      -2.378218      2.142772      7.637615
  N      -1.776436      2.861314      6.482419
  C      -0.870407      1.975144      5.703612
  C      -1.584281      1.305387      4.505453
  C      -1.099896      4.128351      6.866358
  C      -1.212982      5.061676      5.668823
  N      -2.622669      5.142413      5.295926
  H      -1.029803      1.553973      3.578333
  H      -1.523171      0.208415      4.614188
  H      -0.026816      2.577907      5.344983
  H      -0.450936      1.213596      6.380247
  H      -0.809264      6.058683      5.913888
  H      -0.614515      4.674224      4.827187
  H      -1.646933      4.567360      7.712818
  H      -0.059827      3.936664      7.187899
  H      -4.193279      2.110802      8.767661
  H      -3.484950      3.729757      8.640447
  H      -2.598808      1.123731      7.290228
  H      -1.662669      2.075172      8.477727
  C      -3.803801      0.872794      3.561041
  C      -3.912237     -0.576815      4.059745
  C      -5.222962     -1.241539      3.581991
  C      -5.486201     -1.052742      2.113895
  N      -6.386459     -0.122527      1.781157
  C      -6.589765      0.099121      0.458949
  N      -6.001014     -0.493768     -0.565228
  C      -5.086313     -1.463848     -0.250425
  C      -4.422275     -2.153548     -1.292549
  C      -3.497685     -3.139534     -0.997449
  C      -3.208799     -3.473594      0.343046
  C      -3.842913     -2.814609      1.381171
  C      -4.789939     -1.794220      1.111036
  C      -3.316992      6.349407      5.768514
  C      -3.324067      7.510935      4.768717
  C      -4.355179      7.329403      3.656136
  C      -5.789319      7.401250      4.119388
  N      -6.040239      7.813370      5.361555
  C      -7.329463      7.799363      5.777230
  N      -8.392583      7.382036      5.112478
  C      -8.170796      6.979589      3.823053
  C      -9.260523      6.518427      3.045651
  C      -9.061045      6.118354      1.735610
  C      -7.778490      6.183277      1.154090
  C      -6.692182      6.625738      1.894200
  C      -6.858100      7.011004      3.249041
  C      -5.973375      2.983916      7.079761
  C      -6.718575      4.288093      6.787337
  C      -8.249432      4.165371      6.831030
  C      -8.923067      3.593616      5.607346
  N      -8.264353      2.695887      4.861626
  C      -8.903946      2.172210      3.782339
  N     -10.106523      2.474319      3.330543
  C     -10.796573      3.413233      4.054271
  C     -12.077074      3.810067      3.605341
  C     -12.815930      4.738403      4.320352
  C     -12.295526      5.294608      5.507022
  C     -11.038746      4.933119      5.961720
  C     -10.250638      3.995771      5.245990
  H      -3.464948      0.874391      2.505733
  H      -4.822205      1.298767      3.558155
  H      -3.911472     -0.573209      5.162278
  H      -3.048854     -1.175132      3.732300
  H      -5.196458     -2.312032      3.837290
  H      -6.069307     -0.788540      4.117261
  H      -7.333185      0.867736      0.221395
  H      -4.665428     -1.884284     -2.321267
  H      -2.990029     -3.668228     -1.806396
  H      -2.482646     -4.258579      0.560264
  H      -3.618466     -3.082877      2.414245
  H      -4.352468      6.094821      6.031978
  H      -2.848662      6.687570      6.712797
  H      -2.323529      7.611781      4.319602
  H      -3.536110      8.441522      5.315365
  H      -4.205547      8.089983      2.868560
  H      -4.190261      6.356577      3.160605
  H      -7.500407      8.157656      6.798208
  H     -10.246812      6.484728      3.509243
  H      -9.903966      5.750709      1.148410
  H      -7.638613      5.878253      0.115835
  H      -5.703913      6.671945      1.433568
  H      -6.186614      2.677062      8.119650
  H      -6.378746      2.198988      6.422374
  H      -6.410553      5.049615      7.521740
  H      -6.403748      4.654481      5.800686
  H      -8.540541      3.555497      7.708463
  H      -8.664837      5.164748      7.014412
  H      -8.338034      1.415526      3.224304
  H     -12.456937      3.356217      2.688415
  H     -13.804086      5.038430      3.966778
  H     -12.882983      6.023742      6.068129
  H     -10.652157      5.391505      6.871239
  N      -4.950592      3.777202      4.065277
  N      -5.932456      3.700936      3.179934
  H      -6.725170      3.136028      3.534688
  H      -6.250294      4.608852      2.820127
99
Coordinates from ORCA-job orca E -6259.091575888012
  N      -2.956401      1.736817      4.397913
  Mo     -3.599004      3.435478      5.187258
  N      -4.517573      3.077189      6.884610
  C      -3.698232      2.799223      8.065221
  C      -2.380635      2.144852      7.647001
  N      -1.776601      2.863905      6.496116
  C      -0.861696      1.981791      5.720078
  C      -1.578397      1.284753      4.541808
  C      -1.102857      4.130209      6.885469
  C      -1.197622      5.069185      5.691013
  N      -2.599243      5.151288      5.292166
  H      -1.017103      1.476015      3.606292
  H      -1.544749      0.191415      4.694763
  H      -0.028335      2.592033      5.351488
  H      -0.431824      1.232620      6.404055
  H      -0.795755      6.062015      5.953936
  H      -0.589984      4.687535      4.853177
  H      -1.657634      4.575913      7.723539
  H      -0.068634      3.934247      7.223640
  H      -4.218064      2.112927      8.755262
  H      -3.496208      3.725496      8.641199
  H      -2.596379      1.125521      7.296121
  H      -1.669868      2.079483      8.489803
  C      -3.785358      0.876183      3.560565
  C      -3.927051     -0.568233      4.069142
  C      -5.244480     -1.204699      3.570572
  C      -5.487434     -1.020929      2.097058
  N      -6.371085     -0.079755      1.750253
  C      -6.555991      0.138435      0.424601
  N      -5.964788     -0.468312     -0.589852
  C      -5.069167     -1.452029     -0.259398
  C      -4.405864     -2.158518     -1.290494
  C      -3.501910     -3.159110     -0.979883
  C      -3.234698     -3.490111      0.365716
  C      -3.868046     -2.814082      1.393493
  C      -4.793180     -1.779050      1.106966
  C      -3.299107      6.359521      5.753933
  C      -3.311905      7.515591      4.745669
  C      -4.338878      7.317262      3.630419
  C      -5.773581      7.392762      4.098884
  N      -6.010294      7.810323      5.342056
  C      -7.292935      7.805956      5.775098
  N      -8.363839      7.391661      5.126793
  C      -8.159785      6.983840      3.835096
  C      -9.259261      6.523684      3.073978
  C      -9.076168      6.115325      1.763894
  C      -7.801701      6.177744      1.163445
  C      -6.706110      6.622662      1.889091
  C      -6.855994      7.008568      3.243885
  C      -5.974003      2.975006      7.049471
  C      -6.717897      4.281025      6.758452
  C      -8.248652      4.161710      6.812926
  C      -8.931308      3.605719      5.582768
  N      -8.256148      2.745779      4.806675
  C      -8.899962      2.228169      3.726500
  N     -10.119310      2.498509      3.300996
  C     -10.821835      3.409025      4.054946
  C     -12.115564      3.786101      3.632209
  C     -12.861158      4.691853      4.371133
  C     -12.333540      5.241503      5.557455
  C     -11.063449      4.894931      5.989729
  C     -10.269723      3.982456      5.247435
  H      -3.422324      0.860652      2.514110
  H      -4.796963      1.313068      3.528306
  H      -3.948372     -0.563966      5.170739
  H      -3.067458     -1.181596      3.760172
  H      -5.244870     -2.274566      3.831214
  H      -6.088919     -0.730796      4.090710
  H      -7.285643      0.917087      0.174424
  H      -4.633283     -1.891462     -2.323484
  H      -2.994652     -3.701126     -1.780114
  H      -2.525416     -4.287430      0.594585
  H      -3.660143     -3.082400      2.430070
  H      -4.333783      6.112939      6.025461
  H      -2.821832      6.706921      6.690359
  H      -2.307560      7.617491      4.304807
  H      -3.528062      8.448873      5.283455
  H      -4.188454      8.073603      2.838866
  H      -4.167766      6.341590      3.143748
  H      -7.446241      8.169889      6.796727
  H     -10.241156      6.495209      3.546503
  H      -9.925825      5.744714      1.188329
  H      -7.679520      5.867144      0.124621
  H      -5.723408      6.666548      1.416488
  H      -6.191309      2.665723      8.087247
  H      -6.371439      2.187499      6.390575
  H      -6.405511      5.037803      7.496143
  H      -6.406253      4.655666      5.773082
  H      -8.538228      3.540694      7.683022
  H      -8.661577      5.157990      7.019316
  H      -8.317812      1.507719      3.138110
  H     -12.499943      3.339228      2.713640
  H     -13.859861      4.979155      4.036511
  H     -12.925615      5.952220      6.136934
  H     -10.671925      5.346776      6.900749
  N      -4.925271      3.784039      4.040693
  N      -5.905348      3.684373      3.159874
  H      -6.704710      3.135709      3.539536
  H      -6.232057      4.571336      2.757884
99
Coordinates from ORCA-job orca E -6259.092565928896
  N      -2.963784      1.750582      4.387092
  Mo     -3.593291      3.452689      5.190508
  N      -4.509640      3.089794      6.888316
  C      -3.687995      2.795284      8.062591
  C      -2.376113      2.140221      7.631984
  N      -1.771446      2.867213      6.485628
  C      -0.863152      1.989001      5.700732
  C      -1.594888      1.277223      4.541253
  C      -1.092399      4.128108      6.883917
  C      -1.187089      5.077988      5.697057
  N      -2.589201      5.167636      5.301256
  H      -1.030843      1.440522      3.601382
  H      -1.580355      0.186509      4.715389
  H      -0.044905      2.606770      5.311398
  H      -0.410143      1.249707      6.381157
  H      -0.782479      6.068024      5.967074
  H      -0.578514      4.702023      4.857012
  H      -1.644845      4.565496      7.727834
  H      -0.057383      3.926432      7.216636
  H      -4.207067      2.101611      8.746474
  H      -3.482900      3.714996      8.647547
  H      -2.596211      1.124579      7.273485
  H      -1.663018      2.065233      8.472861
  C      -3.793273      0.901124      3.539467
  C      -3.963283     -0.536956      4.058771
  C      -5.282833     -1.163524      3.554152
  C      -5.504672     -0.996361      2.076143
  N      -6.373857     -0.051884      1.705903
  C      -6.540920      0.151449      0.375408
  N      -5.943280     -0.473856     -0.623688
  C      -5.061701     -1.461421     -0.269598
  C      -4.392642     -2.187571     -1.283387
  C      -3.502601     -3.192507     -0.949041
  C      -3.254904     -3.509329      0.404083
  C      -3.894130     -2.814367      1.415024
  C      -4.805419     -1.773962      1.103968
  C      -3.284095      6.377659      5.764023
  C      -3.304913      7.531703      4.753134
  C      -4.337048      7.329252      3.643342
  C      -5.770941      7.399167      4.113707
  N      -6.011057      7.815008      5.356036
  C      -7.294711      7.800469      5.788398
  N      -8.362545      7.376110      5.139671
  C      -8.154090      6.969390      3.848757
  C      -9.249234      6.497330      3.087108
  C      -9.061970      6.091374      1.777418
  C      -7.787555      6.166670      1.177349
  C      -6.696594      6.621395      1.903159
  C      -6.850316      7.006353      3.258340
  C      -5.965847      2.981200      7.051538
  C      -6.716175      4.280792      6.750978
  C      -8.245965      4.152666      6.800047
  C      -8.924976      3.594169      5.570759
  N      -8.250388      2.735658      4.791375
  C      -8.897610      2.215142      3.714082
  N     -10.119824      2.481436      3.295053
  C     -10.821399      3.390993      4.049577
  C     -12.117382      3.764379      3.630764
  C     -12.862397      4.669327      4.371127
  C     -12.332096      5.221070      5.554797
  C     -11.059904      4.878046      5.983300
  C     -10.266048      3.967052      5.239356
  H      -3.410993      0.871849      2.499475
  H      -4.795490      1.354195      3.485586
  H      -3.996235     -0.519437      5.160247
  H      -3.109219     -1.166094      3.766841
  H      -5.300479     -2.229804      3.828678
  H      -6.126874     -0.672002      4.058241
  H      -7.258963      0.934381      0.107377
  H      -4.604672     -1.931397     -2.322369
  H      -2.990990     -3.749617     -1.736020
  H      -2.556382     -4.310385      0.651838
  H      -3.701480     -3.071154      2.457426
  H      -4.317388      6.130410      6.041809
  H      -2.802410      6.725495      6.697961
  H      -2.303750      7.635201      4.305593
  H      -3.521779      8.465879      5.290248
  H      -4.192832      8.082958      2.848359
  H      -4.166900      6.352287      3.158443
  H      -7.451289      8.163507      6.809770
  H     -10.230686      6.458805      3.560325
  H      -9.907987      5.712521      1.201860
  H      -7.660885      5.858048      0.138515
  H      -5.714037      6.674795      1.431355
  H      -6.184402      2.676324      8.090479
  H      -6.358329      2.188215      6.395423
  H      -6.409849      5.042608      7.485969
  H      -6.404029      4.651914      5.764914
  H      -8.533909      3.530747      7.670081
  H      -8.665567      5.146881      7.002798
  H      -8.316616      1.494174      3.125237
  H     -12.504101      3.315212      2.714383
  H     -13.862808      4.953792      4.039632
  H     -12.923912      5.930695      6.135835
  H     -10.666601      5.331499      6.892599
  N      -4.921876      3.802574      4.050472
  N      -5.915655      3.692086      3.184403
  H      -6.722665      3.185859      3.606162
  H      -6.224170      4.579397      2.768100
99
Coordinates from ORCA-job orca E -6259.093594892098
  N      -2.970418      1.765811      4.374782
  Mo     -3.587104      3.469322      5.193860
  N      -4.503797      3.093344      6.887979
  C      -3.679443      2.780493      8.054818
  C      -2.374625      2.126728      7.611726
  N      -1.768693      2.866550      6.472585
  C      -0.865867      1.995760      5.676205
  C      -1.613832      1.266909      4.540741
  C      -1.083109      4.119875      6.886041
  C      -1.174280      5.083383      5.706531
  N      -2.577471      5.182290      5.311473
  H      -1.047050      1.396613      3.596498
  H      -1.624319      0.180593      4.740114
  H      -0.068988      2.625786      5.262661
  H      -0.382570      1.269430      6.350521
  H      -0.768888      6.071193      5.983623
  H      -0.560137      4.713344      4.867648
  H      -1.635611      4.544748      7.736141
  H      -0.048241      3.910515      7.214281
  H      -4.197142      2.076068      8.729759
  H      -3.475359      3.692697      8.650639
  H      -2.597327      1.115465      7.243507
  H      -1.659353      2.042269      8.450903
  C      -3.805171      0.932796      3.518096
  C      -4.003913     -0.498999      4.045446
  C      -5.325121     -1.118412      3.538129
  C      -5.525958     -0.969811      2.056245
  N      -6.384268     -0.027313      1.658799
  C      -6.532109      0.157429      0.323378
  N      -5.922999     -0.484860     -0.658002
  C      -5.051875     -1.470543     -0.276933
  C      -4.371238     -2.214211     -1.270157
  C      -3.490885     -3.218261     -0.908839
  C      -3.263837     -3.517704      0.452229
  C      -3.914407     -2.805632      1.443523
  C      -4.816524     -1.765224      1.104599
  C      -3.267111      6.393887      5.776456
  C      -3.300416      7.544829      4.762591
  C      -4.336552      7.335733      3.658560
  C      -5.770608      7.397023      4.125537
  N      -6.022593      7.811154      5.366011
  C      -7.310788      7.786253      5.787393
  N      -8.372743      7.354126      5.128293
  C      -8.150186      6.950321      3.839605
  C      -9.236314      6.472860      3.065543
  C      -9.035232      6.071412      1.757154
  C      -7.755081      6.154112      1.169586
  C      -6.673171      6.612718      1.906146
  C      -6.840769      6.996442      3.261570
  C      -5.959697      2.983323      7.050760
  C      -6.711228      4.281913      6.751934
  C      -8.240003      4.150203      6.793588
  C      -8.915144      3.596796      5.563177
  N      -8.239319      2.751605      4.768378
  C      -8.891673      2.232097      3.693831
  N     -10.121135      2.489036      3.291321
  C     -10.824242      3.385274      4.056886
  C     -12.127772      3.747960      3.652301
  C     -12.874192      4.640782      4.405001
  C     -12.338379      5.190195      5.586502
  C     -11.059753      4.857443      6.001512
  C     -10.263312      3.958968      5.245421
  H      -3.405959      0.892794      2.484011
  H      -4.797078      1.403968      3.447047
  H      -4.044585     -0.467646      5.146896
  H      -3.156877     -1.143837      3.767703
  H      -5.358637     -2.180895      3.825946
  H      -6.168035     -0.610807      4.027713
  H      -7.242445      0.938872      0.034690
  H      -4.567013     -1.971519     -2.315564
  H      -2.970494     -3.788820     -1.680212
  H      -2.572866     -4.318301      0.721416
  H      -3.737923     -3.048167      2.492181
  H      -4.298882      6.144462      6.061872
  H      -2.780106      6.741993      6.707169
  H      -2.303432      7.655262      4.307443
  H      -3.523313      8.478700      5.300347
  H      -4.198718      8.086074      2.859565
  H      -4.166068      6.357411      3.175828
  H      -7.479177      8.150496      6.806693
  H     -10.221430      6.427978      3.531307
  H      -9.874162      5.689129      1.173475
  H      -7.615379      5.849289      0.131327
  H      -5.686820      6.673522      1.443788
  H      -6.180563      2.672994      8.087961
  H      -6.349665      2.193139      6.388474
  H      -6.405704      5.042558      7.488495
  H      -6.399469      4.654651      5.767366
  H      -8.529558      3.523699      7.659926
  H      -8.663962      5.142736      6.995168
  H      -8.309902      1.521366      3.093676
  H     -12.519066      3.300457      2.737266
  H     -13.880224      4.917406      4.084866
  H     -12.931918      5.890355      6.176950
  H     -10.662280      5.308717      6.909736
  N      -4.917093      3.820643      4.057192
  N      -5.923672      3.698761      3.207727
  H      -6.731736      3.215186      3.655276
  H      -6.218914      4.587171      2.781692
99
Coordinates from ORCA-job orca E -6259.094590632644
  N      -2.965825      1.773134      4.368928
  Mo     -3.574962      3.481110      5.189845
  N      -4.500117      3.098311      6.880344
  C      -3.678869      2.773815      8.046386
  C      -2.374981      2.122296      7.601086
  N      -1.765324      2.869458      6.467986
  C      -0.863703      2.002616      5.668147
  C      -1.621852      1.249893      4.558953
  C      -1.077957      4.118544      6.891805
  C      -1.162042      5.091638      5.718769
  N      -2.561982      5.195621      5.315387
  H      -1.049706      1.335128      3.612639
  H      -1.659070      0.170764      4.793098
  H      -0.085385      2.641417      5.233123
  H      -0.356601      1.291688      6.342175
  H      -0.757365      6.077286      6.004758
  H      -0.540078      4.727161      4.882909
  H      -1.634248      4.536371      7.742835
  H      -0.044678      3.904270      7.222248
  H      -4.199969      2.062905      8.712180
  H      -3.477373      3.680300      8.651546
  H      -2.597303      1.113617      7.225745
  H      -1.660564      2.032845      8.440798
  C      -3.801535      0.950023      3.503851
  C      -4.030853     -0.474179      4.039863
  C      -5.355853     -1.078318      3.523986
  C      -5.537475     -0.942690      2.038697
  N      -6.381517      0.003315      1.620836
  C      -6.512562      0.175893      0.282113
  N      -5.898226     -0.482424     -0.685315
  C      -5.042007     -1.472563     -0.283680
  C      -4.357666     -2.233860     -1.261091
  C      -3.492408     -3.243199     -0.879384
  C      -3.284380     -3.531179      0.487456
  C      -3.938756     -2.802075      1.463532
  C      -4.825483     -1.755682      1.103353
  C      -3.250751      6.408253      5.778185
  C      -3.291201      7.556763      4.760781
  C      -4.330456      7.342499      3.660665
  C      -5.764185      7.400217      4.128925
  N      -6.017856      7.812631      5.369557
  C      -7.305814      7.781551      5.791754
  N      -8.366630      7.343836      5.133238
  C      -8.142090      6.941412      3.844807
  C      -9.225585      6.456606      3.070571
  C      -9.022740      6.057168      1.762340
  C      -7.743110      6.148564      1.173793
  C      -6.664081      6.613210      1.910278
  C      -6.833650      6.995509      3.266216
  C      -5.956050      2.982685      7.038035
  C      -6.710050      4.279240      6.738772
  C      -8.238049      4.145388      6.780786
  C      -8.914592      3.597625      5.549309
  N      -8.235428      2.769405      4.738056
  C      -8.891652      2.251624      3.664942
  N     -10.129212      2.493974      3.279563
  C     -10.835627      3.375725      4.058829
  C     -12.147181      3.725777      3.670225
  C     -12.895299      4.606052      4.436185
  C     -12.353513      5.154080      5.615296
  C     -11.067515      4.832341      6.015891
  C     -10.269057      3.947038      5.245942
  H      -3.382179      0.895877      2.478066
  H      -4.780788      1.435841      3.410155
  H      -4.083361     -0.432574      5.140561
  H      -3.190458     -1.134376      3.778392
  H      -5.410589     -2.137285      3.821515
  H      -6.195481     -0.552316      3.999483
  H      -7.212158      0.960921     -0.022126
  H      -4.538839     -1.999880     -2.311137
  H      -2.969175     -3.827435     -1.638475
  H      -2.605384     -4.336448      0.772642
  H      -3.777166     -3.035788      2.516551
  H      -4.281999      6.159575      6.067316
  H      -2.760669      6.758122      6.706420
  H      -2.296126      7.668461      4.301817
  H      -3.515799      8.491662      5.296460
  H      -4.196334      8.090111      2.858614
  H      -4.160797      6.362884      3.180053
  H      -7.474430      8.144478      6.811420
  H     -10.209996      6.405368      3.537518
  H      -9.859225      5.669164      1.178930
  H      -7.601398      5.845010      0.135476
  H      -5.677812      6.680113      1.448740
  H      -6.179578      2.670172      8.073927
  H      -6.340745      2.191709      6.372822
  H      -6.402984      5.039365      7.475268
  H      -6.401377      4.654603      5.754428
  H      -8.528453      3.514597      7.643844
  H      -8.664549      5.136255      6.986004
  H      -8.305254      1.557494      3.049590
  H     -12.543239      3.279771      2.756593
  H     -13.907494      4.873969      4.128457
  H     -12.948956      5.844154      6.215599
  H     -10.665298      5.281034      6.923273
  N      -4.904445      3.830009      4.049669
  N      -5.921567      3.697228      3.215475
  H      -6.734994      3.242001      3.689352
  H      -6.203315      4.578432      2.765480
99
Coordinates from ORCA-job orca E -6259.095648185864
  N      -2.952548      1.775151      4.368230
  Mo     -3.560301      3.486757      5.182545
  N      -4.499195      3.095625      6.866043
  C      -3.683093      2.763668      8.035030
  C      -2.375825      2.117392      7.594530
  N      -1.761541      2.872761      6.468027
  C      -0.857747      2.010163      5.667305
  C      -1.622987      1.227785      4.590120
  C      -1.075851      4.119440      6.902740
  C      -1.151834      5.100428      5.735317
  N      -2.546645      5.205405      5.318439
  H      -1.044310      1.261427      3.644784
  H      -1.689074      0.159355      4.866130
  H      -0.100904      2.658376      5.208702
  H      -0.325395      1.318622      6.342901
  H      -0.751278      6.085345      6.029307
  H      -0.518325      4.741932      4.905246
  H      -1.639223      4.529842      7.752584
  H      -0.044853      3.902218      7.238401
  H      -4.208972      2.046829      8.690591
  H      -3.489198      3.665789      8.648953
  H      -2.593298      1.110290      7.212163
  H      -1.664098      2.026734      8.436042
  C      -3.791031      0.960034      3.498256
  C      -4.049072     -0.456892      4.039660
  C      -5.378550     -1.043232      3.514220
  C      -5.545247     -0.915715      2.026354
  N      -6.375660      0.035814      1.593292
  C      -6.492844      0.199955      0.252448
  N      -5.875993     -0.471501     -0.704479
  C      -5.034701     -1.467868     -0.287546
  C      -4.349908     -2.244067     -1.253027
  C      -3.500164     -3.260713     -0.856374
  C      -3.308476     -3.541605      0.514439
  C      -3.963333     -2.797908      1.479156
  C      -4.834096     -1.743830      1.103368
  C      -3.238273      6.418216      5.776895
  C      -3.282359      7.564461      4.756224
  C      -4.320377      7.344740      3.656097
  C      -5.754836      7.399515      4.122761
  N      -6.010827      7.810667      5.364052
  C      -7.298444      7.777741      5.785446
  N      -8.358993      7.340200      5.125664
  C      -8.132357      6.939788      3.837273
  C      -9.214777      6.456216      3.060197
  C      -9.010750      6.059523      1.751729
  C      -7.730030      6.151328      1.164672
  C      -6.652195      6.614250      1.903674
  C      -6.823780      6.995000      3.259975
  C      -5.955043      2.977296      7.018075
  C      -6.707635      4.276030      6.724895
  C      -8.235162      4.145405      6.771097
  C      -8.916029      3.607334      5.537169
  N      -8.231338      2.804277      4.704176
  C      -8.888800      2.290570      3.630543
  N     -10.136572      2.510824      3.266593
  C     -10.850026      3.369347      4.066100
  C     -12.173311      3.698096      3.700043
  C     -12.926345      4.556851      4.485670
  C     -12.378127      5.103508      5.662457
  C     -11.081362      4.801202      6.042514
  C     -10.278168      3.937584      5.252392
  H      -3.353573      0.894453      2.480788
  H      -4.756656      1.457932      3.385294
  H      -4.112337     -0.408620      5.139461
  H      -3.215027     -1.130369      3.791656
  H      -5.454922     -2.099378      3.817102
  H      -6.213384     -0.500240      3.979128
  H      -7.182365      0.989241     -0.063791
  H      -4.518884     -2.015200     -2.306315
  H      -2.976538     -3.856747     -1.605913
  H      -2.641913     -4.353177      0.811096
  H      -3.814647     -3.026414      2.535158
  H      -4.270200      6.170502      6.064879
  H      -2.748864      6.770468      6.704344
  H      -2.287261      7.678515      4.297733
  H      -3.511451      8.499767      5.289166
  H      -4.186670      8.090486      2.852197
  H      -4.150027      6.364379      3.177151
  H      -7.467494      8.140033      6.805294
  H     -10.199290      6.404595      3.527060
  H      -9.846127      5.672313      1.166191
  H      -7.586776      5.849074      0.126198
  H      -5.664703      6.680973      1.444909
  H      -6.181563      2.658753      8.051323
  H      -6.335939      2.189397      6.346717
  H      -6.393464      5.032075      7.462747
  H      -6.403652      4.657748      5.741093
  H      -8.528836      3.509526      7.629441
  H      -8.660687      5.135577      6.983524
  H      -8.294161      1.622356      2.993979
  H     -12.574455      3.254361      2.787642
  H     -13.947649      4.809619      4.195683
  H     -12.978435      5.776690      6.276831
  H     -10.673436      5.246140      6.949283
  N      -4.889958      3.831636      4.034458
  N      -5.916020      3.693842      3.215745
  H      -6.734564      3.246632      3.699380
  H      -6.189051      4.563995      2.740107
99
Coordinates from ORCA-job orca E -6259.096688138735
  N      -2.943994      1.782862      4.364544
  Mo     -3.545348      3.497174      5.178491
  N      -4.494373      3.099116      6.854719
  C      -3.684855      2.758304      8.026571
  C      -2.374851      2.114180      7.589691
  N      -1.757434      2.875902      6.469159
  C      -0.853723      2.018009      5.664296
  C      -1.629496      1.211339      4.615330
  C      -1.071414      4.119238      6.913817
  C      -1.140216      5.108840      5.753026
  N      -2.531089      5.217230      5.325100
  H      -1.044960      1.195356      3.673218
  H      -1.721644      0.155317      4.930451
  H      -0.117307      2.673156      5.182740
  H      -0.297034      1.343450      6.337981
  H      -0.741710      6.091242      6.057980
  H      -0.499416      4.757724      4.925303
  H      -1.638459      4.524444      7.763663
  H      -0.042294      3.897987      7.252755
  H      -4.215684      2.037997      8.673983
  H      -3.494114      3.656167      8.647594
  H      -2.589764      1.108663      7.201621
  H      -1.665826      2.020604      8.432721
  C      -3.782363      0.975146      3.486711
  C      -4.072420     -0.433136      4.034823
  C      -5.405981     -1.000412      3.499170
  C      -5.555972     -0.885267      2.008347
  N      -6.371345      0.070952      1.557413
  C      -6.473058      0.222431      0.213707
  N      -5.853955     -0.465321     -0.730016
  C      -5.028566     -1.467026     -0.294437
  C      -4.343100     -2.260915     -1.245055
  C      -3.510099     -3.283664     -0.829439
  C      -3.336450     -3.553270      0.546082
  C      -3.992108     -2.792045      1.496430
  C      -4.845660     -1.731209      1.101073
  C      -3.225039      6.430420      5.779768
  C      -3.272084      7.573694      4.755939
  C      -4.307802      7.347230      3.654989
  C      -5.742874      7.398777      4.120296
  N      -6.000303      7.809040      5.361644
  C      -7.287585      7.772430      5.783272
  N      -8.346529      7.331343      5.124064
  C      -8.118764      6.932278      3.835494
  C      -9.199999      6.445354      3.058951
  C      -8.995685      6.050488      1.750255
  C      -7.715460      6.147074      1.162324
  C      -6.638844      6.612715      1.900985
  C      -6.810874      6.992014      3.257480
  C      -5.950738      2.976700      6.998303
  C      -6.704748      4.274958      6.705488
  C      -8.231923      4.143344      6.753271
  C      -8.917668      3.611267      5.518790
  N      -8.230856      2.829149      4.666902
  C      -8.893290      2.316366      3.595750
  N     -10.149923      2.516735      3.252892
  C     -10.866524      3.356329      4.070466
  C     -12.200155      3.665703      3.726525
  C     -12.955558      4.506683      4.529365
  C     -12.398880      5.054087      5.701890
  C     -11.092167      4.769722      6.061273
  C     -10.287078      3.924154      5.253366
  H      -3.327394      0.894780      2.478141
  H      -4.737361      1.488131      3.352678
  H      -4.148316     -0.375245      5.133291
  H      -3.246859     -1.122512      3.802713
  H      -5.504313     -2.052258      3.810764
  H      -6.236271     -0.438676      3.949878
  H      -7.150873      1.015693     -0.117846
  H      -4.498486     -2.040528     -2.302259
  H      -2.985878     -3.893584     -1.567292
  H      -2.683250     -4.370185      0.857536
  H      -3.857681     -3.012015      2.556146
  H      -4.256453      6.182800      6.069509
  H      -2.735260      6.787171      6.705249
  H      -2.276760      7.690671      4.298653
  H      -3.505676      8.509332      5.286151
  H      -4.175444      8.091100      2.849088
  H      -4.134056      6.366016      3.179076
  H      -7.457582      8.133947      6.803237
  H     -10.183720      6.389890      3.527038
  H      -9.829920      5.660879      1.164694
  H      -7.572099      5.845869      0.123544
  H      -5.651599      6.682307      1.442120
  H      -6.181839      2.655831      8.029744
  H      -6.326113      2.188516      6.323948
  H      -6.390362      5.030052      7.444222
  H      -6.401092      4.659527      5.722657
  H      -8.524743      3.503676      7.609145
  H      -8.657812      5.132234      6.971827
  H      -8.293790      1.670038      2.941351
  H     -12.607518      3.222242      2.816729
  H     -13.985014      4.744978      4.256351
  H     -13.001172      5.713152      6.329524
  H     -10.677830      5.213687      6.965731
  N      -4.874645      3.842028      4.027394
  N      -5.910261      3.697982      3.223788
  H      -6.731912      3.270949      3.727409
  H      -6.175680      4.557611      2.725792
99
Coordinates from ORCA-job orca E -6259.097706036345
  N      -2.926707      1.784100      4.366089
  Mo     -3.529582      3.497417      5.171587
  N      -4.490659      3.100329      6.836375
  C      -3.696031      2.759646      8.019967
  C      -2.375162      2.116000      7.601527
  N      -1.754413      2.878297      6.485405
  C      -0.848044      2.023994      5.679464
  C      -1.630471      1.189297      4.657574
  C      -1.073017      4.122484      6.934291
  C      -1.135492      5.113811      5.776968
  N      -2.520578      5.219564      5.332214
  H      -1.032658      1.117245      3.727022
  H      -1.743983      0.150441      5.021126
  H      -0.132060      2.682456      5.171952
  H      -0.269268      1.368630      6.353522
  H      -0.741314      6.094234      6.093634
  H      -0.488996      4.771749      4.950091
  H      -1.644060      4.529569      7.780641
  H      -0.046070      3.901439      7.279933
  H      -4.235334      2.043213      8.662977
  H      -3.509624      3.657950      8.641892
  H      -2.583205      1.108739      7.213794
  H      -1.674097      2.025699      8.449642
  C      -3.760170      0.974850      3.482856
  C      -4.080562     -0.424966      4.034940
  C      -5.418726     -0.966155      3.484979
  C      -5.558712     -0.855689      1.991507
  N      -6.359653      0.110449      1.533724
  C      -6.451143      0.254808      0.187949
  N      -5.837077     -0.445829     -0.748994
  C      -5.027342     -1.457626     -0.304513
  C      -4.348677     -2.265616     -1.248032
  C      -3.533559     -3.298456     -0.822087
  C      -3.372339     -3.563197      0.555493
  C      -4.021619     -2.787373      1.498595
  C      -4.856677     -1.715965      1.093140
  C      -3.224557      6.430809      5.779981
  C      -3.259597      7.573006      4.756291
  C      -4.282491      7.345591      3.643060
  C      -5.720327      7.401325      4.100863
  N      -5.976805      7.811829      5.342270
  C      -7.263358      7.780089      5.763737
  N      -8.320812      7.343694      5.105410
  C      -8.095457      6.945438      3.815423
  C      -9.179949      6.464262      3.042714
  C      -8.980220      6.070225      1.732792
  C      -7.700830      6.161892      1.143033
  C      -6.620553      6.621704      1.879472
  C      -6.788028      6.999956      3.235224
  C      -5.948374      2.979991      6.968774
  C      -6.700809      4.281703      6.678521
  C      -8.228254      4.151342      6.734065
  C      -8.925252      3.616684      5.503791
  N      -8.238223      2.853303      4.636706
  C      -8.905095      2.335911      3.570391
  N     -10.171468      2.509534      3.250914
  C     -10.891558      3.329083      4.088672
  C     -12.239722      3.606511      3.775105
  C     -12.999759      4.425431      4.597072
  C     -12.431049      4.984287      5.759492
  C     -11.109822      4.731436      6.089264
  C     -10.302850      3.906294      5.262358
  H      -3.290375      0.879994      2.483462
  H      -4.710355      1.502460      3.329504
  H      -4.171403     -0.360895      5.131458
  H      -3.264156     -1.129587      3.817364
  H      -5.538257     -2.014386      3.801569
  H      -6.244232     -0.387180      3.923342
  H      -7.116858      1.055005     -0.153814
  H      -4.495202     -2.048319     -2.307115
  H      -3.014189     -3.919920     -1.553774
  H      -2.733384     -4.388495      0.874673
  H      -3.897300     -3.003764      2.560349
  H      -4.256312      6.180595      6.062208
  H      -2.744928      6.796045      6.707925
  H      -2.259043      7.690915      4.310895
  H      -3.497587      8.507964      5.283797
  H      -4.142124      8.090875      2.839415
  H      -4.101301      6.364901      3.169515
  H      -7.434245      8.139888      6.784195
  H     -10.162039      6.411233      3.513601
  H      -9.817018      5.685776      1.147551
  H      -7.562428      5.860244      0.103577
  H      -5.633868      6.683949      1.417725
  H      -6.186415      2.659264      7.998561
  H      -6.322008      2.192106      6.294061
  H      -6.387742      5.036636      7.417780
  H      -6.393515      4.667210      5.696818
  H      -8.514967      3.514135      7.593642
  H      -8.650373      5.141188      6.957133
  H      -8.298762      1.713282      2.900471
  H     -12.655110      3.155905      2.872163
  H     -14.040832      4.637790      4.346943
  H     -13.036006      5.626253      6.402367
  H     -10.686663      5.182100      6.986794
  N      -4.854570      3.843196      4.014115
  N      -5.896487      3.706645      3.220414
  H      -6.723731      3.283338      3.726957
  H      -6.156379      4.551490      2.698736
99
Coordinates from ORCA-job orca E -6259.098757866760
  N      -2.929643      1.793685      4.358050
  Mo     -3.523557      3.508820      5.172475
  N      -4.487453      3.104431      6.834303
  C      -3.695306      2.755335      8.016540
  C      -2.377394      2.110597      7.594654
  N      -1.755023      2.877582      6.482716
  C      -0.854182      2.027832      5.668446
  C      -1.651761      1.175061      4.676125
  C      -1.068450      4.116151      6.939092
  C      -1.125458      5.116293      5.787324
  N      -2.508976      5.228832      5.338183
  H      -1.051299      1.054341      3.751953
  H      -1.794355      0.152721      5.075087
  H      -0.161534      2.691944      5.136366
  H      -0.248712      1.387582      6.334268
  H      -0.730849      6.093886      6.112556
  H      -0.474128      4.779765      4.961853
  H      -1.639151      4.518541      7.787837
  H      -0.042276      3.889115      7.283549
  H      -4.236732      2.035817      8.654939
  H      -3.508275      3.650098      8.642939
  H      -2.587196      1.105089      7.203534
  H      -1.676423      2.016200      8.443151
  C      -3.763455      0.993922      3.466822
  C      -4.112363     -0.397548      4.023670
  C      -5.451575     -0.924683      3.463719
  C      -5.570669     -0.827064      1.968025
  N      -6.354776      0.142423      1.489891
  C      -6.427924      0.274286      0.141711
  N      -5.809274     -0.441986     -0.780237
  C      -5.016103     -1.457328     -0.315303
  C      -4.333745     -2.281674     -1.241844
  C      -3.535419     -3.318868     -0.795291
  C      -3.395080     -3.572265      0.586916
  C      -4.048172     -2.780440      1.513702
  C      -4.866158     -1.703846      1.086939
  C      -3.210063      6.442572      5.782924
  C      -3.251497      7.580592      4.754308
  C      -4.277464      7.347832      3.645136
  C      -5.715179      7.402293      4.102413
  N      -5.975612      7.814141      5.342092
  C      -7.263738      7.778628      5.760503
  N      -8.318963      7.336472      5.100088
  C      -8.088628      6.936528      3.811740
  C      -9.169160      6.448176      3.036673
  C      -8.964435      6.053117      1.728154
  C      -7.683727      6.150089      1.141504
  C      -6.607534      6.615730      1.879963
  C      -6.779922      6.995941      3.235065
  C      -5.945315      2.985117      6.962794
  C      -6.695286      4.287992      6.675020
  C      -8.222046      4.157143      6.727920
  C      -8.916024      3.623087      5.497665
  N      -8.224761      2.875083      4.619833
  C      -8.892329      2.356732      3.554284
  N     -10.163954      2.512979      3.247643
  C     -10.889404      3.316115      4.095507
  C     -12.244346      3.573789      3.795237
  C     -13.009402      4.377066      4.627801
  C     -12.438970      4.939596      5.787145
  C     -11.111363      4.705428      6.104450
  C     -10.299326      3.895866      5.267184
  H      -3.279510      0.886164      2.474976
  H      -4.701857      1.534606      3.296561
  H      -4.213974     -0.323378      5.118878
  H      -3.304440     -1.116096      3.820667
  H      -5.590770     -1.968144      3.788346
  H      -6.273428     -0.329687      3.886878
  H      -7.080573      1.077810     -0.216007
  H      -4.464120     -2.073175     -2.304778
  H      -3.013221     -3.952900     -1.514066
  H      -2.769582     -4.401280      0.922494
  H      -3.940393     -2.987904      2.578972
  H      -4.240607      6.193342      6.072361
  H      -2.725577      6.811040      6.706864
  H      -2.253028      7.698809      4.304471
  H      -3.490322      8.517418      5.279217
  H      -4.140143      8.088830      2.837200
  H      -4.096964      6.364907      3.175733
  H      -7.438232      8.140372      6.779659
  H     -10.152007      6.390653      3.505905
  H      -9.797996      5.663641      1.141621
  H      -7.540446      5.847585      0.102994
  H      -5.619729      6.681287      1.421307
  H      -6.187659      2.660151      7.990378
  H      -6.317910      2.200597      6.282980
  H      -6.381588      5.040806      7.416092
  H      -6.387167      4.675482      5.694770
  H      -8.509741      3.519027      7.586560
  H      -8.646455      5.146460      6.949263
  H      -8.282569      1.746738      2.875999
  H     -12.660900      3.121080      2.893961
  H     -14.055762      4.574212      4.388008
  H     -13.047939      5.569377      6.438204
  H     -10.686972      5.158028      7.000289
  N      -4.849387      3.856555      4.018033
  N      -5.903655      3.712198      3.241489
  H      -6.728770      3.306954      3.767380
  H      -6.157777      4.550392      2.705657
99
Coordinates from ORCA-job orca E -6259.099753628057
  N      -2.927950      1.802635      4.345767
  Mo     -3.518800      3.516956      5.169407
  N      -4.487512      3.108464      6.827979
  C      -3.701398      2.753020      8.011545
  C      -2.385680      2.106699      7.591708
  N      -1.759026      2.876034      6.484555
  C      -0.862704      2.028759      5.664098
  C      -1.671788      1.160446      4.698116
  C      -1.068332      4.110158      6.946610
  C      -1.117482      5.116714      5.797575
  N      -2.499156      5.234144      5.341003
  H      -1.064800      0.989350      3.785933
  H      -1.847917      0.158201      5.133159
  H      -0.192761      2.697363      5.108762
  H      -0.233070      1.402702      6.321637
  H      -0.723930      6.092461      6.129842
  H      -0.459498      4.783967      4.975809
  H      -1.640034      4.510517      7.795580
  H      -0.043705      3.877898      7.292400
  H      -4.246698      2.031302      8.644927
  H      -3.515589      3.645213      8.641471
  H      -2.596148      1.101992      7.199411
  H      -1.687938      2.010040      8.443558
  C      -3.760251      1.011461      3.445733
  C      -4.139922     -0.370631      4.006996
  C      -5.480639     -0.882417      3.437025
  C      -5.578828     -0.797060      1.939678
  N      -6.344059      0.177119      1.442152
  C      -6.398845      0.297512      0.092042
  N      -5.777510     -0.434980     -0.815308
  C      -5.003181     -1.455371     -0.330959
  C      -4.319446     -2.296647     -1.240967
  C      -3.540148     -3.339822     -0.774877
  C      -3.420662     -3.582684      0.611352
  C      -4.075302     -2.774256      1.522394
  C      -4.874043     -1.690992      1.075408
  C      -3.199097      6.449703      5.781274
  C      -3.241178      7.586715      4.750620
  C      -4.269865      7.355398      3.643699
  C      -5.707558      7.410431      4.099957
  N      -5.971735      7.824056      5.337653
  C      -7.261454      7.784814      5.753217
  N      -8.314402      7.335121      5.091287
  C      -8.079147      6.932268      3.804947
  C      -9.154854      6.432911      3.028757
  C      -8.944934      6.036520      1.721626
  C      -7.663757      6.142147      1.136981
  C      -6.592105      6.616712      1.876552
  C      -6.769451      6.998622      3.231202
  C      -5.945932      2.993401      6.955776
  C      -6.693358      4.298327      6.675822
  C      -8.219499      4.167552      6.734740
  C      -8.912060      3.621376      5.511786
  N      -8.217359      2.875667      4.634741
  C      -8.882419      2.353065      3.569849
  N     -10.156484      2.498121      3.267144
  C     -10.887797      3.292329      4.117218
  C     -12.247134      3.532765      3.823189
  C     -13.017671      4.327860      4.658426
  C     -12.448445      4.900170      5.812914
  C     -11.116482      4.683132      6.124077
  C     -10.299220      3.880776      5.285258
  H      -3.261626      0.890214      2.462167
  H      -4.686655      1.566247      3.257824
  H      -4.252216     -0.286288      5.100747
  H      -3.341764     -1.103992      3.818932
  H      -5.640580     -1.920671      3.769097
  H      -6.297831     -0.271261      3.845352
  H      -7.036273      1.105750     -0.280770
  H      -4.433519     -2.096216     -2.307290
  H      -3.016902     -3.986822     -1.481226
  H      -2.810295     -4.416388      0.962563
  H      -3.983848     -2.973289      2.590734
  H      -4.230186      6.200831      6.071370
  H      -2.715013      6.818245      6.705205
  H      -2.243724      7.702295      4.297992
  H      -3.477895      8.525108      5.274883
  H      -4.133002      8.094410      2.834089
  H      -4.092311      6.371212      3.175641
  H      -7.439545      8.149691      6.770577
  H     -10.137999      6.368286      3.497068
  H      -9.774711      5.639689      1.134638
  H      -7.515522      5.839173      0.099356
  H      -5.603984      6.688250      1.419651
  H      -6.190011      2.662067      7.981053
  H      -6.321182      2.214811      6.270290
  H      -6.374783      5.049468      7.416470
  H      -6.389816      4.686609      5.694813
  H      -8.504762      3.536652      7.599571
  H      -8.645103      5.158688      6.945906
  H      -8.268407      1.749517      2.889302
  H     -12.662537      3.073555      2.924789
  H     -14.067556      4.511086      4.423687
  H     -13.061694      5.523944      6.465672
  H     -10.692851      5.142988      7.016375
  N      -4.840749      3.866643      4.013719
  N      -5.902632      3.720597      3.248164
  H      -6.728641      3.323469      3.778196
  H      -6.148193      4.553912      2.700184
99
Coordinates from ORCA-job orca E -6259.100642836310
  N      -2.920254      1.810332      4.338435
  Mo     -3.512298      3.522652      5.167587
  N      -4.485638      3.111583      6.822071
  C      -3.706603      2.756370      8.010647
  C      -2.388172      2.108892      7.598182
  N      -1.759035      2.877539      6.493456
  C      -0.867087      2.031441      5.667507
  C      -1.685940      1.147091      4.728057
  C      -1.067224      4.110161      6.956786
  C      -1.112598      5.120096      5.810358
  N      -2.491558      5.238758      5.346248
  H      -1.072883      0.924634      3.831351
  H      -1.892505      0.167583      5.201318
  H      -0.219193      2.702440      5.088888
  H      -0.215774      1.419570      6.317564
  H      -0.721174      6.094224      6.149813
  H      -0.450528      4.792128      4.990118
  H      -1.638615      4.511413      7.805571
  H      -0.043273      3.875925      7.303424
  H      -4.256092      2.036409      8.642037
  H      -3.522194      3.648996      8.640552
  H      -2.596908      1.103225      7.207657
  H      -1.694843      2.013449      8.453592
  C      -3.747298      1.023606      3.429177
  C      -4.159088     -0.347247      3.995508
  C      -5.501593     -0.838616      3.412000
  C      -5.581264     -0.763856      1.912893
  N      -6.323963      0.219470      1.399888
  C      -6.361857      0.330455      0.048228
  N      -5.743687     -0.419633     -0.846547
  C      -4.992504     -1.449646     -0.346085
  C      -4.314131     -2.309742     -1.242386
  C      -3.559035     -3.363085     -0.759965
  C      -3.459284     -3.597507      0.629277
  C      -4.108960     -2.770605      1.527097
  C      -4.882887     -1.676527      1.063289
  C      -3.193041      6.456086      5.779252
  C      -3.230888      7.590319      4.745371
  C      -4.257402      7.356924      3.636843
  C      -5.695337      7.414692      4.092313
  N      -5.958715      7.831418      5.328753
  C      -7.247960      7.792517      5.746090
  N      -8.300217      7.338290      5.087548
  C      -8.065957      6.931374      3.802200
  C      -9.141280      6.425015      3.030464
  C      -8.932743      6.025659      1.724079
  C      -7.653388      6.135116      1.136018
  C      -6.581827      6.615242      1.872005
  C      -6.757798      6.999901      3.225689
  C      -5.944817      2.997338      6.945457
  C      -6.690630      4.303946      6.667149
  C      -8.216961      4.174210      6.729617
  C      -8.911687      3.620304      5.510962
  N      -8.214755      2.882199      4.629885
  C      -8.880084      2.355738      3.566882
  N     -10.157423      2.486915      3.272085
  C     -10.892786      3.269919      4.129645
  C     -12.257859      3.491541      3.847939
  C     -13.032466      4.274121      4.691560
  C     -12.461343      4.852926      5.841857
  C     -11.123472      4.654273      6.140965
  C     -10.302914      3.864497      5.293791
  H      -3.232004      0.885721      2.456722
  H      -4.661586      1.591322      3.219209
  H      -4.285335     -0.252710      5.086828
  H      -3.371198     -1.095808      3.824726
  H      -5.684986     -1.870767      3.750904
  H      -6.312499     -0.209163      3.804996
  H      -6.980895      1.146919     -0.337791
  H      -4.412917     -2.115492     -2.311371
  H      -3.039875     -4.024628     -1.455772
  H      -2.868066     -4.439425      0.993440
  H      -4.032893     -2.963228      2.597806
  H      -4.224928      6.209121      6.067793
  H      -2.711667      6.828166      6.703296
  H      -2.231961      7.702746      4.295168
  H      -3.466789      8.530715      5.265974
  H      -4.118921      8.093552      2.825278
  H      -4.079826      6.371101      3.172365
  H      -7.425277      8.160811      6.762225
  H     -10.123055      6.357356      3.501070
  H      -9.762264      5.623952      1.140070
  H      -7.506484      5.829992      0.098846
  H      -5.594927      6.687859      1.412674
  H      -6.191966      2.663734      7.969247
  H      -6.319664      2.221076      6.257667
  H      -6.371128      5.054667      7.407872
  H      -6.387433      4.692394      5.685719
  H      -8.499909      3.549139      7.599424
  H      -8.642050      5.166979      6.935542
  H      -8.263060      1.760679      2.881516
  H     -12.674439      3.027939      2.952332
  H     -14.087011      4.442100      4.466334
  H     -13.077519      5.466655      6.501361
  H     -10.698466      5.118344      7.030574
  N      -4.831119      3.871507      4.009410
  N      -5.900665      3.721577      3.254182
  H      -6.726180      3.331247      3.790186
  H      -6.143819      4.546097      2.693187
99
Coordinates from ORCA-job orca E -6259.101422073491
  N      -2.913460      1.820160      4.323694
  Mo     -3.512114      3.524693      5.167739
  N      -4.485724      3.109452      6.819850
  C      -3.711256      2.757121      8.012099
  C      -2.390992      2.110439      7.605172
  N      -1.761525      2.878092      6.501029
  C      -0.874431      2.033700      5.666760
  C      -1.700308      1.139290      4.748305
  C      -1.068218      4.109644      6.962684
  C      -1.112479      5.120812      5.816852
  N      -2.490989      5.238319      5.350553
  H      -1.082112      0.871871      3.867847
  H      -1.937300      0.182474      5.254053
  H      -0.249330      2.709219      5.068088
  H      -0.202560      1.433046      6.306514
  H      -0.724127      6.094859      6.159832
  H      -0.447979      4.795244      4.997844
  H      -1.637294      4.512312      7.812389
  H      -0.043858      3.874569      7.307474
  H      -4.262850      2.038470      8.643214
  H      -3.528828      3.651349      8.640384
  H      -2.597314      1.102960      7.218858
  H      -1.701285      2.018513      8.464217
  C      -3.734529      1.038124      3.405934
  C      -4.174910     -0.321534      3.977965
  C      -5.518987     -0.797255      3.384707
  C      -5.581302     -0.733748      1.884553
  N      -6.302616      0.256832      1.355621
  C      -6.323809      0.358509      0.002892
  N      -5.707430     -0.407920     -0.879203
  C      -4.978363     -1.445678     -0.362676
  C      -4.303798     -2.322976     -1.244904
  C      -3.571095     -3.384693     -0.746436
  C      -3.490529     -3.610318      0.645488
  C      -4.136653     -2.766481      1.530043
  C      -4.887885     -1.663749      1.049565
  C      -3.191932      6.457788      5.777112
  C      -3.224714      7.590650      4.741162
  C      -4.250856      7.358446      3.632176
  C      -5.688708      7.418072      4.087418
  N      -5.952850      7.838343      5.322355
  C      -7.242288      7.798315      5.740025
  N      -8.293379      7.337210      5.083708
  C      -8.058075      6.925556      3.800140
  C      -9.130876      6.410035      3.030861
  C      -8.920724      6.007083      1.725761
  C      -7.642536      6.121995      1.136148
  C      -6.573021      6.610176      1.870206
  C      -6.750621      6.998048      3.222780
  C      -5.946024      2.998418      6.942532
  C      -6.687917      4.308350      6.669729
  C      -8.214904      4.184315      6.736225
  C      -8.910520      3.617277      5.524558
  N      -8.212026      2.875312      4.648661
  C      -8.875970      2.344851      3.586982
  N     -10.153444      2.472654      3.290162
  C     -10.892094      3.252879      4.146943
  C     -12.259122      3.465127      3.867654
  C     -13.036738      4.243847      4.712125
  C     -12.467065      4.828682      5.859697
  C     -11.126877      4.639858      6.155877
  C     -10.303580      3.853919      5.308380
  H      -3.204600      0.884509      2.443753
  H      -4.637088      1.617468      3.176118
  H      -4.311807     -0.216273      5.067166
  H      -3.396981     -1.083890      3.822512
  H      -5.722643     -1.823225      3.730537
  H      -6.323382     -0.151711      3.764486
  H      -6.924996      1.182075     -0.395743
  H      -4.387352     -2.135249     -2.316331
  H      -3.054945     -4.059357     -1.431785
  H      -2.916930     -4.458694      1.022519
  H      -4.075136     -2.952441      2.602875
  H      -4.225459      6.213431      6.062305
  H      -2.713441      6.829983      6.702653
  H      -2.224582      7.698694      4.292419
  H      -3.457760      8.532969      5.259716
  H      -4.110904      8.094033      2.820010
  H      -4.075059      6.371659      3.169067
  H      -7.419856      8.171000      6.754444
  H     -10.112426      6.338293      3.501400
  H      -9.748497      5.598666      1.143918
  H      -7.494719      5.814850      0.099746
  H      -5.586971      6.686357      1.409780
  H      -6.194463      2.658717      7.963990
  H      -6.322617      2.228329      6.249424
  H      -6.363991      5.056834      7.410914
  H      -6.387083      4.696892      5.687504
  H      -8.497675      3.571474      7.614702
  H      -8.636676      5.181260      6.929464
  H      -8.258428      1.747547      2.903743
  H     -12.674585      2.997298      2.973784
  H     -14.092938      4.403812      4.488995
  H     -13.085497      5.439278      6.519949
  H     -10.703133      5.108637      7.043570
  N      -4.829920      3.874052      4.010082
  N      -5.902734      3.719885      3.259905
  H      -6.726485      3.325269      3.789326
  H      -6.145607      4.539346      2.691729
99
Coordinates from ORCA-job orca E -6259.102055376708
  N      -2.895370      1.829191      4.314301
  Mo     -3.501747      3.526902      5.167704
  N      -4.481841      3.103524      6.814175
  C      -3.711893      2.749584      8.010058
  C      -2.385253      2.110349      7.609693
  N      -1.756606      2.882390      6.508388
  C      -0.869257      2.043433      5.667754
  C      -1.701107      1.134384      4.772934
  C      -1.066666      4.113923      6.974057
  C      -1.110239      5.129210      5.832530
  N      -2.485927      5.243609      5.358580
  H      -1.081098      0.823833      3.908412
  H      -1.961454      0.199483      5.308558
  H      -0.266315      2.723731      5.051861
  H      -0.177255      1.457412      6.299749
  H      -0.727962      6.103007      6.182710
  H      -0.440008      4.810432      5.015517
  H      -1.638031      4.512648      7.824107
  H      -0.042302      3.879902      7.319837
  H      -4.265084      2.027653      8.635500
  H      -3.536531      3.642588      8.642114
  H      -2.584166      1.101521      7.222898
  H      -1.698592      2.022062      8.470829
  C      -3.710301      1.051137      3.386898
  C      -4.184654     -0.294669      3.965231
  C      -5.531347     -0.751864      3.362214
  C      -5.581115     -0.701683      1.860926
  N      -6.285084      0.293321      1.316634
  C      -6.293708      0.381823     -0.037208
  N      -5.680668     -0.401583     -0.906643
  C      -4.970557     -1.444317     -0.374038
  C      -4.301297     -2.339824     -1.242198
  C      -3.587947     -3.406683     -0.727416
  C      -3.522018     -3.619421      0.667240
  C      -4.163178     -2.757696      1.538197
  C      -4.894575     -1.649611      1.040776
  C      -3.190775      6.463466      5.778337
  C      -3.221274      7.593565      4.739410
  C      -4.242930      7.357993      3.627139
  C      -5.681893      7.416325      4.079065
  N      -5.948271      7.838911      5.313079
  C      -7.237356      7.796733      5.730057
  N      -8.286115      7.331042      5.075167
  C      -8.049276      6.917260      3.792690
  C      -9.119999      6.396066      3.025031
  C      -8.908353      5.989765      1.721416
  C      -7.630749      6.108052      1.130921
  C      -6.563293      6.602172      1.863570
  C      -6.742409      6.992320      3.214934
  C      -5.943095      2.987772      6.931871
  C      -6.688432      4.297268      6.663926
  C      -8.215795      4.173875      6.732269
  C      -8.919403      3.607827      5.522935
  N      -8.225911      2.872771      4.636343
  C      -8.896217      2.346851      3.576430
  N     -10.176002      2.472532      3.290193
  C     -10.910332      3.246153      4.157992
  C     -12.279872      3.457463      3.890539
  C     -13.052405      4.230478      4.745439
  C     -12.474777      4.810355      5.891815
  C     -11.131811      4.622396      6.176605
  C     -10.313961      3.842000      5.318360
  H      -3.162406      0.877928      2.438533
  H      -4.598450      1.643518      3.131066
  H      -4.333209     -0.176329      5.051399
  H      -3.418722     -1.072521      3.827713
  H      -5.756456     -1.770591      3.715818
  H      -6.327194     -0.088413      3.729018
  H      -6.880508      1.209664     -0.449021
  H      -4.373455     -2.161616     -2.316089
  H      -3.075897     -4.095453     -1.401770
  H      -2.963631     -4.472169      1.057093
  H      -4.112899     -2.933939      2.613281
  H      -4.225072      6.219227      6.059482
  H      -2.716812      6.839956      6.704451
  H      -2.219570      7.701811      4.294349
  H      -3.456972      8.536508      5.254877
  H      -4.100979      8.093078      2.814768
  H      -4.064809      6.370986      3.165719
  H      -7.416089      8.171161      6.743526
  H     -10.101295      6.322037      3.495410
  H      -9.734412      5.575961      1.140976
  H      -7.482423      5.798316      0.095327
  H      -5.577379      6.680431      1.403292
  H      -6.192547      2.642945      7.951043
  H      -6.314596      2.218987      6.234678
  H      -6.364499      5.042381      7.408458
  H      -6.389195      4.691706      5.683668
  H      -8.498529      3.563929      7.612757
  H      -8.634879      5.172070      6.925637
  H      -8.281538      1.760270      2.881318
  H     -12.701561      2.993904      2.997271
  H     -14.110702      4.389954      4.531424
  H     -13.089340      5.416113      6.560252
  H     -10.701863      5.086667      7.063876
  N      -4.820996      3.873710      4.007682
  N      -5.897561      3.714527      3.266987
  H      -6.719845      3.320903      3.804675
  H      -6.144314      4.525978      2.689664
99
Coordinates from ORCA-job orca E -6259.102619346422
  N      -2.888504      1.840849      4.298573
  Mo     -3.507550      3.525140      5.174626
  N      -4.480483      3.093971      6.822535
  C      -3.709843      2.748760      8.019814
  C      -2.380248      2.113287      7.620809
  N      -1.756705      2.883137      6.516068
  C      -0.875141      2.047517      5.665269
  C      -1.712356      1.133645      4.784230
  C      -1.066170      4.115765      6.975601
  C      -1.116955      5.131516      5.834285
  N      -2.494641      5.241362      5.365007
  H      -1.090221      0.789110      3.934426
  H      -1.995657      0.218125      5.341435
  H      -0.292900      2.733143      5.035418
  H      -0.166324      1.469493      6.285932
  H      -0.737719      6.106255      6.185215
  H      -0.448199      4.816075      5.014807
  H      -1.631982      4.514880      7.829283
  H      -0.039011      3.883920      7.314937
  H      -4.260486      2.028424      8.649216
  H      -3.536652      3.645627      8.647146
  H      -2.575318      1.101252      7.240788
  H      -1.693577      2.032038      8.482754
  C      -3.695952      1.065418      3.363702
  C      -4.199141     -0.268061      3.946957
  C      -5.545613     -0.709983      3.331449
  C      -5.577285     -0.670328      1.829457
  N      -6.259027      0.331475      1.269652
  C      -6.250044      0.410459     -0.084817
  N      -5.638909     -0.388471     -0.941222
  C      -4.951606     -1.438154     -0.392840
  C      -4.286081     -2.350059     -1.246714
  C      -3.595945     -3.424299     -0.715991
  C      -3.550269     -3.628274      0.680827
  C      -4.188086     -2.750496      1.538060
  C      -4.895740     -1.634599      1.024156
  C      -3.198979      6.463527      5.777374
  C      -3.224905      7.589315      4.733689
  C      -4.245920      7.349602      3.621634
  C      -5.685054      7.408764      4.073599
  N      -5.951558      7.838479      5.305060
  C      -7.240214      7.795561      5.723685
  N      -8.287965      7.321897      5.073300
  C      -8.051223      6.900136      3.793429
  C      -9.120483      6.368920      3.030836
  C      -8.908601      5.955063      1.729629
  C      -7.632515      6.075873      1.136202
  C      -6.566396      6.579704      1.864153
  C      -6.745484      6.976853      3.213289
  C      -5.942202      2.979744      6.941669
  C      -6.682563      4.293158      6.679267
  C      -8.210424      4.177890      6.745207
  C      -8.912831      3.605964      5.538152
  N      -8.219088      2.864354      4.657499
  C      -8.888431      2.338142      3.597420
  N     -10.166399      2.469301      3.304903
  C     -10.901022      3.247277      4.168382
  C     -12.269089      3.462254      3.896414
  C     -13.041866      4.238317      4.748347
  C     -12.466212      4.817499      5.895942
  C     -11.124419      4.626340      6.184746
  C     -10.306356      3.843277      5.329345
  H      -3.133485      0.874799      2.427259
  H      -4.570425      1.666366      3.086546
  H      -4.359826     -0.137984      5.030065
  H      -3.443924     -1.059151      3.826129
  H      -5.790167     -1.722189      3.690677
  H      -6.334876     -0.031278      3.684215
  H      -6.818791      1.244427     -0.509264
  H      -4.342314     -2.178400     -2.322632
  H      -3.086826     -4.125632     -1.379503
  H      -3.010244     -4.486993      1.083289
  H      -4.153515     -2.920346      2.614791
  H      -4.234365      6.221795      6.056255
  H      -2.727663      6.843169      6.703633
  H      -2.222129      7.693013      4.289755
  H      -3.458176      8.535603      5.244115
  H      -4.104124      8.082236      2.807039
  H      -4.067148      6.361229      3.163468
  H      -7.418711      8.177901      6.734307
  H     -10.101298      6.293284      3.501939
  H      -9.733587      5.533313      1.153377
  H      -7.484615      5.760241      0.102357
  H      -5.581452      6.658867      1.402127
  H      -6.191934      2.630020      7.959094
  H      -6.315092      2.216019      6.240128
  H      -6.356464      5.033999      7.427264
  H      -6.381451      4.689832      5.700489
  H      -8.498420      3.578337      7.631042
  H      -8.624030      5.180545      6.927824
  H      -8.275669      1.744378      2.907054
  H     -12.689474      2.998890      3.002489
  H     -14.099040      4.400328      4.530876
  H     -13.080892      5.425256      6.562374
  H     -10.696201      5.090227      7.072992
  N      -4.831086      3.867059      4.017856
  N      -5.911312      3.696519      3.283038
  H      -6.730349      3.302927      3.822368
  H      -6.162845      4.500970      2.698169
99
Coordinates from ORCA-job orca E -6259.103082855098
  N      -2.871604      1.854083      4.282522
  Mo     -3.505845      3.522935      5.180312
  N      -4.479179      3.079900      6.824411
  C      -3.709657      2.737687      8.023121
  C      -2.375493      2.110898      7.626830
  N      -1.754686      2.884040      6.522902
  C      -0.873413      2.053732      5.665891
  C      -1.713480      1.135369      4.794626
  C      -1.066768      4.117335      6.984068
  C      -1.120872      5.136348      5.845294
  N      -2.498769      5.241248      5.374522
  H      -1.087807      0.762361      3.959646
  H      -2.019666      0.236707      5.366830
  H      -0.307383      2.744889      5.027255
  H      -0.151536      1.483580      6.278728
  H      -0.747622      6.112083      6.199641
  H      -0.448321      4.826791      5.026669
  H      -1.632510      4.511939      7.839900
  H      -0.038394      3.887651      7.321099
  H      -4.258076      2.013434      8.650112
  H      -3.543791      3.635133      8.651495
  H      -2.563039      1.096913      7.248307
  H      -1.690008      2.035272      8.490322
  C      -3.671787      1.082519      3.338676
  C      -4.207300     -0.236524      3.927091
  C      -5.554503     -0.663091      3.301825
  C      -5.571380     -0.638430      1.799553
  N      -6.236487      0.364891      1.222927
  C      -6.214128      0.429549     -0.132104
  N      -5.604069     -0.384955     -0.974544
  C      -4.934404     -1.436710     -0.408989
  C      -4.271799     -2.365186     -1.247197
  C      -3.599817     -3.442174     -0.699088
  C      -3.569893     -3.632569      0.700135
  C      -4.204982     -2.738406      1.542315
  C      -4.894097     -1.619284      1.010450
  C      -3.205062      6.464856      5.778200
  C      -3.229521      7.586057      4.729249
  C      -4.248459      7.342070      3.616308
  C      -5.688607      7.399452      4.064624
  N      -5.959587      7.834934      5.293112
  C      -7.249303      7.790033      5.708456
  N      -8.293876      7.308330      5.058183
  C      -8.052465      6.880637      3.781305
  C      -9.117795      6.341021      3.018769
  C      -8.900816      5.920066      1.720788
  C      -7.623722      6.043084      1.129640
  C      -6.561617      6.555918      1.857079
  C      -6.745446      6.959419      3.203945
  C      -5.941509      2.964185      6.943033
  C      -6.681254      4.279920      6.691226
  C      -8.209446      4.169895      6.758311
  C      -8.917341      3.601064      5.553537
  N      -8.229767      2.858644      4.668122
  C      -8.904349      2.340941      3.607577
  N     -10.182555      2.478990      3.319331
  C     -10.911202      3.256877      4.187707
  C     -12.278236      3.481407      3.918718
  C     -13.044619      4.259788      4.774345
  C     -12.463382      4.831368      5.922772
  C     -11.122408      4.630813      6.208766
  C     -10.310426      3.845584      5.349343
  H      -3.092063      0.872674      2.416938
  H      -4.530333      1.694626      3.035840
  H      -4.378427     -0.091885      5.006819
  H      -3.464964     -1.042292      3.824212
  H      -5.818755     -1.667551      3.668687
  H      -6.335715      0.031854      3.640344
  H      -6.769002      1.265689     -0.570350
  H      -4.315827     -2.203874     -2.325278
  H      -3.093009     -4.156358     -1.350555
  H      -3.044353     -4.493723      1.116276
  H      -4.182904     -2.897979      2.620928
  H      -4.241177      6.222659      6.054286
  H      -2.737716      6.849117      6.704462
  H      -2.226234      7.688571      4.286244
  H      -3.464109      8.534438      5.235497
  H      -4.106428      8.073089      2.800296
  H      -4.067757      6.352975      3.160659
  H      -7.431610      8.176783      6.716756
  H     -10.099735      6.264514      3.487446
  H      -9.722595      5.491120      1.145279
  H      -7.472059      5.722318      0.097930
  H      -5.575959      6.637367      1.396925
  H      -6.190825      2.605840      7.957561
  H      -6.313203      2.206119      6.235034
  H      -6.352342      5.014752      7.443992
  H      -6.380890      4.682774      5.714647
  H      -8.500211      3.574491      7.646052
  H      -8.617491      5.175402      6.938223
  H      -8.296695      1.748744      2.911322
  H     -12.703114      3.023921      3.023903
  H     -14.101008      4.429560      4.559111
  H     -13.073183      5.440786      6.592158
  H     -10.689915      5.089049      7.097802
  N      -4.832875      3.860787      4.024308
  N      -5.913597      3.681003      3.294087
  H      -6.729247      3.280960      3.835166
  H      -6.171806      4.481073      2.706015
99
Coordinates from ORCA-job orca E -6259.103471124910
  N      -2.854477      1.868624      4.268269
  Mo     -3.506083      3.520159      5.188876
  N      -4.476973      3.065458      6.831360
  C      -3.706493      2.724976      8.029706
  C      -2.367795      2.108171      7.633142
  N      -1.751955      2.885486      6.530002
  C      -0.869161      2.060707      5.668617
  C      -1.708315      1.142203      4.797902
  C      -1.068715      4.120849      6.992549
  C      -1.128523      5.143215      5.856811
  N      -2.506813      5.241632      5.385596
  H      -1.078608      0.753627      3.973291
  H      -2.030142      0.253109      5.376327
  H      -0.311952      2.756958      5.027663
  H      -0.140969      1.493935      6.276874
  H      -0.761114      6.119666      6.215092
  H      -0.453644      4.840769      5.037309
  H      -1.634326      4.510600      7.850729
  H      -0.038731      3.894705      7.326952
  H      -4.251162      1.995804      8.654100
  H      -3.546428      3.621704      8.660694
  H      -2.548157      1.092988      7.254306
  H      -1.681893      2.036864      8.496548
  C      -3.646526      1.099554      3.315888
  C      -4.218264     -0.202545      3.908970
  C      -5.565417     -0.609397      3.270244
  C      -5.565865     -0.600465      1.767614
  N      -6.209644      0.406664      1.173870
  C      -6.172796      0.456323     -0.181613
  N      -5.567508     -0.376403     -1.009307
  C      -4.920301     -1.432594     -0.425976
  C      -4.264912     -2.380541     -1.247897
  C      -3.616160     -3.462392     -0.681795
  C      -3.603095     -3.638335      0.719655
  C      -4.231434     -2.724971      1.546016
  C      -4.896758     -1.600406      0.995633
  C      -3.216344      6.466269      5.779279
  C      -3.237298      7.582649      4.725098
  C      -4.252080      7.332014      3.609514
  C      -5.693687      7.387724      4.054123
  N      -5.967418      7.829830      5.279473
  C      -7.257335      7.782939      5.694248
  N      -8.299322      7.293643      5.046173
  C      -8.055375      6.859167      3.771996
  C      -9.118492      6.311452      3.012372
  C      -8.898998      5.882135      1.717696
  C      -7.621873      6.006169      1.126446
  C      -6.562179      6.528107      1.850752
  C      -6.748117      6.939011      3.194941
  C      -5.939509      2.949533      6.951638
  C      -6.677780      4.267608      6.706768
  C      -8.205987      4.161848      6.774498
  C      -8.916236      3.594752      5.570498
  N      -8.231803      2.848497      4.685567
  C      -8.908105      2.335310      3.624275
  N     -10.185349      2.479638      3.334941
  C     -10.910466      3.262000      4.202699
  C     -12.275313      3.495628      3.931301
  C     -13.038253      4.279420      4.785244
  C     -12.455268      4.846624      5.934923
  C     -11.116202      4.636933      6.223417
  C     -10.307614      3.846700      5.365261
  H      -3.048797      0.867451      2.411291
  H      -4.486768      1.723796      2.984295
  H      -4.401778     -0.042178      4.984392
  H      -3.491168     -1.024398      3.826219
  H      -5.852932     -1.604826      3.644338
  H      -6.337046      0.103953      3.591924
  H      -6.710482      1.295984     -0.634397
  H      -4.295967     -2.230030     -2.327995
  H      -3.114868     -4.191767     -1.320559
  H      -3.096041     -4.503654      1.149896
  H      -4.222925     -2.873586      2.626401
  H      -4.253417      6.223461      6.050620
  H      -2.754743      6.855861      6.706218
  H      -2.232486      7.684087      4.285253
  H      -3.474171      8.533353      5.225756
  H      -4.109443      8.060930      2.791685
  H      -4.067308      6.342006      3.157702
  H      -7.442323      8.176835      6.699320
  H     -10.100640      6.235214      3.480522
  H      -9.718671      5.445784      1.144765
  H      -7.468842      5.679035      0.096929
  H      -5.576832      6.611158      1.390223
  H      -6.187306      2.587175      7.965126
  H      -6.311915      2.194049      6.241481
  H      -6.347138      4.998352      7.462822
  H      -6.376544      4.674144      5.731875
  H      -8.499426      3.570056      7.663686
  H      -8.609876      5.169612      6.952169
  H      -8.302554      1.742187      2.927125
  H     -12.701609      3.040996      3.035689
  H     -14.092960      4.456694      4.567936
  H     -13.062251      5.459978      6.603242
  H     -10.682567      5.091994      7.113538
  N      -4.837736      3.850368      4.034081
  N      -5.919342      3.661545      3.307765
  H      -6.736103      3.272784      3.857969
  H      -6.179977      4.454002      2.710556
99
Coordinates from ORCA-job orca E -6259.103798074723
  N      -2.833918      1.884330      4.254997
  Mo     -3.505910      3.515289      5.200161
  N      -4.479882      3.046735      6.835476
  C      -3.711511      2.714667      8.037423
  C      -2.368250      2.104177      7.644587
  N      -1.751847      2.882860      6.540847
  C      -0.867500      2.060291      5.680608
  C      -1.705846      1.145578      4.805584
  C      -1.070636      4.118634      7.005496
  C      -1.133299      5.143947      5.873952
  N      -2.511314      5.238608      5.402518
  H      -1.068769      0.742452      3.993954
  H      -2.050067      0.265745      5.385191
  H      -0.309609      2.758155      5.041664
  H      -0.140941      1.491971      6.289003
  H      -0.770520      6.120760      6.235971
  H      -0.454813      4.848122      5.054676
  H      -1.635952      4.503758      7.865918
  H      -0.039708      3.893587      7.337419
  H      -4.254308      1.984443      8.662341
  H      -3.557968      3.614316      8.665873
  H      -2.542575      1.087643      7.266484
  H      -1.683459      2.038313      8.509293
  C      -3.619050      1.117856      3.294830
  C      -4.218690     -0.171017      3.889886
  C      -5.563465     -0.566296      3.239225
  C      -5.551942     -0.573490      1.736729
  N      -6.184947      0.432177      1.128847
  C      -6.140553      0.467376     -0.226612
  N      -5.536947     -0.378022     -1.042658
  C      -4.900629     -1.432995     -0.444783
  C      -4.248205     -2.394241     -1.253389
  C      -3.611504     -3.475626     -0.672727
  C      -3.607929     -3.637806      0.730480
  C      -4.233272     -2.710997      1.544007
  C      -4.886218     -1.586402      0.978757
  C      -3.220871      6.467797      5.781428
  C      -3.243457      7.572438      4.714538
  C      -4.257281      7.311702      3.600173
  C      -5.700623      7.367847      4.039091
  N      -5.981083      7.814976      5.261112
  C      -7.273487      7.768409      5.668884
  N      -8.311881      7.275738      5.016530
  C      -8.060354      6.836811      3.745244
  C      -9.119149      6.286064      2.981350
  C      -8.891813      5.850183      1.690151
  C      -7.610961      5.971535      1.106416
  C      -6.555903      6.497470      1.834234
  C      -6.749574      6.914621      3.175679
  C      -5.942484      2.932782      6.951846
  C      -6.675477      4.255484      6.717299
  C      -8.203785      4.159926      6.787430
  C      -8.922763      3.604698      5.583233
  N      -8.247582      2.865918      4.684554
  C      -8.932968      2.366201      3.623180
  N     -10.212753      2.513662      3.347241
  C     -10.929272      3.287605      4.229285
  C     -12.296215      3.525038      3.972390
  C     -13.050280      4.303489      4.838939
  C     -12.455813      4.861138      5.987413
  C     -11.114798      4.646858      6.262377
  C     -10.315204      3.861425      5.391463
  H      -3.002720      0.868762      2.407570
  H      -4.440807      1.748669      2.937658
  H      -4.413373      0.002221      4.961426
  H      -3.501908     -1.003392      3.824591
  H      -5.867453     -1.554274      3.620307
  H      -6.328990      0.159767      3.545842
  H      -6.670397      1.305888     -0.691099
  H      -4.272333     -2.254259     -2.335079
  H      -3.112463     -4.215502     -1.301097
  H      -3.110769     -4.503072      1.172197
  H      -4.233023     -2.849015      2.625826
  H      -4.257075      6.226259      6.057219
  H      -2.758165      6.869309      6.702559
  H      -2.238958      7.670904      4.273363
  H      -3.481964      8.527583      5.206122
  H      -4.114537      8.034928      2.777330
  H      -4.069697      6.318852      3.155981
  H      -7.464987      8.164776      6.671893
  H     -10.104035      6.212942      3.444302
  H      -9.707876      5.410680      1.114532
  H      -7.451230      5.638842      0.079672
  H      -5.567461      6.578694      1.379733
  H      -6.194088      2.560856      7.961078
  H      -6.314021      2.185202      6.233336
  H      -6.338658      4.979324      7.477275
  H      -6.372469      4.666205      5.744573
  H      -8.501243      3.569370      7.676015
  H      -8.599287      5.170786      6.967883
  H      -8.332396      1.785362      2.911444
  H     -12.731427      3.078407      3.077018
  H     -14.106531      4.484479      4.632637
  H     -13.055987      5.470561      6.665417
  H     -10.671902      5.093756      7.152167
  N      -4.841325      3.844374      4.047200
  N      -5.920465      3.646164      3.321766
  H      -6.731763      3.239539      3.868141
  H      -6.192895      4.436045      2.726717
99
Coordinates from ORCA-job orca E -6259.104146046597
  N      -2.812550      1.894107      4.243764
  Mo     -3.505360      3.507834      5.206760
  N      -4.480269      3.029242      6.840311
  C      -3.711261      2.694662      8.040749
  C      -2.364847      2.094162      7.646459
  N      -1.751457      2.880368      6.546745
  C      -0.858801      2.064338      5.688536
  C      -1.688702      1.153507      4.801695
  C      -1.079827      4.119333      7.017974
  C      -1.146941      5.149561      5.890885
  N      -2.524271      5.237538      5.415759
  H      -1.044555      0.754039      3.993944
  H      -2.038133      0.271637      5.375380
  H      -0.296628      2.766094      5.057543
  H      -0.136144      1.493931      6.299583
  H      -0.791468      6.126840      6.259019
  H      -0.463703      4.862406      5.072223
  H      -1.649359      4.496276      7.879218
  H      -0.047979      3.899344      7.350352
  H      -4.250275      1.957007      8.660309
  H      -3.563710      3.591066      8.675338
  H      -2.532772      1.078430      7.263367
  H      -1.680161      2.028909      8.511331
  C      -3.589722      1.129838      3.275300
  C      -4.226052     -0.140817      3.872847
  C      -5.569699     -0.516788      3.209336
  C      -5.542654     -0.538067      1.707009
  N      -6.153634      0.471292      1.083286
  C      -6.095969      0.492389     -0.272163
  N      -5.498332     -0.370157     -1.074237
  C      -4.884640     -1.429171     -0.459966
  C      -4.240637     -2.408749     -1.253090
  C      -3.626902     -3.494300     -0.655947
  C      -3.638524     -3.642435      0.748869
  C      -4.256120     -2.697694      1.547271
  C      -4.885872     -1.568482      0.965016
  C      -3.239127      6.466787      5.782743
  C      -3.255038      7.567028      4.711219
  C      -4.261935      7.300861      3.591704
  C      -5.707643      7.358556      4.022658
  N      -5.993915      7.812685      5.240313
  C      -7.288279      7.767065      5.642863
  N      -8.322710      7.267738      4.989604
  C      -8.064821      6.820962      3.722330
  C      -9.119601      6.262517      2.958493
  C      -8.886291      5.817883      1.671590
  C      -7.603346      5.938490      1.092000
  C      -6.552374      6.472339      1.819600
  C      -6.752008      6.898198      3.157392
  C      -5.942814      2.919901      6.960413
  C      -6.671644      4.246591      6.733923
  C      -8.199848      4.156610      6.807865
  C      -8.923005      3.607102      5.603908
  N      -8.252139      2.867955      4.702401
  C      -8.940846      2.375155      3.640071
  N     -10.221084      2.525577      3.367816
  C     -10.933553      3.299021      4.253620
  C     -12.300408      3.540555      4.000404
  C     -13.050609      4.319214      4.870194
  C     -12.451940      4.872768      6.018437
  C     -11.110799      4.654458      6.289713
  C     -10.315070      3.869074      5.415356
  H      -2.955892      0.858026      2.407258
  H      -4.390894      1.773533      2.889709
  H      -4.430819      0.047452      4.939963
  H      -3.525570     -0.988164      3.826014
  H      -5.895575     -1.496089      3.595025
  H      -6.326086      0.224583      3.500956
  H      -6.607263      1.334936     -0.749856
  H      -4.252856     -2.278994     -2.336247
  H      -3.134164     -4.248444     -1.272213
  H      -3.159280     -4.510991      1.203694
  H      -4.268046     -2.824384      2.630438
  H      -4.277003      6.223319      6.050046
  H      -2.785380      6.873409      6.706119
  H      -2.248034      7.663558      4.275436
  H      -3.496783      8.524403      5.196808
  H      -4.114743      8.020526      2.766555
  H      -4.071228      6.305950      3.153550
  H      -7.484979      8.169204      6.642464
  H     -10.105920      6.191229      3.418588
  H      -9.698877      5.371940      1.096055
  H      -7.438907      5.598892      0.068246
  H      -5.562767      6.553759      1.367811
  H      -6.192853      2.545156      7.969028
  H      -6.319303      2.175857      6.240704
  H      -6.329918      4.965646      7.496269
  H      -6.368629      4.660076      5.762419
  H      -8.497328      3.565733      7.696114
  H      -8.591488      5.168586      6.991085
  H      -8.343116      1.793281      2.926973
  H     -12.738816      3.096847      3.105093
  H     -14.106865      4.503424      4.666850
  H     -13.049011      5.482201      6.699196
  H     -10.664756      5.097908      7.179666
  N      -4.841349      3.826571      4.051765
  N      -5.918319      3.624881      3.323630
  H      -6.736006      3.239010      3.875867
  H      -6.184866      4.409299      2.718540
99
Coordinates from ORCA-job orca E -6259.104481030527
  N      -2.796526      1.913466      4.232812
  Mo     -3.505275      3.508732      5.216828
  N      -4.479375      3.016377      6.846111
  C      -3.709887      2.679161      8.045560
  C      -2.361976      2.084382      7.648506
  N      -1.750301      2.877727      6.552364
  C      -0.853006      2.066715      5.694163
  C      -1.679774      1.164661      4.795453
  C      -1.083401      4.117099      7.030741
  C      -1.155269      5.154704      5.910456
  N      -2.533129      5.241054      5.435754
  H      -1.031246      0.768061      3.989919
  H      -2.036272      0.280568      5.361749
  H      -0.282946      2.770478      5.072481
  H      -0.136862      1.489346      6.306375
  H      -0.803727      6.130431      6.286529
  H      -0.470511      4.876330      5.089851
  H      -1.652941      4.486370      7.895252
  H      -0.050248      3.898638      7.359872
  H      -4.246603      1.936870      8.661614
  H      -3.564817      3.572920      8.684441
  H      -2.527410      1.070453      7.259497
  H      -1.677015      2.016483      8.512839
  C      -3.569828      1.156178      3.254864
  C      -4.249516     -0.094042      3.849176
  C      -5.588711     -0.443132      3.163649
  C      -5.534498     -0.486585      1.662519
  N      -6.106729      0.529608      1.013495
  C      -6.024479      0.529122     -0.340895
  N      -5.436336     -0.360734     -1.119849
  C      -4.861939     -1.426371     -0.479376
  C      -4.230701     -2.434384     -1.246642
  C      -3.656822     -3.526820     -0.623044
  C      -3.696766     -3.653499      0.783350
  C      -4.302650     -2.680901      1.556786
  C      -4.891859     -1.544179      0.947190
  C      -3.248848      6.473249      5.789740
  C      -3.263040      7.565524      4.710098
  C      -4.263018      7.288069      3.586844
  C      -5.711685      7.342717      4.008532
  N      -6.008221      7.800223      5.222309
  C      -7.305364      7.749684      5.616312
  N      -8.332583      7.241515      4.958516
  C      -8.063737      6.791038      3.694714
  C      -9.110196      6.223267      2.926470
  C      -8.866152      5.775708      1.642554
  C      -7.580363      5.902258      1.070706
  C      -6.537248      6.445065      1.802934
  C      -6.747999      6.874304      3.137846
  C      -5.941799      2.912829      6.966175
  C      -6.665909      4.243246      6.746742
  C      -8.193546      4.157243      6.827403
  C      -8.920844      3.609171      5.624967
  N      -8.252530      2.872558      4.719598
  C      -8.944340      2.383017      3.657850
  N     -10.226030      2.531070      3.391089
  C     -10.936875      3.298810      4.283289
  C     -12.306398      3.534446      4.039040
  C     -13.055061      4.306956      4.915589
  C     -12.452048      4.860713      6.061393
  C     -11.108123      4.648304      6.323703
  C     -10.314376      3.868454      5.443060
  H      -2.921128      0.861608      2.405622
  H      -4.347923      1.814698      2.845226
  H      -4.469380      0.107983      4.910724
  H      -3.568420     -0.957919      3.822191
  H      -5.946906     -1.409083      3.554790
  H      -6.332232      0.320266      3.430891
  H      -6.504287      1.377825     -0.839809
  H      -4.220718     -2.320477     -2.331608
  H      -3.173816     -4.302904     -1.219440
  H      -3.248885     -4.527438      1.259360
  H      -4.337037     -2.790535      2.641342
  H      -4.287045      6.230875      6.056189
  H      -2.797139      6.887696      6.710612
  H      -2.254144      7.662598      4.278742
  H      -3.510696      8.525224      5.188087
  H      -4.113516      8.002347      2.757499
  H      -4.065804      6.290570      3.157497
  H      -7.511646      8.157013      6.611877
  H     -10.098802      6.148132      3.381015
  H      -9.672292      5.322789      1.063418
  H      -7.407349      5.560371      0.049100
  H      -5.545591      6.531901      1.356714
  H      -6.193486      2.532274      7.972265
  H      -6.321285      2.174906      6.241733
  H      -6.317863      4.959262      7.509101
  H      -6.364583      4.657149      5.774929
  H      -8.488288      3.567289      7.717040
  H      -8.583017      5.169770      7.013078
  H      -8.347073      1.806564      2.939877
  H     -12.747972      3.091119      3.145114
  H     -14.113443      4.486362      4.719240
  H     -13.047692      5.465670      6.747314
  H     -10.658620      5.091463      7.212053
  N      -4.843108      3.825066      4.064569
  N      -5.920185      3.623637      3.335558
  H      -6.740625      3.250535      3.891085
  H      -6.184781      4.405379      2.726165
99
Coordinates from ORCA-job orca E -6259.104774898294
  N      -2.773041      1.925219      4.226890
  Mo     -3.503842      3.503845      5.224614
  N      -4.481077      2.999563      6.849926
  C      -3.713364      2.665638      8.051039
  C      -2.362251      2.076642      7.655466
  N      -1.750710      2.875170      6.562799
  C      -0.845589      2.069331      5.708604
  C      -1.664119      1.171762      4.797748
  C      -1.093039      4.117695      7.047149
  C      -1.167933      5.159896      5.931407
  N      -2.544485      5.242056      5.452353
  H      -1.008433      0.779430      3.995873
  H      -2.025357      0.284447      5.356402
  H      -0.267447      2.775302      5.096887
  H      -0.136192      1.487727      6.324895
  H      -0.822854      6.135397      6.314486
  H      -0.478468      4.889322      5.111854
  H      -1.667303      4.480341      7.911308
  H      -0.059371      3.904265      7.378093
  H      -4.247673      1.919797      8.665098
  H      -3.574043      3.559146      8.691602
  H      -2.523611      1.063437      7.262795
  H      -1.678770      2.008532      8.521023
  C      -3.537464      1.171914      3.238559
  C      -4.253185     -0.060961      3.828321
  C      -5.588580     -0.384683      3.124472
  C      -5.512555     -0.443351      1.624952
  N      -6.049727      0.579655      0.957367
  C      -5.949026      0.562339     -0.395711
  N      -5.373847     -0.350820     -1.157097
  C      -4.835394     -1.423352     -0.497442
  C      -4.220495     -2.456056     -1.245125
  C      -3.683429     -3.555664     -0.602077
  C      -3.744842     -3.665279      0.805054
  C      -4.335426     -2.668799      1.559467
  C      -4.887122     -1.524310      0.929627
  C      -3.263573      6.476272      5.790478
  C      -3.271622      7.559821      4.701916
  C      -4.264920      7.272343      3.575330
  C      -5.715679      7.328679      3.989366
  N      -6.018618      7.789012      5.200292
  C      -7.317371      7.736615      5.589008
  N      -8.340028      7.222536      4.929336
  C      -8.064451      6.768388      3.668316
  C      -9.105058      6.191022      2.899412
  C      -8.854760      5.740810      1.617751
  C      -7.568053      5.872949      1.049178
  C      -6.530162      6.423513      1.782774
  C      -6.747507      6.855854      3.115551
  C      -5.943739      2.901293      6.969029
  C      -6.661932      4.235809      6.751853
  C      -8.189690      4.158383      6.838004
  C      -8.925914      3.620334      5.636301
  N      -8.265016      2.892616      4.718836
  C      -8.965813      2.413538      3.658175
  N     -10.250131      2.560593      3.404832
  C     -10.954641      3.316705      4.311832
  C     -12.328308      3.547078      4.085946
  C     -13.070497      4.307268      4.978622
  C     -12.456872      4.854413      6.121965
  C     -11.108678      4.646998      6.366247
  C     -10.321797      3.878800      5.469530
  H      -2.873177      0.857633      2.408721
  H      -4.293209      1.839910      2.806048
  H      -4.484992      0.151770      4.885171
  H      -3.589670     -0.938846      3.816717
  H      -5.975611     -1.338824      3.517354
  H      -6.318586      0.397487      3.373763
  H      -6.400540      1.417369     -0.909912
  H      -4.193517     -2.354769     -2.331047
  H      -3.213073     -4.350721     -1.183410
  H      -3.325816     -4.544837      1.296709
  H      -4.386694     -2.764622      2.644634
  H      -4.303079      6.235356      6.052493
  H      -2.817578      6.899032      6.710402
  H      -2.260153      7.653314      4.275816
  H      -3.522223      8.523573      5.170133
  H      -4.111727      7.979494      2.740650
  H      -4.064624      6.271188      3.155819
  H      -7.528958      8.148441      6.581597
  H     -10.094342      6.111799      3.351855
  H      -9.656456      5.281222      1.037725
  H      -7.389670      5.528196      0.029490
  H      -5.537125      6.511994      1.340298
  H      -6.197990      2.519857      7.974149
  H      -6.326745      2.166662      6.242884
  H      -6.307101      4.949470      7.513395
  H      -6.361236      4.648370      5.779279
  H      -8.483405      3.565976      7.726371
  H      -8.573701      5.171828      7.030557
  H      -8.373883      1.846263      2.928815
  H     -12.778113      3.109500      3.193332
  H     -14.132203      4.482208      4.796707
  H     -13.047500      5.449889      6.820407
  H     -10.650693      5.083898      7.253337
  N      -4.838864      3.809235      4.068753
  N      -5.914210      3.601046      3.337483
  H      -6.739359      3.243542      3.895882
  H      -6.171747      4.375568      2.716086
99
Coordinates from ORCA-job orca E -6259.105030888139
  N      -2.757441      1.943702      4.219292
  Mo     -3.503727      3.505176      5.231297
  N      -4.483630      2.987608      6.849969
  C      -3.717940      2.652374      8.052241
  C      -2.364709      2.067884      7.657655
  N      -1.752277      2.872548      6.569065
  C      -0.842405      2.070501      5.716209
  C      -1.658682      1.180138      4.796405
  C      -1.098664      4.114634      7.060387
  C      -1.174754      5.162451      5.950901
  N      -2.550822      5.244637      5.471099
  H      -0.999501      0.788470      3.997091
  H      -2.028075      0.291430      5.347716
  H      -0.256987      2.778341      5.113645
  H      -0.139489      1.483001      6.334346
  H      -0.833365      6.136188      6.341636
  H      -0.483122      4.898253      5.130953
  H      -1.674628      4.471405      7.925800
  H      -0.064703      3.902492      7.390833
  H      -4.252474      1.903603      8.662680
  H      -3.582193      3.544235      8.695808
  H      -2.524129      1.056358      7.259869
  H      -1.682490      1.996757      8.523787
  C      -3.516308      1.197894      3.220649
  C      -4.268794     -0.016509      3.804616
  C      -5.598397     -0.312244      3.078761
  C      -5.495040     -0.393147      1.582147
  N      -5.988047      0.636087      0.890350
  C      -5.863171      0.596094     -0.459947
  N      -5.302531     -0.345315     -1.197839
  C      -4.809209     -1.423893     -0.513330
  C      -4.212921     -2.486047     -1.234649
  C      -3.721637     -3.591950     -0.566373
  C      -3.811398     -3.678622      0.840773
  C      -4.384585     -2.653528      1.569971
  C      -4.889916     -1.502372      0.913856
  C      -3.267045      6.483408      5.796003
  C      -3.272277      7.558115      4.698130
  C      -4.260460      7.261786      3.569314
  C      -5.713580      7.317810      3.974734
  N      -6.026130      7.778596      5.183452
  C      -7.327079      7.722369      5.563537
  N      -8.343216      7.201352      4.899025
  C      -8.057843      6.747051      3.640111
  C      -9.089753      6.162176      2.865431
  C      -8.829076      5.712638      1.585324
  C      -7.540042      5.851877      1.024172
  C      -6.509941      6.409096      1.764083
  C      -6.738459      6.841195      3.094999
  C      -5.946720      2.896731      6.967458
  C      -6.659215      4.235081      6.755062
  C      -8.186609      4.163120      6.849288
  C      -8.929399      3.626260      5.650839
  N      -8.270944      2.907907      4.724346
  C      -8.977273      2.431815      3.666289
  N     -10.265081      2.568897      3.425339
  C     -10.968278      3.311457      4.344683
  C     -12.347196      3.526938      4.136399
  C     -13.087353      4.272641      5.042985
  C     -12.466826      4.820971      6.181954
  C     -11.113163      4.628554      6.408655
  C     -10.328824      3.873925      5.498409
  H      -2.839603      0.863008      2.409486
  H      -4.247941      1.878181      2.767933
  H      -4.513814      0.206163      4.856341
  H      -3.624074     -0.908487      3.808020
  H      -6.019849     -1.250445      3.474690
  H      -6.310708      0.492752      3.304691
  H      -6.278836      1.457318     -0.994053
  H      -4.163342     -2.401976     -2.321240
  H      -3.265714     -4.409478     -1.127714
  H      -3.428168     -4.562948      1.352634
  H      -4.457590     -2.731313      2.655276
  H      -4.307189      6.247580      6.058965
  H      -2.820125      6.913036      6.712216
  H      -2.259000      7.649542      4.275873
  H      -3.525590      8.524919      5.158345
  H      -4.103377      7.962636      2.730162
  H      -4.057382      6.257627      3.158261
  H      -7.546110      8.134711      6.554369
  H     -10.081033      6.076489      3.312231
  H      -9.624406      5.247600      1.000898
  H      -7.353432      5.507471      0.005848
  H      -5.514423      6.502227      1.328117
  H      -6.203653      2.510758      7.970069
  H      -6.332293      2.168153      6.236694
  H      -6.296486      4.946836      7.514672
  H      -6.362755      4.646732      5.780814
  H      -8.477411      3.570991      7.738838
  H      -8.567766      5.177108      7.045115
  H      -8.387936      1.874899      2.926969
  H     -12.802478      3.089445      3.246524
  H     -14.153367      4.435293      4.875082
  H     -13.056085      5.405327      6.890900
  H     -10.649198      5.065583      7.292608
  N      -4.838906      3.809859      4.077058
  N      -5.914472      3.605036      3.345705
  H      -6.744102      3.259030      3.904017
  H      -6.163908      4.372642      2.712920
99
Coordinates from ORCA-job orca E -6259.105265001454
  N      -2.742992      1.959073      4.212311
  Mo     -3.504244      3.505744      5.236263
  N      -4.486139      2.976527      6.850036
  C      -3.723221      2.642999      8.054094
  C      -2.368166      2.061505      7.661899
  N      -1.754210      2.869274      6.576489
  C      -0.840847      2.069462      5.724416
  C      -1.654881      1.185755      4.795951
  C      -1.104231      4.111414      7.072512
  C      -1.181782      5.164320      5.967763
  N      -2.558035      5.246704      5.487394
  H      -0.992510      0.792804      3.999907
  H      -2.033392      0.297296      5.341280
  H      -0.250909      2.779293      5.128691
  H      -0.142727      1.477892      6.343999
  H      -0.843448      6.136542      6.364871
  H      -0.488395      4.905646      5.147448
  H      -1.681678      4.463633      7.938817
  H      -0.069897      3.901161      7.402869
  H      -4.257980      1.893007      8.662950
  H      -3.591159      3.535138      8.698129
  H      -2.525500      1.050553      7.261790
  H      -1.688001      1.989092      8.529492
  C      -3.494113      1.221288      3.201652
  C      -4.283308      0.025629      3.777306
  C      -5.607731     -0.243604      3.031413
  C      -5.479556     -0.347983      1.538354
  N      -5.933678      0.682528      0.822658
  C      -5.787259      0.618512     -0.524526
  N      -5.239162     -0.348395     -1.238516
  C      -4.785223     -1.428150     -0.529459
  C      -4.204271     -2.516406     -1.224163
  C      -3.752652     -3.623682     -0.530924
  C      -3.867943     -3.686083      0.875711
  C      -4.426846     -2.635612      1.579355
  C      -4.891787     -1.482561      0.897193
  C      -3.270677      6.489969      5.800427
  C      -3.271778      7.557484      4.695126
  C      -4.255137      7.254730      3.563971
  C      -5.709889      7.310649      3.962460
  N      -6.028989      7.771206      5.169641
  C      -7.331149      7.710139      5.544652
  N      -8.342530      7.183179      4.877346
  C      -8.050524      6.729322      3.619819
  C      -9.075462      6.135606      2.842743
  C      -8.807753      5.686880      1.563729
  C      -7.518358      5.835141      1.005752
  C      -6.494339      6.399870      1.748636
  C      -6.730047      6.830852      3.078696
  C      -5.949762      2.891513      6.967521
  C      -6.657201      4.233158      6.757674
  C      -8.184565      4.167614      6.857043
  C      -8.933432      3.630230      5.662951
  N      -8.278066      2.919768      4.728350
  C      -8.990915      2.442770      3.675297
  N     -10.281691      2.571785      3.446134
  C     -10.982211      3.305111      4.374913
  C     -12.365038      3.509339      4.181816
  C     -13.101859      4.244645      5.099574
  C     -12.474430      4.794169      6.234030
  C     -11.116702      4.612955      6.445661
  C     -10.335987      3.868276      5.524306
  H      -2.806634      0.866408      2.408425
  H      -4.201202      1.913533      2.729716
  H      -4.539538      0.257935      4.824196
  H      -3.658828     -0.880495      3.794071
  H      -6.062081     -1.164546      3.431322
  H      -6.300555      0.584022      3.234574
  H      -6.171771      1.481924     -1.078183
  H      -4.134321     -2.450979     -2.310940
  H      -3.308616     -4.461071     -1.072133
  H      -3.515868     -4.571621      1.407470
  H      -4.519369     -2.694627      2.664336
  H      -4.311896      6.259315      6.063571
  H      -2.823473      6.924980      6.713924
  H      -2.256678      7.646617      4.276701
  H      -3.526935      8.527106      5.148581
  H      -4.094549      7.950672      2.721465
  H      -4.050358      6.248273      3.159204
  H      -7.555391      8.124164      6.533587
  H     -10.067233      6.041364      3.286922
  H      -9.598002      5.215009      0.977867
  H      -7.326391      5.491232     -0.011722
  H      -5.497792      6.498350      1.316277
  H      -6.208054      2.504314      7.969314
  H      -6.337923      2.166195      6.234894
  H      -6.288573      4.943789      7.515434
  H      -6.363689      4.643197      5.781913
  H      -8.474394      3.577909      7.748588
  H      -8.561836      5.183269      7.052392
  H      -8.405476      1.893773      2.927215
  H     -12.825918      3.071476      3.295028
  H     -14.171085      4.397980      4.943662
  H     -13.061285      5.370291      6.951628
  H     -10.646963      5.050459      7.326337
  N      -4.837956      3.806400      4.081515
  N      -5.914101      3.601447      3.350568
  H      -6.748112      3.268793      3.910866
  H      -6.153256      4.361171      2.704748
99
Coordinates from ORCA-job orca E -6259.105492327390
  N      -2.734943      1.970052      4.206658
  Mo     -3.508775      3.503852      5.240344
  N      -4.491202      2.965230      6.850824
  C      -3.730152      2.632946      8.055863
  C      -2.373676      2.054778      7.665174
  N      -1.759510      2.865082      6.582284
  C      -0.843349      2.067129      5.730658
  C      -1.655728      1.188585      4.795809
  C      -1.112370      4.106980      7.081490
  C      -1.191510      5.163664      5.980478
  N      -2.568350      5.246233      5.501070
  H      -0.990996      0.793375      4.002954
  H      -2.042891      0.301304      5.336879
  H      -0.251497      2.779073      5.139347
  H      -0.148312      1.473626      6.351598
  H      -0.854989      6.134622      6.382108
  H      -0.497564      4.909213      5.159212
  H      -1.690654      4.455565      7.948736
  H      -0.077542      3.898591      7.411446
  H      -4.264883      1.882029      8.663569
  H      -3.600992      3.525418      8.700235
  H      -2.528383      1.043964      7.263569
  H      -1.694754      1.982195      8.533702
  C      -3.477219      1.239638      3.184160
  C      -4.297921      0.060627      3.749816
  C      -5.615036     -0.186996      2.982720
  C      -5.461710     -0.312673      1.493799
  N      -5.879723      0.718375      0.757438
  C      -5.710461      0.634744     -0.586010
  N      -5.170630     -0.352393     -1.278118
  C      -4.752885     -1.432572     -0.547924
  C      -4.182474     -2.541299     -1.218767
  C      -3.767265     -3.649147     -0.504185
  C      -3.909995     -3.692164      0.900714
  C      -4.459342     -2.621718      1.581364
  C      -4.886698     -1.467529      0.877078
  C      -3.276140      6.494341      5.803492
  C      -3.271705      7.555426      4.691710
  C      -4.249859      7.248211      3.557461
  C      -5.706453      7.305086      3.948131
  N      -6.032277      7.769346      5.152193
  C      -7.335794      7.705772      5.521595
  N      -8.342304      7.171291      4.852662
  C      -8.043327      6.713667      3.598164
  C      -9.061466      6.109822      2.820064
  C      -8.786387      5.657368      1.543828
  C      -7.496283      5.811923      0.989216
  C      -6.478407      6.385893      1.733569
  C      -6.721439      6.820048      3.061230
  C      -5.955397      2.888036      6.970498
  C      -6.655838      4.234000      6.764783
  C      -8.183065      4.177261      6.869747
  C      -8.938854      3.639076      5.680792
  N      -8.287196      2.935614      4.738240
  C      -9.006613      2.455892      3.691225
  N     -10.300531      2.576144      3.474765
  C     -10.997417      3.303292      4.411262
  C     -12.383357      3.498592      4.231973
  C     -13.116016      4.227010      5.158651
  C     -12.481475      4.778313      6.288180
  C     -11.120495      4.605803      6.486351
  C     -10.344050      3.868355      5.555607
  H      -2.780355      0.867443      2.407471
  H      -4.161318      1.941997      2.694874
  H      -4.566106      0.301040      4.791812
  H      -3.691028     -0.857012      3.779058
  H      -6.098504     -1.091564      3.385608
  H      -6.289622      0.660676      3.162679
  H      -6.066028      1.499728     -1.156568
  H      -4.091009     -2.490935     -2.304764
  H      -3.331296     -4.502129     -1.027303
  H      -3.586925     -4.578521      1.449266
  H      -4.573275     -2.666222      2.664964
  H      -4.318618      6.269458      6.066512
  H      -2.828494      6.934054      6.714491
  H      -2.254675      7.642141      4.277471
  H      -3.528156      8.527474      5.139263
  H      -4.084393      7.940042      2.712519
  H      -4.043984      6.239853      3.157828
  H      -7.565436      8.123483      6.507742
  H     -10.054123      6.009640      3.261037
  H      -9.571679      5.177488      0.957785
  H      -7.298965      5.465092     -0.026240
  H      -5.480638      6.488185      1.304858
  H      -6.213750      2.500816      7.972195
  H      -6.348019      2.165898      6.237288
  H      -6.280273      4.942108      7.521369
  H      -6.365047      4.643365      5.787921
  H      -8.473371      3.591904      7.764012
  H      -8.554365      5.195713      7.062784
  H      -8.425895      1.910972      2.936484
  H     -12.850122      3.059559      3.348831
  H     -14.187765      4.373257      5.013415
  H     -13.065317      5.348671      7.012824
  H     -10.644928      5.044287      7.363424
  N      -4.843031      3.801447      4.086576
  N      -5.921134      3.598929      3.358218
  H      -6.759603      3.280963      3.921872
  H      -6.148695      4.349429      2.697966
99
Coordinates from ORCA-job orca E -6259.105706178911
  N      -2.734974      1.975047      4.202365
  Mo     -3.519489      3.497024      5.244644
  N      -4.499676      2.951111      6.854632
  C      -3.738428      2.620371      8.059547
  C      -2.381050      2.045765      7.668296
  N      -1.768840      2.858463      6.586762
  C      -0.850648      2.062818      5.734835
  C      -1.661160      1.188133      4.794713
  C      -1.124795      4.100952      7.087366
  C      -1.206764      5.159692      5.988456
  N      -2.584965      5.241749      5.511236
  H      -0.994352      0.792465      4.004063
  H      -2.054735      0.301151      5.331680
  H      -0.259165      2.777286      5.146140
  H      -0.156916      1.469058      6.356663
  H      -0.871016      6.130279      6.391576
  H      -0.513244      4.907700      5.165944
  H      -1.703747      4.446865      7.955269
  H      -0.089272      3.895291      7.416950
  H      -4.271919      1.868575      8.667219
  H      -3.611312      3.513338      8.703887
  H      -2.532877      1.034704      7.266039
  H      -1.702024      1.973924      8.536899
  C      -3.466783      1.250389      3.168108
  C      -4.308218      0.081701      3.723366
  C      -5.616970     -0.155136      2.937675
  C      -5.440806     -0.295196      1.452680
  N      -5.832386      0.735668      0.701836
  C      -5.641743      0.640069     -0.638121
  N      -5.102949     -0.358802     -1.313669
  C      -4.711103     -1.438476     -0.568677
  C      -4.142538     -2.558652     -1.221875
  C      -3.753131     -3.666157     -0.492439
  C      -3.921020     -3.697696      0.910042
  C      -4.469157     -2.615930      1.573562
  C      -4.869840     -1.461823      0.853971
  C      -3.287298      6.494945      5.803066
  C      -3.274184      7.550715      4.686261
  C      -4.246351      7.241594      3.547676
  C      -5.704757      7.299143      3.931084
  N      -6.035733      7.766142      5.132737
  C      -7.340256      7.701189      5.497808
  N      -8.343244      7.161896      4.827193
  C      -8.038884      6.701483      3.575128
  C      -9.052157      6.090750      2.796105
  C      -8.771883      5.636382      1.521641
  C      -7.481152      5.795273      0.969567
  C      -6.467486      6.374947      1.715344
  C      -6.715712      6.810915      3.041410
  C      -5.964501      2.885082      6.979672
  C      -6.654315      4.237068      6.777535
  C      -8.181408      4.194664      6.888737
  C      -8.945781      3.653981      5.706761
  N      -8.300116      2.951371      4.759366
  C      -9.026855      2.465649      3.720711
  N     -10.323171      2.581286      3.515421
  C     -11.013918      3.310330      4.455156
  C     -12.401528      3.502777      4.286726
  C     -13.127767      4.232659      5.217446
  C     -12.485064      4.787800      6.340348
  C     -11.122258      4.617869      6.528132
  C     -10.352323      3.879543      5.592732
  H      -2.760890      0.866548      2.405554
  H      -4.132869      1.959012      2.664219
  H      -4.587937      0.326622      4.761248
  H      -3.711943     -0.842527      3.762277
  H      -6.119255     -1.048555      3.342031
  H      -6.279734      0.705530      3.098298
  H      -5.976960      1.505164     -1.220617
  H      -4.031477     -2.517300     -2.306434
  H      -3.318410     -4.527881     -1.002096
  H      -3.618558     -4.584163      1.470068
  H      -4.602758     -2.652173      2.655221
  H      -4.331777      6.276653      6.063716
  H      -2.840513      6.937951      6.712900
  H      -2.254623      7.634277      4.277511
  H      -3.531332      8.525040      5.128595
  H      -4.075701      7.931525      2.702173
  H      -4.039407      6.232505      3.150254
  H      -7.574177      8.122236      6.481523
  H     -10.045686      5.986507      3.234302
  H      -9.553862      5.151303      0.935423
  H      -7.280184      5.446686     -0.044561
  H      -5.468678      6.479573      1.289632
  H      -6.221688      2.500520      7.982674
  H      -6.364850      2.165658      6.248164
  H      -6.269254      4.942028      7.532206
  H      -6.365763      4.644509      5.799154
  H      -8.474803      3.618362      7.787832
  H      -8.542777      5.218191      7.075074
  H      -8.451758      1.920125      2.962004
  H     -12.875099      3.060707      3.408775
  H     -14.200827      4.377026      5.080350
  H     -13.064113      5.359007      7.068134
  H     -10.640009      5.059117      7.400145
  N      -4.856740      3.791070      4.093814
  N      -5.938441      3.592822      3.370290
  H      -6.781369      3.291634      3.938458
  H      -6.152126      4.332220      2.693310
99
Coordinates from ORCA-job orca E -6259.105913057072
  N      -2.739278      1.975478      4.199400
  Mo     -3.528188      3.491671      5.246133
  N      -4.508810      2.942413      6.855637
  C      -3.747839      2.619260      8.062581
  C      -2.390896      2.042964      7.673929
  N      -1.778945      2.852528      6.590732
  C      -0.860503      2.055402      5.739860
  C      -1.669818      1.184329      4.795259
  C      -1.134337      4.095931      7.088977
  C      -1.217405      5.154657      5.989390
  N      -2.596967      5.237857      5.514756
  H      -1.001110      0.787151      4.007183
  H      -2.069399      0.298393      5.329579
  H      -0.267252      2.769567      5.152517
  H      -0.168948      1.460607      6.362998
  H      -0.879902      6.125234      6.391039
  H      -0.525438      4.901656      5.165796
  H      -1.712317      4.442866      7.957120
  H      -0.098539      3.890837      7.418055
  H      -4.280985      1.870304      8.674092
  H      -3.621434      3.515629      8.702408
  H      -2.542153      1.030475      7.275025
  H      -1.712196      1.973984      8.543093
  C      -3.462195      1.257390      3.154098
  C      -4.318650      0.094074      3.696543
  C      -5.616311     -0.136666      2.890776
  C      -5.414727     -0.283244      1.409644
  N      -5.780827      0.750004      0.649325
  C      -5.565170      0.649545     -0.686663
  N      -5.023053     -0.355922     -1.349448
  C      -4.656376     -1.437699     -0.594754
  C      -4.085398     -2.564349     -1.234512
  C      -3.721032     -3.673928     -0.495301
  C      -3.917204     -3.701098      0.903621
  C      -4.468285     -2.612851      1.554009
  C      -4.843536     -1.456617      0.824409
  C      -3.294969      6.494666      5.799093
  C      -3.279020      7.544102      4.676619
  C      -4.249957      7.228352      3.538929
  C      -5.708742      7.283838      3.921760
  N      -6.041217      7.760190      5.119316
  C      -7.344979      7.691527      5.486332
  N      -8.345197      7.138905      4.822290
  C      -8.039215      6.668335      3.574497
  C      -9.049035      6.042078      2.803331
  C      -8.767553      5.578247      1.532501
  C      -7.479020      5.741856      0.976525
  C      -6.468395      6.335932      1.715021
  C      -6.717559      6.782029      3.037534
  C      -5.974231      2.887611      6.984804
  C      -6.652704      4.245531      6.783561
  C      -8.179802      4.220231      6.900335
  C      -8.955066      3.677016      5.726543
  N      -8.319916      2.966476      4.778010
  C      -9.056658      2.475186      3.749405
  N     -10.354386      2.593222      3.554285
  C     -11.034272      3.333284      4.493350
  C     -12.422056      3.531480      4.333955
  C     -13.137597      4.272501      5.264263
  C     -12.483638      4.832830      6.378006
  C     -11.120410      4.657083      6.557080
  C     -10.361310      3.907897      5.621567
  H      -2.748459      0.868139      2.401682
  H      -4.115921      1.971015      2.639780
  H      -4.612402      0.340128      4.730258
  H      -3.728327     -0.833659      3.743692
  H      -6.131128     -1.024500      3.291339
  H      -6.274139      0.730638      3.036035
  H      -5.880299      1.516547     -1.277322
  H      -3.952301     -2.526206     -2.316691
  H      -3.284170     -4.540669     -0.994527
  H      -3.634328     -4.589296      1.471080
  H      -4.623877     -2.645895      2.632861
  H      -4.340107      6.280746      6.060244
  H      -2.847411      6.941745      6.706627
  H      -2.258911      7.625447      4.268683
  H      -3.536724      8.520892      5.113216
  H      -4.080410      7.915205      2.690659
  H      -4.040549      6.218258      3.145393
  H      -7.580721      8.121220      6.465874
  H     -10.041144      5.934250      3.243935
  H      -9.547064      5.081938      0.952423
  H      -7.277596      5.385748     -0.034892
  H      -5.471230      6.444821      1.286436
  H      -6.231111      2.507016      7.989449
  H      -6.382318      2.170032      6.255887
  H      -6.257970      4.947700      7.535841
  H      -6.364222      4.649332      5.803674
  H      -8.477264      3.656079      7.805690
  H      -8.528860      5.249794      7.077841
  H      -8.489799      1.920501      2.991237
  H     -12.904747      3.085096      3.463198
  H     -14.210813      4.421697      5.133916
  H     -13.054422      5.412712      7.105463
  H     -10.629071      5.102411      7.421934
  N      -4.873352      3.781261      4.102955
  N      -5.960552      3.586618      3.387265
  H      -6.805631      3.302474      3.962036
  H      -6.162792      4.317238      2.697634
99
Coordinates from ORCA-job orca E -6259.106084219036
  N      -2.756406      1.962474      4.207192
  Mo     -3.540531      3.481368      5.252551
  N      -4.519314      2.935816      6.865898
  C      -3.756182      2.626946      8.075229
  C      -2.402287      2.043560      7.689717
  N      -1.792463      2.843529      6.599746
  C      -0.877259      2.040440      5.750497
  C      -1.687839      1.170495      4.805969
  C      -1.142814      4.088560      7.089037
  C      -1.226293      5.142273      5.983758
  N      -2.607782      5.228211      5.513481
  H      -1.018948      0.769247      4.020409
  H      -2.091837      0.287544      5.342130
  H      -0.282526      2.750856      5.159983
  H      -0.186569      1.445771      6.374712
  H      -0.882859      6.114078      6.377314
  H      -0.538451      4.881897      5.158953
  H      -1.716990      4.442116      7.956993
  H      -0.106823      3.882075      7.416553
  H      -4.288313      1.884915      8.696090
  H      -3.627706      3.529802      8.705376
  H      -2.555677      1.028000      7.299561
  H      -1.722078      1.980868      8.558259
  C      -3.472526      1.250079      3.153239
  C      -4.336447      0.086895      3.682218
  C      -5.622634     -0.142433      2.858633
  C      -5.397238     -0.281937      1.380143
  N      -5.743341      0.758885      0.620548
  C      -5.502170      0.666364     -0.712000
  N      -4.951545     -0.336824     -1.371049
  C      -4.604726     -1.425757     -0.617059
  C      -4.025815     -2.550032     -1.253577
  C      -3.681133     -3.666504     -0.515055
  C      -3.905387     -3.702678      0.879408
  C      -4.464720     -2.616523      1.526343
  C      -4.820258     -1.453582      0.797699
  C      -3.298752      6.490874      5.786481
  C      -3.266710      7.534449      4.659406
  C      -4.231065      7.220790      3.515359
  C      -5.692820      7.291541      3.885999
  N      -6.030024      7.781742      5.076461
  C      -7.337677      7.732273      5.432424
  N      -8.338879      7.188144      4.762856
  C      -8.027709      6.704806      3.521422
  C      -9.039886      6.089073      2.744798
  C      -8.753525      5.612764      1.479736
  C      -7.456889      5.751792      0.935870
  C      -6.444345      6.335509      1.679816
  C      -6.699287      6.795225      2.996537
  C      -5.984815      2.887013      7.002148
  C      -6.659807      4.247778      6.807227
  C      -8.186267      4.229477      6.933142
  C      -8.970368      3.673679      5.770818
  N      -8.342139      2.953675      4.824943
  C      -9.085960      2.444886      3.810386
  N     -10.386215      2.553521      3.626902
  C     -11.059090      3.306770      4.560620
  C     -12.448313      3.500690      4.409633
  C     -13.157673      4.255427      5.333755
  C     -12.495433      4.833310      6.433606
  C     -11.130744      4.661554      6.604656
  C     -10.377840      3.899719      5.674529
  H      -2.751725      0.861721      2.407009
  H      -4.120807      1.965935      2.631344
  H      -4.644025      0.330009      4.712613
  H      -3.746955     -0.841263      3.734084
  H      -6.140703     -1.032282      3.250126
  H      -6.283371      0.724347      2.996476
  H      -5.801038      1.538640     -1.303024
  H      -3.870977     -2.504409     -2.332522
  H      -3.237745     -4.531640     -1.011339
  H      -3.637633     -4.596165      1.445866
  H      -4.642222     -2.656370      2.601651
  H      -4.346946      6.285552      6.041257
  H      -2.854201      6.939882      6.694689
  H      -2.243010      7.606952      4.258799
  H      -3.520793      8.515125      5.089253
  H      -4.049280      7.903803      2.666424
  H      -4.025960      6.208131      3.126529
  H      -7.576961      8.169739      6.407469
  H     -10.038076      6.001075      3.175788
  H      -9.535290      5.125403      0.895154
  H      -7.251448      5.385482     -0.071091
  H      -5.441638      6.426163      1.260219
  H      -6.237093      2.507328      8.008409
  H      -6.399744      2.170375      6.276283
  H      -6.258103      4.946980      7.558684
  H      -6.375316      4.653018      5.826839
  H      -8.481901      3.678885      7.847224
  H      -8.529712      5.263066      7.098751
  H      -8.522850      1.878745      3.057952
  H     -12.937629      3.040405      3.549873
  H     -14.231925      4.402043      5.209497
  H     -13.061373      5.423919      7.156251
  H     -10.632770      5.120661      7.458475
  N      -4.898375      3.765673      4.120909
  N      -5.993265      3.576130      3.416060
  H      -6.838971      3.305547      3.997422
  H      -6.184514      4.302823      2.719189
99
Coordinates from ORCA-job orca E -6259.105910230305
  N      -2.751984      1.952878      4.208619
  Mo     -3.553060      3.460015      5.257202
  N      -4.528157      2.904481      6.870726
  C      -3.761323      2.610988      8.081937
  C      -2.404143      2.035028      7.699414
  N      -1.802342      2.837446      6.607110
  C      -0.879503      2.040803      5.759797
  C      -1.681845      1.166319      4.812446
  C      -1.163049      4.089812      7.093616
  C      -1.255231      5.140536      5.986168
  N      -2.637363      5.215775      5.515908
  H      -1.007694      0.768654      4.029672
  H      -2.082982      0.281165      5.347519
  H      -0.285570      2.754192      5.171965
  H      -0.187260      1.448838      6.384968
  H      -0.918941      6.115633      6.377820
  H      -0.565463      4.883486      5.161894
  H      -1.739579      4.440656      7.961010
  H      -0.125413      3.892104      7.420764
  H      -4.287259      1.869139      8.708597
  H      -3.638814      3.518724      8.705863
  H      -2.550489      1.017258      7.312265
  H      -1.722923      1.980232      8.567586
  C      -3.456602      1.242587      3.145948
  C      -4.331050      0.080864      3.661180
  C      -5.605055     -0.140260      2.818254
  C      -5.354102     -0.278327      1.343662
  N      -5.673011      0.768023      0.579408
  C      -5.407377      0.673797     -0.748330
  N      -4.856831     -0.335465     -1.398554
  C      -4.537757     -1.429567     -0.639795
  C      -3.960817     -2.560324     -1.266557
  C      -3.643664     -3.681618     -0.522906
  C      -3.893746     -3.715820      0.867121
  C      -4.451864     -2.623388      1.504592
  C      -4.780431     -1.455789      0.770479
  C      -3.334690      6.477368      5.774300
  C      -3.299635      7.513519      4.640418
  C      -4.256292      7.189775      3.492444
  C      -5.720831      7.262140      3.852577
  N      -6.067601      7.761861      5.036396
  C      -7.378260      7.716582      5.381514
  N      -8.374491      7.169019      4.707204
  C      -8.053395      6.676595      3.471859
  C      -9.059947      6.057639      2.690482
  C      -8.763569      5.572777      1.430849
  C      -7.461529      5.703944      0.898381
  C      -6.454216      6.290135      1.647656
  C      -6.720331      6.760620      2.958402
  C      -5.992628      2.866515      7.016667
  C      -6.653617      4.240574      6.865884
  C      -8.179805      4.236668      6.992904
  C      -8.968891      3.730460      5.811670
  N      -8.342764      3.056593      4.831508
  C      -9.089168      2.595341      3.796574
  N     -10.390169      2.709111      3.622597
  C     -11.061124      3.416299      4.593192
  C     -12.451664      3.612296      4.457745
  C     -13.158865      4.322353      5.418311
  C     -12.493018      4.853203      6.539489
  C     -11.126931      4.678259      6.696054
  C     -10.376691      3.960159      5.729864
  H      -2.725659      0.854792      2.409424
  H      -4.097254      1.959859      2.614554
  H      -4.652973      0.322400      4.687510
  H      -3.744734     -0.849173      3.719014
  H      -6.132957     -1.028996      3.198959
  H      -6.265331      0.728430      2.947909
  H      -5.684360      1.550023     -1.344106
  H      -3.785516     -2.515511     -2.342379
  H      -3.201659     -4.551825     -1.011510
  H      -3.646806     -4.612633      1.437725
  H      -4.648866     -2.660805      2.576618
  H      -4.383453      6.270113      6.024268
  H      -2.896330      6.934250      6.681617
  H      -2.273798      7.586818      4.245448
  H      -3.559266      8.496111      5.062338
  H      -4.070070      7.867828      2.640508
  H      -4.046754      6.175020      3.111862
  H      -7.625868      8.162746      6.350434
  H     -10.061940      5.975142      3.113620
  H      -9.541095      5.083809      0.841993
  H      -7.247411      5.329283     -0.103678
  H      -5.447095      6.372717      1.237603
  H      -6.241574      2.462099      8.014134
  H      -6.420439      2.174163      6.274941
  H      -6.242635      4.910159      7.639126
  H      -6.365137      4.674420      5.899231
  H      -8.481395      3.658679      7.887859
  H      -8.511400      5.267949      7.193975
  H      -8.525996      2.069527      3.015905
  H     -12.943691      3.189779      3.580323
  H     -14.234180      4.470786      5.306000
  H     -13.057207      5.409486      7.290220
  H     -10.625630      5.100343      7.566897
  N      -4.919468      3.725247      4.131120
  N      -6.014582      3.526405      3.428787
  H      -6.859193      3.246376      4.007163
  H      -6.207925      4.250209      2.729298
99
Coordinates from ORCA-job orca E -6259.106438587602
  N      -2.742742      1.961569      4.201406
  Mo     -3.552233      3.463910      5.250040
  N      -4.539989      2.904857      6.854935
  C      -3.782522      2.610380      8.071519
  C      -2.423385      2.032926      7.697952
  N      -1.812652      2.836332      6.611116
  C      -0.885144      2.039440      5.769144
  C      -1.682981      1.168827      4.814333
  C      -1.175320      4.086904      7.103842
  C      -1.258756      5.139929      5.998500
  N      -2.637518      5.218147      5.520139
  H      -1.003791      0.768841      4.037103
  H      -2.093027      0.285075      5.345052
  H      -0.284801      2.752786      5.187756
  H      -0.199685      1.444248      6.398518
  H      -0.924346      6.113328      6.395994
  H      -0.563770      4.884620      5.178064
  H      -1.757065      4.436518      7.968250
  H      -0.139927      3.887581      7.436909
  H      -4.314379      1.869708      8.694581
  H      -3.662662      3.518149      8.695950
  H      -2.568602      1.015897      7.308211
  H      -1.748295      1.975849      8.570688
  C      -3.438784      1.258431      3.128887
  C      -4.330741      0.105226      3.633078
  C      -5.595588     -0.106038      2.773088
  C      -5.326243     -0.258109      1.303334
  N      -5.621652      0.786445      0.527337
  C      -5.339669      0.679145     -0.795846
  N      -4.793841     -0.341927     -1.431518
  C      -4.498625     -1.434334     -0.660724
  C      -3.927866     -2.576946     -1.271553
  C      -3.634162     -3.696349     -0.515619
  C      -3.902580     -3.717054      0.871264
  C      -4.455370     -2.613161      1.493410
  C      -4.759962     -1.447123      0.746491
  C      -3.332691      6.481348      5.776650
  C      -3.293482      7.518450      4.643536
  C      -4.247344      7.193896      3.493881
  C      -5.711878      7.254643      3.854994
  N      -6.061963      7.747202      5.041082
  C      -7.370900      7.682945      5.389904
  N      -8.360700      7.119667      4.718878
  C      -8.036186      6.633366      3.481745
  C      -9.034442      5.996527      2.704216
  C      -8.734848      5.519031      1.442353
  C      -7.438267      5.675823      0.903717
  C      -6.438437      6.279121      1.649459
  C      -6.707063      6.741413      2.962621
  C      -6.005226      2.873253      6.992610
  C      -6.659675      4.248799      6.830373
  C      -8.184377      4.258744      6.976372
  C      -8.996714      3.729178      5.821395
  N      -8.395373      3.017515      4.852320
  C      -9.164509      2.535083      3.843982
  N     -10.466692      2.660557      3.687591
  C     -11.113177      3.403729      4.648046
  C     -12.503859      3.610733      4.531299
  C     -13.186487      4.355686      5.483299
  C     -12.495523      4.911507      6.576737
  C     -11.128582      4.726457      6.714360
  C     -10.403208      3.972469      5.756483
  H      -2.702252      0.864420      2.401480
  H      -4.064968      1.981677      2.590699
  H      -4.664147      0.351930      4.654482
  H      -3.753735     -0.829872      3.700888
  H      -6.139606     -0.985784      3.151919
  H      -6.246620      0.771517      2.887754
  H      -5.597715      1.554585     -1.401494
  H      -3.738092     -2.542532     -2.345331
  H      -3.196883     -4.575588     -0.992144
  H      -3.674188     -4.612525      1.451645
  H      -4.666514     -2.640152      2.563005
  H      -4.382702      6.275729      6.023305
  H      -2.896450      6.936737      6.685661
  H      -2.266657      7.593078      4.251448
  H      -3.555410      8.500331      5.065647
  H      -4.065060      7.875339      2.643811
  H      -4.031816      6.181298      3.110778
  H      -7.622838      8.128712      6.358266
  H     -10.032461      5.893469      3.132420
  H      -9.505765      5.016329      0.856346
  H      -7.222063      5.307319     -0.100189
  H      -5.435194      6.382584      1.234272
  H      -6.260076      2.475139      7.991033
  H      -6.432146      2.178820      6.252510
  H      -6.235891      4.926224      7.589643
  H      -6.378179      4.666613      5.854593
  H      -8.477596      3.706493      7.890176
  H      -8.505293      5.297430      7.156523
  H      -8.620672      1.981452      3.068442
  H     -13.015742      3.168329      3.675277
  H     -14.262139      4.512052      5.385648
  H     -13.040520      5.494986      7.320966
  H     -10.607520      5.167690      7.563875
  N      -4.911383      3.729798      4.116783
  N      -6.002902      3.532335      3.409724
  H      -6.853539      3.270695      3.988846
  H      -6.187452      4.246882      2.698781
99
Coordinates from ORCA-job orca E -6259.106326342109
  N      -2.775100      1.987960      4.191558
  Mo     -3.568350      3.480801      5.265191
  N      -4.538483      2.913089      6.877026
  C      -3.770561      2.612835      8.084747
  C      -2.417327      2.032215      7.691934
  N      -1.815379      2.837314      6.600320
  C      -0.903508      2.038959      5.742484
  C      -1.718491      1.180795      4.790287
  C      -1.166178      4.082268      7.091387
  C      -1.259478      5.142521      5.994164
  N      -2.644355      5.229778      5.534583
  H      -1.050289      0.779184      4.004434
  H      -2.132376      0.298087      5.319483
  H      -0.304967      2.752068      5.159083
  H      -0.215770      1.434900      6.360643
  H      -0.915674      6.111736      6.393969
  H      -0.576119      4.889534      5.163274
  H      -1.735029      4.429123      7.965484
  H      -0.127198      3.876911      7.409442
  H      -4.298710      1.872309      8.711163
  H      -3.640343      3.518526      8.710428
  H      -2.571104      1.017314      7.299819
  H      -1.731996      1.968450      8.556163
  C      -3.478836      1.303749      3.111812
  C      -4.391478      0.161993      3.603251
  C      -5.642573     -0.036346      2.718853
  C      -5.340233     -0.212335      1.257989
  N      -5.584753      0.830906      0.462705
  C      -5.269010      0.701162     -0.850768
  N      -4.733341     -0.341062     -1.459967
  C      -4.487939     -1.431497     -0.669352
  C      -3.928883     -2.594761     -1.251335
  C      -3.683296     -3.711730     -0.475045
  C      -3.989985     -3.709618      0.904114
  C      -4.532747     -2.585634      1.498348
  C      -4.788497     -1.421625      0.730175
  C      -3.326009      6.499325      5.794160
  C      -3.281630      7.535387      4.660455
  C      -4.230246      7.206236      3.508115
  C      -5.695867      7.254815      3.865291
  N      -6.053987      7.748070      5.048909
  C      -7.362534      7.668869      5.395598
  N      -8.343875      7.088579      4.726073
  C      -8.011130      6.600997      3.491495
  C      -8.998529      5.944822      2.716366
  C      -8.690396      5.465462      1.457076
  C      -7.395916      5.638949      0.918749
  C      -6.406001      6.261248      1.662423
  C      -6.683009      6.725748      2.973081
  C      -6.001751      2.888493      7.021827
  C      -6.647452      4.264462      6.836323
  C      -8.171761      4.282717      6.969813
  C      -8.971683      3.711858      5.826733
  N      -8.359893      2.968617      4.888325
  C      -9.121476      2.441501      3.896945
  N     -10.424010      2.551518      3.730041
  C     -11.080396      3.326743      4.657594
  C     -12.472275      3.517991      4.527886
  C     -13.164334      4.292508      5.448785
  C     -12.482441      4.894024      6.523496
  C     -11.114709      4.725000      6.673178
  C     -10.379743      3.942107      5.746508
  H      -2.747146      0.903517      2.382974
  H      -4.091519      2.040052      2.578237
  H      -4.738108      0.414207      4.618899
  H      -3.827246     -0.780028      3.680633
  H      -6.210645     -0.901678      3.095345
  H      -6.278434      0.855289      2.808636
  H      -5.486416      1.576317     -1.472606
  H      -3.708507     -2.577670     -2.319719
  H      -3.254657     -4.606732     -0.929519
  H      -3.799196     -4.603328      1.500617
  H      -4.773234     -2.594941      2.562033
  H      -4.377187      6.302676      6.043376
  H      -2.883310      6.950627      6.702057
  H      -2.253408      7.610118      4.272023
  H      -3.545653      8.517830      5.080251
  H      -4.050007      7.888698      2.658399
  H      -4.006949      6.195160      3.125088
  H      -7.622003      8.117286      6.360818
  H      -9.995181      5.827656      3.144287
  H      -9.453099      4.948011      0.873094
  H      -7.173173      5.268477     -0.083015
  H      -5.403939      6.377815      1.247919
  H      -6.257947      2.502650      8.024780
  H      -6.431165      2.188339      6.288901
  H      -6.224332      4.953278      7.585573
  H      -6.359241      4.662626      5.853797
  H      -8.473854      3.762479      7.899362
  H      -8.493045      5.327576      7.110673
  H      -8.571854      1.858565      3.147793
  H     -12.977353      3.039624      3.687324
  H     -14.240797      4.436257      5.341307
  H     -13.035085      5.500109      7.243536
  H     -10.600385      5.201102      7.507809
  N      -4.949897      3.753620      4.162214
  N      -6.060936      3.566855      3.482623
  H      -6.902595      3.347553      4.088971
  H      -6.245556      4.268788      2.759441
99
Coordinates from ORCA-job orca E -6259.106881639065
  N      -2.767367      1.977663      4.192839
  Mo     -3.577336      3.464723      5.261076
  N      -4.556368      2.893492      6.868188
  C      -3.794152      2.600771      8.081547
  C      -2.437295      2.023612      7.699945
  N      -1.832803      2.829863      6.611749
  C      -0.910647      2.034740      5.761756
  C      -1.714186      1.173683      4.802645
  C      -1.192328      4.078618      7.105356
  C      -1.281204      5.136134      6.005008
  N      -2.663098      5.218087      5.534941
  H      -1.037397      0.772843      4.023902
  H      -2.130938      0.290639      5.329203
  H      -0.309283      2.749467      5.183231
  H      -0.226026      1.432950      6.385648
  H      -0.943486      6.107371      6.405101
  H      -0.590731      4.883630      5.179822
  H      -1.768920      4.425083      7.974464
  H      -0.155007      3.877727      7.431382
  H      -4.323514      1.860687      8.707511
  H      -3.670804      3.508958      8.704905
  H      -2.584530      1.007478      7.308582
  H      -1.757281      1.964359      8.568645
  C      -3.456464      1.294485      3.103246
  C      -4.378369      0.154503      3.581222
  C      -5.617603     -0.039799      2.680230
  C      -5.294519     -0.214163      1.223851
  N      -5.522929      0.831677      0.427157
  C      -5.188091      0.702459     -0.881760
  N      -4.648029     -0.341135     -1.484796
  C      -4.419291     -1.434074     -0.692652
  C      -3.856928     -2.598849     -1.268318
  C      -3.627876     -3.718169     -0.490305
  C      -3.954761     -3.716761      0.884192
  C      -4.501286     -2.591282      1.472154
  C      -4.740613     -1.424965      0.702139
  C      -3.347723      6.488713      5.779015
  C      -3.291070      7.518524      4.640295
  C      -4.227801      7.184610      3.479419
  C      -5.697340      7.239250      3.820164
  N      -6.067324      7.744179      4.995167
  C      -7.380089      7.673527      5.326923
  N      -8.355906      7.091411      4.650900
  C      -8.010798      6.592340      3.424403
  C      -8.991982      5.934024      2.643280
  C      -8.671205      5.442818      1.391660
  C      -7.369323      5.604833      0.867872
  C      -6.385352      6.229125      1.617928
  C      -6.676038      6.706857      2.920841
  C      -6.020375      2.875228      7.015174
  C      -6.660313      4.259883      6.869994
  C      -8.183311      4.286189      7.022603
  C      -9.003578      3.751505      5.876419
  N      -8.407828      3.042072      4.902669
  C      -9.185036      2.548964      3.906073
  N     -10.490422      2.661134      3.765930
  C     -11.131516      3.403048      4.730959
  C     -12.525547      3.596460      4.631768
  C     -13.202340      4.339322      5.589467
  C     -12.502459      4.906421      6.671287
  C     -11.132170      4.734513      6.791652
  C     -10.412765      3.983292      5.827441
  H      -2.713837      0.893167      2.386208
  H      -4.059726      2.031936      2.558714
  H      -4.738666      0.406634      4.592100
  H      -3.817158     -0.788838      3.665754
  H      -6.192686     -0.904240      3.047922
  H      -6.252611      0.853296      2.762526
  H      -5.391674      1.579445     -1.505518
  H      -3.620770     -2.580882     -2.333286
  H      -3.196542     -4.614432     -0.939738
  H      -3.776567     -4.612171      1.482015
  H      -4.757258     -2.600744      2.532229
  H      -4.401289      6.293458      6.018011
  H      -2.914258      6.945311      6.688796
  H      -2.258748      7.590787      4.262346
  H      -3.558850      8.503210      5.052273
  H      -4.036758      7.862690      2.628542
  H      -4.002322      6.171306      3.103812
  H      -7.648755      8.128994      6.286091
  H      -9.994196      5.825565      3.060237
  H      -9.429308      4.924176      0.802785
  H      -7.136128      5.223886     -0.127550
  H      -5.377569      6.335900      1.215188
  H      -6.274333      2.467847      8.010175
  H      -6.457284      2.194047      6.269044
  H      -6.224556      4.925906      7.632559
  H      -6.379640      4.682438      5.895747
  H      -8.477536      3.745006      7.942626
  H      -8.494385      5.329602      7.194021
  H      -8.646171      1.994923      3.127487
  H     -13.044682      3.145558      3.784614
  H     -14.280608      4.485074      5.505370
  H     -13.043143      5.488002      7.420069
  H     -10.603597      5.183877      7.632197
  N      -4.951375      3.728466      4.146500
  N      -6.054776      3.538031      3.456110
  H      -6.904797      3.316829      4.051710
  H      -6.228835      4.235897      2.726223
99
Coordinates from ORCA-job orca E -6259.107107562737
  N      -2.778767      1.973712      4.192453
  Mo     -3.592670      3.455249      5.263829
  N      -4.569959      2.881618      6.871109
  C      -3.807207      2.595162      8.085488
  C      -2.449879      2.018637      7.704517
  N      -1.847402      2.823808      6.614072
  C      -0.925065      2.028308      5.764522
  C      -1.728371      1.167830      4.804759
  C      -1.207629      4.073758      7.105336
  C      -1.298917      5.129992      6.004450
  N      -2.681651      5.210428      5.536583
  H      -1.050595      0.765583      4.027696
  H      -2.147498      0.285875      5.331309
  H      -0.322868      2.742691      5.186438
  H      -0.241293      1.425946      6.388756
  H      -0.961886      6.101746      6.403840
  H      -0.609087      4.877959      5.178540
  H      -1.783392      4.420360      7.974892
  H      -0.169640      3.874257      7.429924
  H      -4.335742      1.857256      8.714664
  H      -3.684074      3.505974      8.705118
  H      -2.596118      1.001547      7.315263
  H      -1.768864      1.962145      8.572543
  C      -3.460771      1.297576      3.094195
  C      -4.394874      0.162025      3.557584
  C      -5.616888     -0.027528      2.632312
  C      -5.262850     -0.205487      1.183756
  N      -5.461081      0.843131      0.382588
  C      -5.097462      0.710495     -0.918205
  N      -4.555273     -0.338935     -1.509122
  C      -4.356463     -1.434451     -0.712312
  C      -3.793394     -2.605070     -1.275288
  C      -3.593778     -3.726642     -0.492429
  C      -3.951889     -3.721797      0.874280
  C      -4.500196     -2.590798      1.449829
  C      -4.709727     -1.422073      0.674730
  C      -3.362671      6.484030      5.774689
  C      -3.295967      7.513408      4.636071
  C      -4.224454      7.181296      3.468230
  C      -5.696194      7.232173      3.799927
  N      -6.075257      7.735490      4.973039
  C      -7.389196      7.657459      5.297675
  N      -8.358055      7.068943      4.616828
  C      -8.003558      6.572128      3.391937
  C      -8.975647      5.905237      2.606773
  C      -8.644724      5.414372      1.357263
  C      -7.341198      5.584056      0.840517
  C      -6.365613      6.216704      1.594880
  C      -6.666937      6.695127      2.895166
  C      -6.033604      2.876205      7.020012
  C      -6.658947      4.267939      6.875449
  C      -8.180242      4.313653      7.037818
  C      -9.015625      3.776847      5.903552
  N      -8.433721      3.064815      4.923497
  C      -9.224991      2.567022      3.940466
  N     -10.532680      2.676157      3.820042
  C     -11.160066      3.421754      4.791357
  C     -12.555830      3.612544      4.713111
  C     -13.218769      4.358770      5.677914
  C     -12.503159      4.931870      6.746147
  C     -11.130810      4.762414      6.845926
  C     -10.425515      4.007889      5.874047
  H      -2.712763      0.894441      2.383938
  H      -4.053811      2.039728      2.545150
  H      -4.772717      0.416461      4.561406
  H      -3.838876     -0.783459      3.652602
  H      -6.203988     -0.888425      2.989001
  H      -6.248125      0.869471      2.700427
  H      -5.276775      1.589903     -1.546162
  H      -3.532740     -2.589534     -2.334560
  H      -3.161646     -4.627391     -0.932037
  H      -3.796554     -4.618946      1.475854
  H      -4.780379     -2.597329      2.503750
  H      -4.418162      6.293000      6.007990
  H      -2.932182      6.939746      6.686357
  H      -2.260791      7.584926      4.265794
  H      -3.565790      8.498111      5.046490
  H      -4.028871      7.862273      2.620664
  H      -3.994708      6.169572      3.091031
  H      -7.665672      8.111253      6.255459
  H      -9.979083      5.789853      3.018896
  H      -9.395824      4.889191      0.765203
  H      -7.099366      5.201245     -0.152119
  H      -5.355522      6.326378      1.199186
  H      -6.290555      2.469918      8.014677
  H      -6.477332      2.200624      6.273167
  H      -6.210246      4.930466      7.633490
  H      -6.379084      4.684416      5.898054
  H      -8.473711      3.785204      7.965390
  H      -8.478218      5.362364      7.201457
  H      -8.696925      2.009538      3.156937
  H     -13.087443      3.157075      3.876186
  H     -14.298473      4.502462      5.609960
  H     -13.033138      5.515929      7.500654
  H     -10.589701      5.215831      7.676320
  N      -4.971343      3.713268      4.154197
  N      -6.077913      3.522677      3.469100
  H      -6.927903      3.311275      4.069835
  H      -6.249482      4.214600      2.732929
99
Coordinates from ORCA-job orca E -6259.107348163681
  N      -2.808342      1.969109      4.192850
  Mo     -3.617144      3.449638      5.266510
  N      -4.591777      2.878423      6.876025
  C      -3.828147      2.592791      8.089755
  C      -2.472735      2.012748      7.706142
  N      -1.871354      2.816382      6.612947
  C      -0.953555      2.017662      5.762191
  C      -1.761963      1.158999      4.805411
  C      -1.227004      4.064665      7.101884
  C      -1.316531      5.118733      6.000431
  N      -2.699509      5.202135      5.534581
  H      -1.086013      0.753257      4.028591
  H      -2.183344      0.279544      5.334292
  H      -0.348847      2.729297      5.183420
  H      -0.271548      1.411779      6.384977
  H      -0.977325      6.089984      6.399179
  H      -0.627905      4.864638      5.174167
  H      -1.800338      4.413587      7.972043
  H      -0.189022      3.861952      7.424216
  H      -4.358368      1.858181      8.721260
  H      -3.700230      3.504481      8.707192
  H      -2.622729      0.995956      7.317532
  H      -1.788921      1.955465      8.571699
  C      -3.486720      1.304262      3.086238
  C      -4.432513      0.171680      3.531454
  C      -5.629546     -0.016389      2.573438
  C      -5.233847     -0.195830      1.136400
  N      -5.400190      0.854934      0.330692
  C      -5.000003      0.719725     -0.958769
  N      -4.450762     -0.334490     -1.534735
  C      -4.283883     -1.432050     -0.733143
  C      -3.715128     -2.607402     -1.280324
  C      -3.546231     -3.730313     -0.492200
  C      -3.941778     -3.722273      0.864177
  C      -4.497244     -2.587108      1.424329
  C      -4.676137     -1.416922      0.643475
  C      -3.370291      6.482695      5.766093
  C      -3.285653      7.511147      4.627822
  C      -4.203525      7.184030      3.450607
  C      -5.677735      7.235581      3.769970
  N      -6.068436      7.747764      4.936114
  C      -7.384118      7.665553      5.250809
  N      -8.344974      7.065735      4.567675
  C      -7.978062      6.559502      3.349924
  C      -8.938208      5.875001      2.565342
  C      -8.592805      5.369908      1.324517
  C      -7.286003      5.540521      0.817624
  C      -6.321376      6.191003      1.571845
  C      -6.638133      6.685796      2.862495
  C      -6.054565      2.887496      7.024775
  C      -6.664417      4.287377      6.886332
  C      -8.183158      4.350080      7.059718
  C      -9.031922      3.807490      5.938569
  N      -8.460222      3.102708      4.947824
  C      -9.263217      2.598249      3.977642
  N     -10.574085      2.693640      3.881098
  C     -11.192073      3.430999      4.864932
  C     -12.591492      3.604680      4.814115
  C     -13.244394      4.342270      5.792284
  C     -12.515466      4.923998      6.846666
  C     -11.139278      4.771043      6.919488
  C     -10.444460      4.024836      5.934056
  H      -2.734726      0.903356      2.379109
  H      -4.070939      2.052581      2.538696
  H      -4.835003      0.429477      4.524636
  H      -3.880385     -0.774471      3.642038
  H      -6.228491     -0.876269      2.912384
  H      -6.260630      0.881706      2.624969
  H      -5.153260      1.601032     -1.591221
  H      -3.424911     -2.594059     -2.331921
  H      -3.109428     -4.634672     -0.919612
  H      -3.809936     -4.620306      1.470031
  H      -4.806349     -2.590313      2.470074
  H      -4.429171      6.301688      5.991239
  H      -2.941861      6.934499      6.680711
  H      -2.246280      7.577197      4.268296
  H      -3.554835      8.496893      5.035921
  H      -3.998933      7.866851      2.606603
  H      -3.971792      6.172804      3.073376
  H      -7.670736      8.126808      6.202108
  H      -9.943916      5.757217      2.971319
  H      -9.334545      4.831293      0.732679
  H      -7.031328      5.142607     -0.165805
  H      -5.307024      6.296541      1.186605
  H      -6.317334      2.475919      8.015683
  H      -6.504183      2.223040      6.271960
  H      -6.201769      4.943687      7.641293
  H      -6.386159      4.699775      5.906390
  H      -8.472228      3.833502      7.995233
  H      -8.471247      5.403041      7.215788
  H      -8.742377      2.048725      3.183407
  H     -13.133570      3.143394      3.987140
  H     -14.326958      4.472593      5.745432
  H     -13.037736      5.501266      7.611696
  H     -10.587432      5.230074      7.739764
  N      -4.996246      3.709557      4.159677
  N      -6.105606      3.525582      3.476974
  H      -6.958990      3.331757      4.081727
  H      -6.271446      4.214006      2.735959
99
Coordinates from ORCA-job orca E -6259.107575244402
  N      -2.829417      1.967316      4.188409
  Mo     -3.636874      3.443617      5.266724
  N      -4.609902      2.870992      6.876929
  C      -3.845996      2.586563      8.090264
  C      -2.491972      2.004232      7.705158
  N      -1.890793      2.807156      6.610944
  C      -0.975392      2.006844      5.758607
  C      -1.786471      1.152223      4.800188
  C      -1.243909      4.054339      7.099595
  C      -1.333336      5.109667      5.999142
  N      -2.717100      5.195028      5.534762
  H      -1.111371      0.745616      4.023085
  H      -2.210573      0.273344      5.327694
  H      -0.368447      2.717570      5.181140
  H      -0.295287      1.397460      6.380147
  H      -0.993263      6.080089      6.399087
  H      -0.645328      4.856366      5.172082
  H      -1.815690      4.403341      7.970740
  H      -0.205782      3.849877      7.420340
  H      -4.377117      1.853699      8.723111
  H      -3.715807      3.498852      8.706399
  H      -2.644357      0.987774      7.316673
  H      -1.806824      1.946004      8.569498
  C      -3.502362      1.313317      3.072127
  C      -4.457206      0.182386      3.500845
  C      -5.633420     -0.007144      2.517291
  C      -5.205343     -0.192780      1.090447
  N      -5.350922      0.854594      0.276329
  C      -4.922700      0.712037     -1.003312
  N      -4.364346     -0.346649     -1.562122
  C      -4.218077     -1.440603     -0.751758
  C      -3.640817     -2.620246     -1.280534
  C      -3.491542     -3.739328     -0.483088
  C      -3.915394     -3.723070      0.864649
  C      -4.479951     -2.583735      1.406900
  C      -4.639866     -1.417542      0.616008
  C      -3.381612      6.479656      5.761551
  C      -3.283016      7.508736      4.625335
  C      -4.190526      7.184159      3.439492
  C      -5.667395      7.233561      3.747137
  N      -6.069123      7.752433      4.906960
  C      -7.386548      7.666567      5.211997
  N      -8.339510      7.055802      4.526934
  C      -7.961102      6.542426      3.315738
  C      -8.910536      5.844061      2.530387
  C      -8.553309      5.333624      1.294622
  C      -7.245104      5.511301      0.794436
  C      -6.289875      6.174138      1.550458
  C      -6.618621      6.674375      2.836081
  C      -6.072420      2.891567      7.027688
  C      -6.670654      4.297885      6.898938
  C      -8.187199      4.374565      7.082354
  C      -9.049303      3.834931      5.970136
  N      -8.490157      3.141085      4.965210
  C      -9.305651      2.642172      4.002610
  N     -10.618278      2.732687      3.927056
  C     -11.224170      3.458488      4.926674
  C     -12.625161      3.625255      4.900263
  C     -13.265328      4.351732      5.894978
  C     -12.522286      4.929408      6.941621
  C     -11.144237      4.782740      6.990617
  C     -10.462634      4.046953      5.988567
  H      -2.746004      0.914048      2.368707
  H      -4.078537      2.068547      2.524888
  H      -4.879969      0.442965      4.484678
  H      -3.907957     -0.763851      3.624893
  H      -6.241285     -0.865034      2.845116
  H      -6.264114      0.892085      2.552577
  H      -5.058926      1.590797     -1.643068
  H      -3.328123     -2.613171     -2.325732
  H      -3.047999     -4.646982     -0.896328
  H      -3.798289     -4.618024      1.478035
  H      -4.810964     -2.580153      2.445925
  H      -4.443191      6.304856      5.978039
  H      -2.957263      6.927883      6.679854
  H      -2.240032      7.573058      4.275944
  H      -3.554137      8.494510      5.032179
  H      -3.978620      7.868825      2.598793
  H      -3.955260      6.173826      3.062174
  H      -7.682561      8.133646      6.157545
  H      -9.917725      5.720813      2.931146
  H      -9.287041      4.785474      0.701544
  H      -6.980979      5.108439     -0.184469
  H      -5.273827      6.284457      1.171176
  H      -6.337638      2.474951      8.015919
  H      -6.528349      2.236381      6.270603
  H      -6.196432      4.946857      7.653037
  H      -6.395308      4.710686      5.918546
  H      -8.473717      3.864381      8.022066
  H      -8.465298      5.430779      7.236338
  H      -8.794824      2.100894      3.196484
  H     -13.178460      3.167926      4.078568
  H     -14.349174      4.476715      5.866895
  H     -13.034746      5.498313      7.719409
  H     -10.580933      5.238298      7.805081
  N      -5.019177      3.702886      4.165547
  N      -6.131518      3.521224      3.487344
  H      -6.985290      3.346522      4.097511
  H      -6.292084      4.201372      2.737717
99
Coordinates from ORCA-job orca E -6259.107786894991
  N      -2.855159      1.963169      4.183700
  Mo     -3.659990      3.435764      5.266450
  N      -4.630007      2.862972      6.878676
  C      -3.865162      2.580127      8.091137
  C      -2.513827      1.993561      7.703742
  N      -1.912745      2.794599      6.608119
  C      -1.000486      1.991859      5.753837
  C      -1.814905      1.142502      4.793003
  C      -1.262335      4.040422      7.095896
  C      -1.352245      5.097834      5.996614
  N      -2.737376      5.185845      5.534645
  H      -1.141458      0.735630      4.014657
  H      -2.241854      0.263804      5.318262
  H      -0.391280      2.701551      5.177493
  H      -0.322463      1.378765      6.374000
  H      -1.010689      6.067227      6.397631
  H      -0.665597      4.845478      5.168117
  H      -1.831745      4.389856      7.968444
  H      -0.223998      3.833839      7.414554
  H      -4.397021      1.849588      8.726218
  H      -3.731806      3.493230      8.705405
  H      -2.670088      0.977462      7.315912
  H      -1.826988      1.933962      8.566607
  C      -3.521801      1.321688      3.056163
  C      -4.482710      0.190169      3.466791
  C      -5.636938     -0.004489      2.458413
  C      -5.179042     -0.195369      1.041408
  N      -5.311973      0.846735      0.218418
  C      -4.857690      0.698373     -1.051666
  N      -4.285043     -0.361736     -1.593088
  C      -4.151013     -1.450185     -0.773504
  C      -3.559486     -2.630969     -1.283727
  C      -3.421614     -3.744588     -0.476581
  C      -3.871031     -3.721548      0.862682
  C      -4.449976     -2.580949      1.386876
  C      -4.599259     -1.420479      0.585657
  C      -3.395767      6.473968      5.758225
  C      -3.282690      7.505000      4.625747
  C      -4.179567      7.184192      3.430750
  C      -5.659266      7.232028      3.725811
  N      -6.072229      7.759463      4.878203
  C      -7.391589      7.671841      5.172731
  N      -8.336767      7.050289      4.485899
  C      -7.946716      6.527744      3.282585
  C      -8.885829      5.816360      2.496462
  C      -8.516593      5.299833      1.266373
  C      -7.206684      5.483073      0.773265
  C      -6.260282      6.156723      1.531373
  C      -6.601048      6.662881      2.811559
  C      -6.091871      2.898560      7.034373
  C      -6.675380      4.312212      6.915527
  C      -8.189078      4.405634      7.109293
  C      -9.063459      3.863793      6.008167
  N      -8.516409      3.173220      4.995473
  C      -9.342782      2.676445      4.041245
  N     -10.656497      2.765398      3.982447
  C     -11.251019      3.485835      4.992257
  C     -12.652820      3.648432      4.985856
  C     -13.280870      4.370005      5.991702
  C     -12.525294      4.947227      7.029486
  C     -11.146182      4.804268      7.058956
  C     -10.477103      4.072887      6.045568
  H      -2.760888      0.926691      2.355173
  H      -4.091599      2.084702      2.511262
  H      -4.927205      0.453011      4.440215
  H      -3.934062     -0.754366      3.605488
  H      -6.250762     -0.861945      2.776203
  H      -6.269799      0.893974      2.477863
  H      -4.983569      1.573035     -1.698885
  H      -3.226639     -2.629223     -2.322709
  H      -2.966938     -4.653108     -0.875563
  H      -3.762389     -4.612214      1.483816
  H      -4.801235     -2.572094      2.419198
  H      -4.460178      6.304829      5.964727
  H      -2.976686      6.917436      6.681304
  H      -2.236086      7.568170      4.286986
  H      -3.555969      8.490271      5.032500
  H      -3.959391      7.871383      2.594257
  H      -3.941370      6.174972      3.052542
  H      -7.697412      8.146976      6.111059
  H      -9.894954      5.689227      2.890903
  H      -9.242743      4.742967      0.672055
  H      -6.933613      5.075893     -0.201395
  H      -5.242917      6.272826      1.157311
  H      -6.358363      2.479015      8.021159
  H      -6.557009      2.252314      6.275037
  H      -6.187958      4.953779      7.667539
  H      -6.403676      4.724404      5.934164
  H      -8.474902      3.908070      8.055777
  H      -8.455601      5.466446      7.253914
  H      -8.841747      2.136627      3.228309
  H     -13.216276      3.192056      4.170610
  H     -14.365387      4.491597      5.979093
  H     -13.028581      5.512630      7.815729
  H     -10.572718      5.259431      7.866547
  N      -5.045063      3.694893      4.170846
  N      -6.159862      3.515022      3.495877
  H      -7.013350      3.353670      4.108615
  H      -6.314976      4.188331      2.739201
99
Coordinates from ORCA-job orca E -6259.107968599942
  N      -2.871240      1.959884      4.179774
  Mo     -3.677864      3.427679      5.265867
  N      -4.646037      2.854017      6.879355
  C      -3.879999      2.573655      8.091467
  C      -2.529726      1.985490      7.702976
  N      -1.929369      2.785385      6.606360
  C      -1.017888      1.982004      5.751552
  C      -1.833145      1.135701      4.788435
  C      -1.278301      4.031133      7.092962
  C      -1.369747      5.089227      5.994373
  N      -2.755769      5.177996      5.534842
  H      -1.160079      0.729025      4.009825
  H      -2.262577      0.257012      5.311684
  H      -0.407384      2.691626      5.176381
  H      -0.341449      1.367309      6.371627
  H      -1.027758      6.058249      6.395875
  H      -0.684356      4.837700      5.164612
  H      -1.846304      4.380661      7.966369
  H      -0.239538      3.824684      7.410033
  H      -4.411333      1.844216      8.728370
  H      -3.745807      3.487648      8.704215
  H      -2.687460      0.969292      7.315903
  H      -1.841895      1.925854      8.565065
  C      -3.530265      1.328714      3.041761
  C      -4.498319      0.198605      3.435944
  C      -5.631778      0.002739      2.405151
  C      -5.146907     -0.194255      0.997883
  N      -5.261235      0.845333      0.169043
  C      -4.782263      0.692217     -1.091298
  N      -4.201210     -0.370809     -1.617918
  C      -4.085441     -1.456834     -0.792306
  C      -3.486397     -2.640461     -1.287008
  C      -3.366756     -3.751827     -0.473773
  C      -3.842710     -3.723723      0.856116
  C      -4.429586     -2.580227      1.365129
  C      -4.560314     -1.421890      0.557656
  C      -3.409989      6.468592      5.754153
  C      -3.284864      7.498479      4.622033
  C      -4.174844      7.178533      3.421750
  C      -5.656072      7.229816      3.708194
  N      -6.075170      7.769672      4.852890
  C      -7.395726      7.684277      5.141613
  N      -8.336619      7.053051      4.457291
  C      -7.940069      6.517077      3.262156
  C      -8.873458      5.793097      2.480670
  C      -8.496599      5.262012      1.258842
  C      -7.185105      5.442953      0.769390
  C      -6.243990      6.128752      1.523441
  C      -6.592283      6.649378      2.795763
  C      -6.107240      2.900324      7.038973
  C      -6.679765      4.318895      6.925148
  C      -8.191210      4.427057      7.127350
  C      -9.078534      3.888025      6.034897
  N      -8.545102      3.200323      5.013644
  C      -9.383936      2.707434      4.068345
  N     -10.698205      2.799462      4.025335
  C     -11.279316      3.516755      5.044773
  C     -12.681011      3.681065      5.056614
  C     -13.295223      4.399493      6.073086
  C     -12.526063      4.971982      7.103445
  C     -11.146803      4.827193      7.115041
  C     -10.491707      4.098868      6.090462
  H      -2.764988      0.936045      2.344369
  H      -4.092494      2.097988      2.497625
  H      -4.962576      0.464097      4.399367
  H      -3.952088     -0.745216      3.587952
  H      -6.254060     -0.852011      2.713919
  H      -6.262795      0.902864      2.409387
  H      -4.893753      1.565262     -1.743409
  H      -3.133068     -2.642761     -2.319204
  H      -2.906139     -4.662493     -0.860890
  H      -3.748424     -4.612727      1.481957
  H      -4.801830     -2.567816      2.389992
  H      -4.476512      6.304007      5.953377
  H      -2.995278      6.910306      6.680124
  H      -2.235777      7.558754      4.290519
  H      -3.558232      8.484747      5.026197
  H      -3.947761      7.864576      2.586130
  H      -3.936808      6.168397      3.046108
  H      -7.707243      8.170513      6.072389
  H      -9.884194      5.667954      2.871527
  H      -9.218341      4.695305      0.668419
  H      -6.906532      5.024572     -0.198949
  H      -5.225539      6.244237      1.152231
  H      -6.374145      2.480298      8.025484
  H      -6.578646      2.259346      6.279403
  H      -6.182379      4.955372      7.674951
  H      -6.410681      4.730309      5.942489
  H      -8.477055      3.939334      8.078732
  H      -8.446258      5.491693      7.265839
  H      -8.894441      2.169300      3.247550
  H     -13.255424      3.228539      4.246891
  H     -14.379709      4.522215      6.074681
  H     -13.018827      5.534976      7.898040
  H     -10.562628      5.278715      7.916981
  N      -5.066725      3.683276      4.175763
  N      -6.183713      3.501088      3.505035
  H      -7.036415      3.358218      4.121653
  H      -6.333876      4.159831      2.734791
99
Coordinates from ORCA-job orca E -6259.108140152287
  N      -2.891502      1.957943      4.175991
  Mo     -3.698503      3.420264      5.267676
  N      -4.661235      2.844986      6.884397
  C      -3.891112      2.565732      8.094146
  C      -2.542884      1.976327      7.701006
  N      -1.945845      2.776477      6.603223
  C      -1.036272      1.973996      5.745560
  C      -1.853455      1.130826      4.781196
  C      -1.294187      4.022223      7.088809
  C      -1.389493      5.081625      5.992074
  N      -2.776925      5.170877      5.536859
  H      -1.181951      0.725637      4.000670
  H      -2.283756      0.251482      5.302621
  H      -0.426073      2.684287      5.170828
  H      -0.359728      1.357763      6.363823
  H      -1.046637      6.050229      6.393906
  H      -0.706635      4.831514      5.159809
  H      -1.859506      4.370860      7.964289
  H      -0.254324      3.816248      7.402416
  H      -4.420228      1.836565      8.733328
  H      -3.754822      3.479888      8.706129
  H      -2.702830      0.960495      7.313779
  H      -1.852364      1.915588      8.560893
  C      -3.543551      1.338974      3.027108
  C      -4.518044      0.209069      3.402593
  C      -5.629248      0.012936      2.348714
  C      -5.115824     -0.189510      0.952242
  N      -5.209988      0.847738      0.117827
  C      -4.704826      0.689596     -1.131637
  N      -4.114848     -0.376293     -1.642365
  C      -4.019277     -1.460063     -0.811138
  C      -3.412376     -2.646476     -1.289225
  C      -3.312925     -3.755775     -0.470282
  C      -3.817492     -3.722565      0.848797
  C      -4.412475     -2.576039      1.341555
  C      -4.523003     -1.419818      0.528121
  C      -3.427589      6.463540      5.751276
  C      -3.290401      7.492398      4.619679
  C      -4.170303      7.171021      3.412422
  C      -5.653425      7.218678      3.689385
  N      -6.080845      7.766430      4.827412
  C      -7.402682      7.679632      5.108810
  N      -8.337469      7.040255      4.423401
  C      -7.932305      6.495909      3.235152
  C      -8.859564      5.764384      2.453274
  C      -8.473643      5.224397      1.238095
  C      -7.159312      5.403855      0.755671
  C      -6.224374      6.098047      1.510036
  C      -6.581870      6.627783      2.776011
  C      -6.121193      2.901568      7.051787
  C      -6.683369      4.324774      6.944407
  C      -8.192324      4.447017      7.155577
  C      -9.091328      3.907587      6.072694
  N      -8.569930      3.215093      5.049127
  C      -9.419110      2.723386      4.112583
  N     -10.733384      2.821793      4.080358
  C     -11.302451      3.544224      5.102665
  C     -12.703334      3.715302      5.125969
  C     -13.305305      4.439051      6.145821
  C     -12.524711      5.010401      7.168221
  C     -11.146107      4.858963      7.168553
  C     -10.503347      4.124962      6.140276
  H      -2.774423      0.950964      2.331469
  H      -4.099413      2.115107      2.486065
  H      -5.003219      0.475613      4.355382
  H      -3.973986     -0.733918      3.567160
  H      -6.260182     -0.839204      2.647294
  H      -6.258132      0.914630      2.337766
  H      -4.800693      1.560789     -1.788638
  H      -3.036884     -2.652685     -2.313547
  H      -2.846082     -4.668589     -0.844682
  H      -3.738846     -4.609908      1.479133
  H      -4.806863     -2.560061      2.358086
  H      -4.496148      6.302434      5.942383
  H      -3.018564      6.903897      6.680507
  H      -2.238482      7.552196      4.297306
  H      -3.566963      8.479117      5.020448
  H      -3.938682      7.858650      2.579265
  H      -3.927303      6.161875      3.037734
  H      -7.721682      8.172080      6.033716
  H      -9.872817      5.640796      2.838060
  H      -9.190537      4.651323      0.647869
  H      -6.873814      4.977942     -0.207374
  H      -5.204135      6.213512      1.143971
  H      -6.385918      2.480953      8.038638
  H      -6.600314      2.265485      6.293122
  H      -6.176272      4.956038      7.692173
  H      -6.417504      4.736444      5.960725
  H      -8.477841      3.971028      8.112705
  H      -8.436471      5.515535      7.285272
  H      -8.940021      2.178590      3.290221
  H     -13.286909      3.263686      4.322315
  H     -14.389153      4.566940      6.156377
  H     -13.008155      5.577623      7.965528
  H     -10.553135      5.309802      7.964411
  N      -5.092768      3.673557      4.184763
  N      -6.213059      3.490023      3.519396
  H      -7.064452      3.361397      4.139296
  H      -6.358820      4.136991      2.738303
99
Coordinates from ORCA-job orca E -6259.108311906199
  N      -2.911568      1.954055      4.173564
  Mo     -3.718882      3.411441      5.270220
  N      -4.676155      2.836373      6.890494
  C      -3.901799      2.558159      8.097751
  C      -2.555586      1.967367      7.699719
  N      -1.961653      2.767234      6.599993
  C      -1.054294      1.964876      5.739963
  C      -1.873934      1.124055      4.775595
  C      -1.309197      4.013254      7.083671
  C      -1.408582      5.073089      5.988299
  N      -2.797395      5.162423      5.537733
  H      -1.204235      0.719765      3.993198
  H      -2.304813      0.244479      5.296079
  H      -0.443966      2.675038      5.165228
  H      -0.377782      1.347034      6.356662
  H      -1.065011      6.041499      6.390078
  H      -0.728293      4.824104      5.153520
  H      -1.871519      4.361359      7.961259
  H      -0.268083      3.807846      7.393429
  H      -4.428880      1.829567      8.739356
  H      -3.762978      3.472589      8.708709
  H      -2.718243      0.951876      7.312692
  H      -1.862154      1.905553      8.557163
  C      -3.556947      1.347900      3.014161
  C      -4.538497      0.218431      3.370008
  C      -5.625765      0.022743      2.291784
  C      -5.082868     -0.184004      0.907227
  N      -5.156890      0.851393      0.068262
  C      -4.625472      0.688972     -1.169634
  N      -4.026750     -0.379451     -1.664832
  C      -3.951776     -1.461539     -0.829153
  C      -3.337549     -2.650510     -1.291121
  C      -3.258793     -3.758287     -0.467698
  C      -3.791708     -3.720600      0.839965
  C      -4.394221     -2.571284      1.317027
  C      -4.484390     -1.416763      0.498706
  C      -3.443509      6.457964      5.746397
  C      -3.293884      7.485011      4.614600
  C      -4.165659      7.164011      3.401296
  C      -5.650557      7.213292      3.669063
  N      -6.085148      7.775800      4.797412
  C      -7.408461      7.691878      5.071915
  N      -8.338674      7.043175      4.388856
  C      -7.925905      6.483133      3.210645
  C      -8.847980      5.739907      2.433571
  C      -8.453657      5.181963      1.229019
  C      -7.136120      5.354442      0.752813
  C      -6.206459      6.060835      1.502655
  C      -6.572571      6.609199      2.758236
  C      -6.134955      2.902477      7.064361
  C      -6.687838      4.329646      6.960058
  C      -8.194400      4.465197      7.179569
  C      -9.105353      3.927754      6.105403
  N      -8.596211      3.233760      5.077237
  C      -9.455986      2.746278      4.148187
  N     -10.770206      2.850318      4.128069
  C     -11.326969      3.573698      5.156298
  C     -12.727061      3.749961      5.193004
  C     -13.316529      4.474921      6.219136
  C     -12.524152      5.042593      7.234546
  C     -11.146146      4.886060      7.221644
  C     -10.516045      4.150480      6.186793
  H      -2.784227      0.964732      2.319942
  H      -4.106094      2.131447      2.477117
  H      -5.045749      0.486098      4.310891
  H      -3.997376     -0.723888      3.547926
  H      -6.265792     -0.826867      2.578163
  H      -6.252165      0.925752      2.265977
  H      -4.705587      1.558630     -1.830740
  H      -2.939990     -2.660034     -2.307054
  H      -2.786206     -4.673088     -0.829839
  H      -3.728942     -4.606584      1.473973
  H      -4.810273     -2.552191      2.324862
  H      -4.513855      6.301409      5.930348
  H      -3.039020      6.897276      6.678212
  H      -2.239374      7.541603      4.300277
  H      -3.570882      8.473028      5.011720
  H      -3.927893      7.851443      2.569669
  H      -3.920912      6.154671      3.028722
  H      -7.733626      8.195372      5.988694
  H      -9.863686      5.621636      2.813453
  H      -9.166390      4.599575      0.642861
  H      -6.843865      4.913011     -0.201188
  H      -5.183802      6.170857      1.141737
  H      -6.398170      2.482555      8.051881
  H      -6.620636      2.269810      6.307053
  H      -6.172121      4.957120      7.705220
  H      -6.424498      4.740051      5.975062
  H      -8.478817      3.998646      8.141438
  H      -8.428156      5.536987      7.303211
  H      -8.987325      2.199463      3.321150
  H     -13.319934      3.301324      4.394515
  H     -14.399754      4.606775      6.240186
  H     -12.997989      5.610795      8.036904
  H     -10.544217      5.333980      8.012465
  N      -5.118663      3.661953      4.194616
  N      -6.242358      3.475760      3.535585
  H      -7.092473      3.363120      4.159613
  H      -6.384585      4.108690      2.742544
99
Coordinates from ORCA-job orca E -6259.108487919266
  N      -2.933243      1.950479      4.172653
  Mo     -3.740620      3.402609      5.275418
  N      -4.691133      2.828622      6.900213
  C      -3.911347      2.550287      8.103910
  C      -2.567569      1.958361      7.699363
  N      -1.977698      2.758447      6.597517
  C      -1.072946      1.956714      5.734383
  C      -1.895372      1.117887      4.770660
  C      -1.324691      4.004975      7.079150
  C      -1.428953      5.065194      5.985280
  N      -2.819286      5.154097      5.539714
  H      -1.227786      0.714779      3.985979
  H      -2.326196      0.237987      5.290523
  H      -0.463292      2.666981      5.159112
  H      -0.395612      1.337534      6.348906
  H      -1.084659      6.033546      6.386700
  H      -0.751400      4.817465      5.147766
  H      -1.883706      4.352035      7.959222
  H      -0.282081      3.800493      7.384452
  H      -4.435899      1.822056      8.748014
  H      -3.769156      3.464663      8.714184
  H      -2.733214      0.943389      7.312201
  H      -1.870523      1.895000      8.553743
  C      -3.571822      1.357995      3.002775
  C      -4.560245      0.228717      3.337694
  C      -5.622816      0.034311      2.234831
  C      -5.049541     -0.174502      0.863119
  N      -5.100888      0.861137      0.022386
  C      -4.541239      0.696589     -1.202705
  N      -3.934148     -0.373752     -1.683500
  C      -3.882487     -1.456177     -0.846323
  C      -3.261564     -2.647145     -1.293714
  C      -3.206389     -3.755444     -0.468909
  C      -3.770107     -3.715856      0.825638
  C      -4.379542     -2.564306      1.288481
  C      -4.446315     -1.409380      0.468475
  C      -3.460451      6.453093      5.739342
  C      -3.297188      7.475993      4.605619
  C      -4.158596      7.152790      3.385431
  C      -5.645620      7.202164      3.641994
  N      -6.088941      7.779855      4.759363
  C      -7.414029      7.698225      5.025556
  N      -8.338978      7.041000      4.343520
  C      -7.916900      6.464607      3.176570
  C      -8.833455      5.710543      2.403271
  C      -8.429324      5.133037      1.211134
  C      -7.107097      5.295592      0.744292
  C      -6.183299      6.013582      1.490466
  C      -6.559752      6.583160      2.733587
  C      -6.148660      2.903309      7.081981
  C      -6.693463      4.333957      6.980940
  C      -8.197777      4.481153      7.208970
  C      -9.120857      3.949069      6.142186
  N      -8.624030      3.254885      5.108308
  C      -9.494399      2.772341      4.186587
  N     -10.808403      2.881861      4.179003
  C     -11.352607      3.605448      5.213816
  C     -12.751656      3.787150      5.263880
  C     -13.328703      4.512501      6.296702
  C     -12.524561      5.075068      7.305755
  C     -11.147370      4.913076      7.279748
  C     -10.529814      4.177163      6.237687
  H      -2.795631      0.979958      2.309700
  H      -4.114078      2.149203      2.470205
  H      -5.089570      0.496155      4.266438
  H      -4.022477     -0.713213      3.527695
  H      -6.271640     -0.813111      2.507490
  H      -6.246253      0.938550      2.194805
  H      -4.603326      1.566085     -1.865945
  H      -2.840142     -2.657879     -2.299970
  H      -2.728612     -4.671850     -0.820001
  H      -3.725597     -4.602076      1.460856
  H      -4.818900     -2.544294      2.286385
  H      -4.532668      6.301429      5.915688
  H      -3.061030      6.893351      6.673013
  H      -2.239695      7.528941      4.300830
  H      -3.575388      8.466066      4.996574
  H      -3.914779      7.839612      2.555031
  H      -3.909893      6.143383      3.016161
  H      -7.746380      8.212597      5.933645
  H      -9.852431      5.599408      2.776372
  H      -9.137662      4.542188      0.628114
  H      -6.806674      4.836704     -0.198884
  H      -5.157192      6.115441      1.137109
  H      -6.408905      2.484526      8.070715
  H      -6.641277      2.273194      6.327021
  H      -6.170337      4.957375      7.724470
  H      -6.432204      4.744334      5.995281
  H      -8.480030      4.019941      8.173924
  H      -8.421848      5.555366      7.331060
  H      -9.035889      2.225929      3.353495
  H     -13.353664      3.342367      4.470088
  H     -14.411124      4.648753      6.328161
  H     -12.988709      5.643466      8.113621
  H     -10.536694      5.356894      8.066221
  N      -5.147423      3.650726      4.208400
  N      -6.275883      3.462161      3.558596
  H      -7.124129      3.366812      4.188490
  H      -6.414914      4.079812      2.753142
99
Coordinates from ORCA-job orca E -6259.108663110838
  N      -2.954204      1.940625      4.176341
  Mo     -3.762428      3.388322      5.284434
  N      -4.704874      2.820355      6.915707
  C      -3.918121      2.541241      8.114687
  C      -2.577509      1.947569      7.702216
  N      -1.992420      2.747116      6.596845
  C      -1.090166      1.945231      5.731547
  C      -1.915505      1.106498      4.770258
  C      -1.339319      3.995365      7.074526
  C      -1.449552      5.054312      5.980811
  N      -2.841489      5.141024      5.540038
  H      -1.250172      0.704421      3.983169
  H      -2.344685      0.226311      5.290782
  H      -0.480993      2.654716      5.154925
  H      -0.411625      1.325248      6.344219
  H      -1.105467      6.023417      6.380702
  H      -0.774224      4.807457      5.140981
  H      -1.894681      4.341760      7.957102
  H      -0.294902      3.792698      7.374793
  H      -4.439901      1.813985      8.762105
  H      -3.771014      3.455691      8.723729
  H      -2.747275      0.933140      7.315426
  H      -1.875912      1.882617      8.552678
  C      -3.586168      1.362070      2.996810
  C      -4.579857      0.231417      3.310112
  C      -5.617216      0.037075      2.182742
  C      -5.014117     -0.167592      0.823813
  N      -5.047055      0.870864     -0.015030
  C      -4.459680      0.709336     -1.227429
  N      -3.841363     -0.359610     -1.697259
  C      -3.809166     -1.444830     -0.862560
  C      -3.178843     -2.634655     -1.299377
  C      -3.143636     -3.745960     -0.477356
  C      -3.736963     -3.709874      0.803920
  C      -4.355769     -2.559203      1.256570
  C      -4.403135     -1.401502      0.438997
  C      -3.476717      6.444752      5.725170
  C      -3.300416      7.458874      4.585570
  C      -4.155380      7.133728      3.361165
  C      -5.643837      7.189641      3.609630
  N      -6.090778      7.787178      4.715143
  C      -7.417908      7.716665      4.974773
  N      -8.343427      7.058430      4.294853
  C      -7.917065      6.460669      3.140143
  C      -8.835290      5.703625      2.371520
  C      -8.426885      5.100894      1.193293
  C      -7.098078      5.239297      0.737049
  C      -6.173685      5.961473      1.478238
  C      -6.555209      6.558885      2.706950
  C      -6.160917      2.903851      7.106739
  C      -6.698692      4.337419      7.007340
  C      -8.201141      4.493329      7.243705
  C      -9.134838      3.970086      6.181576
  N      -8.648305      3.275816      5.142602
  C      -9.526927      2.802467      4.223983
  N     -10.840280      2.919631      4.225166
  C     -11.373782      3.642205      5.266507
  C     -12.771491      3.830747      5.326227
  C     -13.338393      4.555552      6.365097
  C     -12.524718      5.110618      7.370742
  C     -11.148551      4.941628      7.335350
  C     -10.541366      4.205997      6.287107
  H      -2.806576      0.990044      2.304274
  H      -4.122066      2.161352      2.469707
  H      -5.131698      0.496585      4.226324
  H      -4.044169     -0.709464      3.511279
  H      -6.271211     -0.811203      2.439390
  H      -6.241249      0.939769      2.131220
  H      -4.506744      1.580166     -1.890154
  H      -2.734578     -2.642202     -2.295782
  H      -2.658772     -4.661611     -0.820587
  H      -3.707807     -4.598089      1.437243
  H      -4.816882     -2.542657      2.244709
  H      -4.550516      6.299010      5.896093
  H      -3.080343      6.889743      6.658016
  H      -2.240496      7.503370      4.287751
  H      -3.575490      8.453105      4.967874
  H      -3.905526      7.817824      2.530361
  H      -3.906526      6.122941      2.996437
  H      -7.752123      8.243260      5.875113
  H      -9.858417      5.610252      2.737912
  H      -9.136370      4.508366      0.613393
  H      -6.793516      4.758023     -0.193568
  H      -5.143277      6.044524      1.132428
  H      -6.416927      2.488022      8.097740
  H      -6.661509      2.274568      6.356028
  H      -6.169900      4.957414      7.749914
  H      -6.438428      4.747764      6.021541
  H      -8.479681      4.031076      8.209305
  H      -8.417507      5.568556      7.371223
  H      -9.076263      2.258399      3.384879
  H     -13.380542      3.391678      4.534637
  H     -14.419809      4.697527      6.404116
  H     -12.980671      5.678608      8.183554
  H     -10.531141      5.379387      8.120040
  N      -5.176940      3.633413      4.225836
  N      -6.310929      3.440260      3.588628
  H      -7.157893      3.367997      4.225373
  H      -6.446489      4.036815      2.767160
99
Coordinates from ORCA-job orca E -6259.108830075757
  N      -2.972033      1.938682      4.174195
  Mo     -3.783928      3.378272      5.289508
  N      -4.722184      2.809806      6.923523
  C      -3.932261      2.529675      8.119958
  C      -2.593415      1.935683      7.702958
  N      -2.011038      2.736766      6.597458
  C      -1.108977      1.936626      5.730061
  C      -1.934659      1.101096      4.765803
  C      -1.359216      3.985461      7.075563
  C      -1.472216      5.046111      5.983644
  N      -2.864949      5.131837      5.544044
  H      -1.269410      0.701025      3.977719
  H      -2.364861      0.219774      5.283456
  H      -0.499713      2.647488      5.155214
  H      -0.430746      1.315014      6.341323
  H      -1.129324      6.014946      6.385201
  H      -0.796850      4.802023      5.142959
  H      -1.913770      4.329637      7.959483
  H      -0.314031      3.784139      7.373883
  H      -4.452721      1.802352      8.768392
  H      -3.782891      3.443699      8.729203
  H      -2.764802      0.921974      7.314918
  H      -1.889573      1.868982      8.551447
  C      -3.594983      1.374027      2.983193
  C      -4.596149      0.245477      3.276058
  C      -5.610753      0.053737      2.127580
  C      -4.979534     -0.152225      0.781723
  N      -4.988864      0.887588     -0.056171
  C      -4.375099      0.725018     -1.255250
  N      -3.750769     -0.345939     -1.712447
  C      -3.741824     -1.432317     -0.878664
  C      -3.106278     -2.624027     -1.302535
  C      -3.093826     -3.736406     -0.481218
  C      -3.715807     -3.699398      0.786347
  C      -4.340341     -2.546851      1.226302
  C      -4.364926     -1.388104      0.409206
  C      -3.495228      6.439498      5.714802
  C      -3.304214      7.444710      4.569993
  C      -4.149664      7.112888      3.340910
  C      -5.639717      7.172209      3.578388
  N      -6.093602      7.789333      4.670310
  C      -7.422478      7.724100      4.922098
  N      -8.344030      7.055112      4.247251
  C      -7.910109      6.436346      3.106497
  C      -8.823904      5.666714      2.345060
  C      -8.407684      5.041723      1.181201
  C      -7.075216      5.169696      0.732502
  C      -6.155426      5.904682      1.466694
  C      -6.545043      6.525372      2.681322
  C      -6.176604      2.904029      7.121926
  C      -6.702940      4.342183      7.027103
  C      -8.202330      4.511160      7.273536
  C      -9.148248      3.993496      6.219757
  N      -8.674626      3.297738      5.175948
  C      -9.563654      2.828848      4.265351
  N     -10.876494      2.951496      4.279083
  C     -11.396991      3.676224      5.325406
  C     -12.793208      3.870697      5.398411
  C     -13.347151      4.597664      6.442813
  C     -12.521666      5.148859      7.440851
  C     -11.146568      4.973832      7.392549
  C     -10.552536      4.235930      6.338398
  H      -2.810920      1.004434      2.294397
  H      -4.121577      2.181169      2.458203
  H      -5.165837      0.510637      4.181183
  H      -4.065816     -0.696404      3.486600
  H      -6.272045     -0.792673      2.371153
  H      -6.231145      0.958414      2.063600
  H      -4.403413      1.596825     -1.917801
  H      -2.639548     -2.632097     -2.288617
  H      -2.604765     -4.653482     -0.814540
  H      -3.704330     -4.588379      1.419176
  H      -4.823310     -2.530010      2.203947
  H      -4.571134      6.299363      5.877159
  H      -3.104643      6.889021      6.647941
  H      -2.241502      7.483322      4.281358
  H      -3.579040      8.442694      4.942541
  H      -3.892923      7.791919      2.508016
  H      -3.898937      6.099811      2.984189
  H      -7.762246      8.265858      5.811312
  H      -9.849838      5.581538      2.705583
  H      -9.113764      4.439789      0.606828
  H      -6.764345      4.670280     -0.186409
  H      -5.122493      5.979719      1.126775
  H      -6.430514      2.489409      8.114020
  H      -6.685643      2.279109      6.373369
  H      -6.164678      4.956909      7.767247
  H      -6.444987      4.751422      6.040047
  H      -8.477641      4.053081      8.242038
  H      -8.408647      5.588490      7.400920
  H      -9.123456      2.281037      3.423343
  H     -13.411570      3.434437      4.612515
  H     -14.427518      4.744304      6.492154
  H     -12.967483      5.718468      8.258133
  H     -10.520031      5.408502      8.171719
  N      -5.203009      3.620977      4.236669
  N      -6.341013      3.425515      3.607977
  H      -7.186606      3.371151      4.248981
  H      -6.474045      4.003965      2.773100
99
Coordinates from ORCA-job orca E -6259.108996754677
  N      -2.989918      1.931013      4.172175
  Mo     -3.806697      3.362630      5.293935
  N      -4.742345      2.796612      6.930800
  C      -3.950759      2.511628      8.124620
  C      -2.613966      1.916915      7.703396
  N      -2.033125      2.720442      6.599184
  C      -1.129446      1.922527      5.730882
  C      -1.953598      1.090583      4.761462
  C      -1.383510      3.969518      7.079134
  C      -1.496362      5.032158      5.988324
  N      -2.888927      5.116690      5.544918
  H      -1.287024      0.693964      3.972781
  H      -2.383619      0.206767      5.274873
  H      -0.519454      2.635583      5.159455
  H      -0.452359      1.299194      6.341368
  H      -1.156691      6.000781      6.392955
  H      -0.817594      4.791398      5.149456
  H      -1.939538      4.311444      7.962956
  H      -0.338433      3.769343      7.378161
  H      -4.471562      1.783645      8.772070
  H      -3.798566      3.423822      8.736144
  H      -2.787170      0.904559      7.312508
  H      -1.908392      1.847195      8.550247
  C      -3.602725      1.378748      2.970117
  C      -4.604426      0.247896      3.246306
  C      -5.599816      0.050078      2.081900
  C      -4.943580     -0.150165      0.746877
  N      -4.941821      0.891454     -0.088765
  C      -4.304938      0.734576     -1.276401
  N      -3.666833     -0.332355     -1.724010
  C      -3.667270     -1.420012     -0.892042
  C      -3.016626     -2.607225     -1.305710
  C      -3.012125     -3.720595     -0.485625
  C      -3.657628     -3.689305      0.770275
  C      -4.297774     -2.541478      1.200171
  C      -4.314475     -1.381714      0.384248
  C      -3.512111      6.430306      5.693567
  C      -3.304402      7.420158      4.538748
  C      -4.146855      7.082954      3.309296
  C      -5.636782      7.155451      3.541868
  N      -6.087728      7.793573      4.622971
  C      -7.417349      7.741380      4.873612
  N      -8.342837      7.068009      4.208556
  C      -7.911768      6.427851      3.078519
  C      -8.830436      5.655237      2.326028
  C      -8.417482      5.011509      1.171315
  C      -7.083415      5.123434      0.722861
  C      -6.158997      5.860849      1.448449
  C      -6.545327      6.500468      2.654309
  C      -6.194884      2.902271      7.136687
  C      -6.708960      4.345384      7.050534
  C      -8.204890      4.524568      7.309976
  C      -9.162407      4.020082      6.261034
  N      -8.701734      3.328287      5.208798
  C      -9.600475      2.870932      4.302269
  N     -10.912283      3.002758      4.326344
  C     -11.419890      3.724431      5.380679
  C     -12.814007      3.927790      5.465496
  C     -13.355115      4.651690      6.518899
  C     -12.518645      5.190777      7.514145
  C     -11.145001      5.006648      7.454584
  C     -10.563974      4.271500      6.391174
  H      -2.813420      1.013366      2.284928
  H      -4.123196      2.191671      2.447243
  H      -5.187849      0.510896      4.142905
  H      -4.074098     -0.692287      3.464199
  H      -6.257862     -0.801710      2.314924
  H      -6.226338      0.950651      2.008679
  H      -4.324781      1.607687     -1.937590
  H      -2.531424     -2.610904     -2.282869
  H      -2.511149     -4.634092     -0.810987
  H      -3.652248     -4.579054      1.402145
  H      -4.798819     -2.529313      2.168720
  H      -4.590513      6.298465      5.847365
  H      -3.126319      6.888629      6.624309
  H      -2.239697      7.445224      4.255965
  H      -3.571594      8.424777      4.898833
  H      -3.882533      7.753467      2.471831
  H      -3.902093      6.065195      2.962032
  H      -7.754083      8.299864      5.753678
  H      -9.857816      5.583951      2.685551
  H      -9.127465      4.408553      0.602792
  H      -6.775210      4.610848     -0.189727
  H      -5.125856      5.925535      1.106882
  H      -6.446638      2.487390      8.129390
  H      -6.713919      2.283873      6.389850
  H      -6.159981      4.953005      7.788507
  H      -6.454505      4.754576      6.062414
  H      -8.474691      4.060687      8.277446
  H      -8.402776      5.602034      7.448436
  H      -9.170207      2.322612      3.456087
  H     -13.441089      3.500745      4.681463
  H     -14.434085      4.805135      6.577387
  H     -12.954306      5.758230      8.338359
  H     -10.509688      5.432257      8.231596
  N      -5.227249      3.605070      4.243081
  N      -6.369489      3.408413      3.623279
  H      -7.214585      3.379286      4.266551
  H      -6.498046      3.963366      2.771505
99
Coordinates from ORCA-job orca E -6259.109143038104
  N      -3.009063      1.922310      4.174807
  Mo     -3.829525      3.346998      5.302238
  N      -4.761475      2.783873      6.942524
  C      -3.967554      2.495702      8.133940
  C      -2.632460      1.900689      7.708405
  N      -2.054376      2.705786      6.603885
  C      -1.149622      1.910089      5.734520
  C      -1.972545      1.080557      4.761839
  C      -1.406874      3.956046      7.083604
  C      -1.520603      5.019000      5.993269
  N      -2.912842      5.101704      5.547416
  H      -1.304961      0.686972      3.972607
  H      -2.401821      0.194763      5.272476
  H      -0.539578      2.624779      5.165172
  H      -0.472922      1.285691      6.344256
  H      -1.183877      5.987946      6.399629
  H      -0.839493      4.780626      5.155513
  H      -1.963444      4.296975      7.967396
  H      -0.361474      3.757627      7.382476
  H      -4.487757      1.767136      8.781212
  H      -3.813106      3.406539      8.747027
  H      -2.807065      0.889167      7.315902
  H      -1.924617      1.829267      8.553237
  C      -3.611617      1.381908      2.961969
  C      -4.613631      0.247654      3.219540
  C      -5.587619      0.045219      2.037724
  C      -4.905411     -0.145094      0.714071
  N      -4.891401      0.901479     -0.115459
  C      -4.231015      0.754127     -1.291276
  N      -3.580299     -0.307899     -1.732556
  C      -3.592713     -1.400433     -0.907060
  C      -2.929495     -2.582672     -1.314919
  C      -2.936641     -3.700998     -0.501502
  C      -3.606842     -3.679772      0.741501
  C      -4.259959     -2.537013      1.165606
  C      -4.265007     -1.372272      0.356558
  C      -3.528524      6.421190      5.670745
  C      -3.302311      7.393410      4.504251
  C      -4.141134      7.049836      3.273893
  C      -5.631450      7.139794      3.498440
  N      -6.080370      7.804881      4.564295
  C      -7.411080      7.769124      4.811475
  N      -8.340332      7.090670      4.156991
  C      -7.911479      6.424091      3.041520
  C      -8.835029      5.645885      2.300779
  C      -8.424116      4.975342      1.160581
  C      -7.086998      5.064484      0.715949
  C      -6.158070      5.807143      1.430381
  C      -6.542668      6.474772      2.621545
  C      -6.212248      2.900547      7.155115
  C      -6.715918      4.348054      7.074358
  C      -8.208541      4.537371      7.345414
  C      -9.177815      4.044200      6.301897
  N      -8.730622      3.354903      5.242212
  C      -9.640026      2.907203      4.341615
  N     -10.950680      3.048726      4.376609
  C     -11.444616      3.768486      5.438333
  C     -12.836548      3.981270      5.535405
  C     -13.364085      4.703078      6.597055
  C     -12.515977      5.230808      7.588457
  C     -11.144119      5.037308      7.516972
  C     -10.576729      4.304042      6.444893
  H      -2.816408      1.022790      2.280348
  H      -4.127296      2.199749      2.441457
  H      -5.212540      0.507398      4.106730
  H      -4.082895     -0.690615      3.444920
  H      -6.241905     -0.812812      2.257475
  H      -6.220453      0.940318      1.956257
  H      -4.241168      1.630992     -1.947628
  H      -2.425319     -2.578621     -2.282410
  H      -2.425855     -4.610658     -0.822343
  H      -3.610429     -4.573274      1.368069
  H      -4.780123     -2.532771      2.124115
  H      -4.609087      6.297853      5.814989
  H      -3.148685      6.889858      6.598755
  H      -2.235620      7.403319      4.228251
  H      -3.560633      8.405432      4.849594
  H      -3.866193      7.709021      2.430810
  H      -3.904211      6.026293      2.938733
  H      -7.745632      8.348123      5.678957
  H      -9.864673      5.592936      2.656966
  H      -9.137838      4.368885      0.600508
  H      -6.780112      4.530873     -0.185002
  H      -5.123417      5.855349      1.090868
  H      -6.462492      2.486082      8.148398
  H      -6.739863      2.287227      6.410105
  H      -6.157154      4.950393      7.809270
  H      -6.465082      4.756198      6.084875
  H      -8.473794      4.070647      8.312830
  H      -8.398011      5.615348      7.491574
  H      -9.220238      2.361009      3.488949
  H     -13.472826      3.562965      4.754096
  H     -14.441452      4.863733      6.665000
  H     -12.940928      5.796834      8.419229
  H     -10.499663      5.454331      8.291116
  N      -5.254535      3.587743      4.256707
  N      -6.402773      3.390675      3.648687
  H      -7.244940      3.384560      4.295457
  H      -6.528033      3.925428      2.783581
99
Coordinates from ORCA-job orca E -6259.109280321007
  N      -3.033822      1.914921      4.178895
  Mo     -3.855968      3.333443      5.312010
  N      -4.785711      2.774755      6.955409
  C      -3.991583      2.478577      8.144580
  C      -2.658603      1.882174      7.714651
  N      -2.081821      2.689523      6.610945
  C      -1.176016      1.895988      5.740466
  C      -1.997880      1.070788      4.763259
  C      -1.435355      3.939697      7.091975
  C      -1.545375      5.003256      6.002145
  N      -2.935821      5.086263      5.549643
  H      -1.329043      0.680445      3.973561
  H      -2.427113      0.182716      5.270024
  H      -0.564644      2.612257      5.174495
  H      -0.501036      1.269040      6.349360
  H      -1.211932      5.971907      6.411971
  H      -0.859519      4.766985      5.167521
  H      -1.993894      4.280595      7.974468
  H      -0.390644      3.741220      7.392924
  H      -4.513338      1.748560      8.788960
  H      -3.834150      3.386011      8.762064
  H      -2.835513      0.872289      7.318913
  H      -1.948831      1.807164      8.557533
  C      -3.625497      1.386501      2.955221
  C      -4.624615      0.246585      3.195199
  C      -5.578586      0.036394      1.998330
  C      -4.872014     -0.140233      0.685163
  N      -4.850166      0.912251     -0.136900
  C      -4.167339      0.777993     -1.301198
  N      -3.501163     -0.276561     -1.737668
  C      -3.520504     -1.374650     -0.919764
  C      -2.840724     -2.548992     -1.323125
  C      -2.853432     -3.672694     -0.517059
  C      -3.545952     -3.664969      0.713650
  C      -4.216005     -2.530236      1.133219
  C      -4.215959     -1.360233      0.331650
  C      -3.537818      6.414748      5.635895
  C      -3.283408      7.359869      4.452553
  C      -4.120106      7.009536      3.222519
  C      -5.609608      7.128498      3.438582
  N      -6.050254      7.828310      4.485858
  C      -7.381133      7.815924      4.733043
  N      -8.318560      7.131129      4.097098
  C      -7.898472      6.430465      2.999416
  C      -8.831694      5.645250      2.278552
  C      -8.429366      4.941310      1.155375
  C      -7.091326      5.002566      0.708881
  C      -6.152859      5.751056      1.404714
  C      -6.529026      6.453356      2.578555
  C      -6.234706      2.902406      7.173066
  C      -6.729123      4.354214      7.103145
  C      -8.218537      4.548251      7.387633
  C      -9.197412      4.068299      6.346886
  N      -8.760656      3.390909      5.275298
  C      -9.678352      2.956212      4.376903
  N     -10.988450      3.100297      4.424220
  C     -11.472172      3.807528      5.498495
  C     -12.862886      4.021997      5.609705
  C     -13.380072      4.731236      6.684755
  C     -12.522948      5.244714      7.675828
  C     -11.152018      5.049499      7.590617
  C     -10.594930      4.328956      6.504515
  H      -2.823360      1.035772      2.277446
  H      -4.138491      2.207978      2.437312
  H      -5.236690      0.502168      4.074371
  H      -4.091057     -0.688585      3.427101
  H      -6.223662     -0.831431      2.205641
  H      -6.222546      0.922643      1.909872
  H      -4.171514      1.659273     -1.951604
  H      -2.319223     -2.534639     -2.281278
  H      -2.329686     -4.576251     -0.834261
  H      -3.553565     -4.562500      1.334401
  H      -4.753630     -2.536107      2.082044
  H      -4.621571      6.305897      5.766422
  H      -3.165292      6.898115      6.559211
  H      -2.214641      7.344623      4.185225
  H      -3.525060      8.382828      4.776843
  H      -3.829289      7.650740      2.370886
  H      -3.898968      5.977044      2.904846
  H      -7.708483      8.422269      5.584369
  H      -9.862064      5.614914      2.635256
  H      -9.150469      4.330174      0.610028
  H      -6.790789      4.442978     -0.178394
  H      -5.118073      5.778469      1.063287
  H      -6.485174      2.484053      8.164716
  H      -6.770210      2.297580      6.426770
  H      -6.160417      4.949483      7.836052
  H      -6.483948      4.764632      6.113108
  H      -8.477460      4.072227      8.352331
  H      -8.403625      5.624961      7.547703
  H      -9.266620      2.418166      3.515315
  H     -13.506446      3.614963      4.828429
  H     -14.456564      4.892909      6.763499
  H     -12.939786      5.800846      8.517332
  H     -10.500255      5.455280      8.364607
  N      -5.283238      3.576892      4.270149
  N      -6.438639      3.385302      3.674333
  H      -7.277830      3.405692      4.323291
  H      -6.558671      3.899081      2.795764
99
Coordinates from ORCA-job orca E -6259.109413972879
  N      -3.053617      1.912155      4.183097
  Mo     -3.878849      3.322884      5.322202
  N      -4.806666      2.763539      6.967230
  C      -4.011624      2.462609      8.154653
  C      -2.678916      1.867569      7.721187
  N      -2.104493      2.678105      6.618321
  C      -1.197161      1.888467      5.745864
  C      -2.017598      1.066398      4.765187
  C      -1.460785      3.928879      7.101265
  C      -1.569724      4.993509      6.013435
  N      -2.958500      5.074947      5.556601
  H      -1.347711      0.679528      3.974785
  H      -2.446951      0.176329      5.268368
  H      -0.585279      2.606706      5.183012
  H      -0.522860      1.259525      6.353517
  H      -1.240316      5.961933      6.427322
  H      -0.880341      4.761108      5.180368
  H      -2.020934      4.268267      7.983286
  H      -0.416082      3.731926      7.403182
  H      -4.533119      1.730078      8.796411
  H      -3.853703      3.367361      8.775881
  H      -2.855946      0.858702      7.322904
  H      -1.967566      1.790748      8.562480
  C      -3.635008      1.395926      2.949170
  C      -4.635851      0.253326      3.168704
  C      -5.568067      0.044861      1.954780
  C      -4.837530     -0.124052      0.653767
  N      -4.799101      0.933826     -0.161143
  C      -4.093917      0.806420     -1.312639
  N      -3.419786     -0.245947     -1.742582
  C      -3.455909     -1.349318     -0.932227
  C      -2.768818     -2.521375     -1.329499
  C      -2.797557     -3.650252     -0.530852
  C      -3.513629     -3.649795      0.686148
  C      -4.191384     -2.517266      1.099603
  C      -4.175903     -1.342331      0.305329
  C      -3.550695      6.408951      5.610545
  C      -3.271484      7.330621      4.413735
  C      -4.101820      6.970309      3.181898
  C      -5.591588      7.110656      3.385214
  N      -6.030172      7.842802      4.411407
  C      -7.361965      7.850481      4.652270
  N      -8.303149      7.158968      4.029198
  C      -7.885364      6.426185      2.951934
  C      -8.823740      5.632849      2.246816
  C      -8.423411      4.895090      1.144473
  C      -7.082439      4.929232      0.704168
  C      -6.139031      5.685592      1.385204
  C      -6.513550      6.423424      2.537752
  C      -6.253949      2.901762      7.188321
  C      -6.738864      4.357591      7.125223
  C      -8.224703      4.559909      7.421954
  C      -9.214642      4.089016      6.386984
  N      -8.789501      3.419409      5.306210
  C      -9.716660      2.994767      4.412756
  N     -11.026001      3.141937      4.473437
  C     -11.498026      3.840386      5.558510
  C     -12.887397      4.056594      5.685159
  C     -13.392663      4.757069      6.771389
  C     -12.525024      5.260086      7.758827
  C     -11.155380      5.063120      7.658483
  C     -10.610282      4.351278      6.560682
  H      -2.826133      1.053716      2.275299
  H      -4.144498      2.221743      2.434458
  H      -5.262943      0.505771      4.038188
  H      -4.103776     -0.681136      3.407224
  H      -6.212843     -0.826498      2.147316
  H      -6.214429      0.928022      1.858210
  H      -4.084935      1.691698     -1.957525
  H      -2.228863     -2.501274     -2.277264
  H      -2.268024     -4.552084     -0.843328
  H      -3.533292     -4.551036      1.301215
  H      -4.747056     -2.528407      2.037971
  H      -4.636746      6.310226      5.727457
  H      -3.187304      6.905456      6.530563
  H      -2.200561      7.297046      4.157250
  H      -3.502475      8.362049      4.717978
  H      -3.796166      7.594869      2.323110
  H      -3.890711      5.930667      2.881725
  H      -7.687749      8.482985      5.484906
  H      -9.856230      5.623433      2.598467
  H      -9.148372      4.277431      0.611731
  H      -6.782989      4.341388     -0.165047
  H      -5.102112      5.691334      1.049519
  H      -6.506097      2.480390      8.178208
  H      -6.795250      2.304295      6.440146
  H      -6.160253      4.947079      7.855071
  H      -6.499357      4.769502      6.134040
  H      -8.479426      4.083036      8.387235
  H      -8.402843      5.637168      7.586519
  H      -9.314586      2.463548      3.542273
  H     -13.539404      3.658014      4.906537
  H     -14.468037      4.920101      6.861840
  H     -12.932666      5.809157      8.609428
  H     -10.495321      5.460207      8.429992
  N      -5.310639      3.565676      4.287204
  N      -6.471175      3.377120      3.701903
  H      -7.306913      3.417932      4.353823
  H      -6.589589      3.870706      2.811717
99
Coordinates from ORCA-job orca E -6259.109586821175
  N      -3.075609      1.917269      4.188759
  Mo     -3.902558      3.317869      5.337427
  N      -4.827568      2.753787      6.982773
  C      -4.032138      2.444386      8.167621
  C      -2.699553      1.852207      7.728721
  N      -2.127736      2.668419      6.628280
  C      -1.219470      1.884682      5.751432
  C      -2.039257      1.068290      4.765985
  C      -1.486613      3.918596      7.115902
  C      -1.593833      4.986949      6.032760
  N      -2.980545      5.067514      5.570786
  H      -1.369030      0.686466      3.973521
  H      -2.469149      0.175373      5.263519
  H      -0.607326      2.606074      5.193032
  H      -0.545542      1.252243      6.355956
  H      -1.269295      5.954118      6.453774
  H      -0.900097      4.761127      5.201144
  H      -2.048488      4.254562      7.998116
  H      -0.441990      3.722497      7.418638
  H      -4.553365      1.707165      8.804218
  H      -3.874092      3.344515      8.795470
  H      -2.876477      0.845209      7.325714
  H      -1.986458      1.771765      8.568081
  C      -3.647125      1.415256      2.944350
  C      -4.648963      0.269239      3.142222
  C      -5.561693      0.065508      1.913009
  C      -4.809429     -0.097210      0.623630
  N      -4.753087      0.965786     -0.184123
  C      -4.026663      0.843172     -1.322825
  N      -3.346825     -0.208424     -1.746056
  C      -3.401146     -1.316633     -0.943239
  C      -2.708980     -2.487672     -1.334148
  C      -2.754745     -3.621204     -0.542605
  C      -3.493273     -3.626123      0.660709
  C      -4.176683     -2.494492      1.067664
  C      -4.144686     -1.315090      0.280383
  C      -3.559636      6.407438      5.583549
  C      -3.251511      7.297098      4.369000
  C      -4.072730      6.920515      3.135336
  C      -5.562807      7.084851      3.320275
  N      -6.000200      7.853129      4.320480
  C      -7.333234      7.884930      4.550385
  N      -8.278162      7.187865      3.939338
  C      -7.861712      6.418861      2.887275
  C      -8.805718      5.618319      2.198127
  C      -8.406453      4.840592      1.122884
  C      -7.061290      4.841204      0.694286
  C      -6.112584      5.604986      1.360107
  C      -6.486441      6.384551      2.485435
  C      -6.273196      2.901005      7.207084
  C      -6.750876      4.360056      7.152059
  C      -8.233440      4.566271      7.462064
  C      -9.233167      4.104645      6.431558
  N      -8.817498      3.446025      5.340525
  C      -9.752489      3.030440      4.451031
  N     -11.061307      3.177304      4.524803
  C     -11.523672      3.864125      5.621491
  C     -12.912108      4.078541      5.763127
  C     -13.407688      4.767196      6.861204
  C     -12.531323      5.259921      7.846329
  C     -11.162634      5.064575      7.731411
  C     -10.627291      4.364779      6.621199
  H      -2.831366      1.083881      2.273637
  H      -4.154714      2.245554      2.434514
  H      -5.288645      0.516834      4.003933
  H      -4.118216     -0.665182      3.384049
  H      -6.207218     -0.808250      2.091227
  H      -6.208792      0.946960      1.808973
  H      -4.002821      1.732043     -1.962377
  H      -2.151274     -2.463207     -2.271477
  H      -2.221082     -4.522307     -0.850121
  H      -3.525800     -4.530657      1.270359
  H      -4.749450     -2.509440      1.995692
  H      -4.648031      6.320980      5.685441
  H      -3.206082      6.922098      6.497468
  H      -2.178286      7.241737      4.126683
  H      -3.470154      8.338757      4.645862
  H      -3.748882      7.522727      2.267329
  H      -3.872501      5.872335      2.858727
  H      -7.657750      8.544967      5.361753
  H      -9.841218      5.634468      2.540566
  H      -9.135759      4.216795      0.603377
  H      -6.762289      4.220085     -0.151674
  H      -5.072515      5.583687      1.034904
  H      -6.527104      2.475292      8.194612
  H      -6.819279      2.311103      6.456196
  H      -6.163182      4.944005      7.879114
  H      -6.519128      4.776116      6.160169
  H      -8.482973      4.085388      8.426611
  H      -8.407509      5.643100      7.633555
  H      -9.358614      2.508335      3.571150
  H     -13.571223      3.688255      4.986289
  H     -14.482242      4.929026      6.962856
  H     -12.931532      5.799377      8.706551
  H     -10.495618      5.452922      8.501414
  N      -5.340365      3.563466      4.312023
  N      -6.507550      3.383210      3.739423
  H      -7.339378      3.435953      4.396070
  H      -6.625268      3.861882      2.841185
99
Coordinates from ORCA-job orca E -6259.109831210934
  N      -3.091104      1.925205      4.198221
  Mo     -3.921504      3.313517      5.357802
  N      -4.841615      2.743928      7.004655
  C      -4.042626      2.427518      8.184755
  C      -2.711040      1.838780      7.738718
  N      -2.142954      2.661491      6.641582
  C      -1.234145      1.883566      5.759733
  C      -2.053990      1.072165      4.769120
  C      -1.505778      3.911653      7.134630
  C      -1.615665      4.986004      6.056949
  N      -3.002165      5.062988      5.591708
  H      -1.384472      0.696524      3.973198
  H      -2.482894      0.175600      5.260581
  H      -0.622626      2.608852      5.205613
  H      -0.559346      1.248256      6.360186
  H      -1.297453      5.952116      6.485324
  H      -0.918057      4.769330      5.226074
  H      -2.068738      4.241004      8.018615
  H      -0.460574      3.717871      7.436381
  H      -4.561636      1.685567      8.817731
  H      -3.883585      3.323716      8.818052
  H      -2.888343      0.833845      7.330742
  H      -1.995624      1.754544      8.575752
  C      -3.655225      1.442215      2.942815
  C      -4.662385      0.298369      3.116931
  C      -5.558085      0.109750      1.873336
  C      -4.789909     -0.053362      0.593458
  N      -4.719200      1.011276     -0.211208
  C      -3.978832      0.887930     -1.340836
  N      -3.298546     -0.165783     -1.758215
  C      -3.367898     -1.275751     -0.959021
  C      -2.676516     -2.448997     -1.344449
  C      -2.737188     -3.584472     -0.556508
  C      -3.490572     -3.588779      0.637480
  C      -4.173759     -2.454916      1.039057
  C      -4.126358     -1.273417      0.255599
  C      -3.573500      6.405628      5.566248
  C      -3.244665      7.263972      4.335006
  C      -4.050658      6.863217      3.098912
  C      -5.541446      7.045711      3.255580
  N      -5.985872      7.849565      4.223968
  C      -7.322239      7.904937      4.429215
  N      -8.266154      7.204430      3.820867
  C      -7.841204      6.396585      2.801809
  C      -8.784024      5.585824      2.123037
  C      -8.375572      4.763433      1.085179
  C      -7.022453      4.729080      0.683664
  C      -6.075467      5.503169      1.339610
  C      -6.458891      6.328414      2.428890
  C      -6.286237      2.896495      7.235847
  C      -6.759395      4.357248      7.191856
  C      -8.239762      4.565622      7.512634
  C      -9.245863      4.114393      6.483555
  N      -8.836119      3.464477      5.384829
  C      -9.773523      3.064301      4.491400
  N     -11.081543      3.216248      4.569547
  C     -11.538671      3.891162      5.675930
  C     -12.925839      4.107451      5.824139
  C     -13.416669      4.783994      6.932316
  C     -12.536447      5.262870      7.920461
  C     -11.168261      5.065651      7.799271
  C     -10.638073      4.377159      6.679489
  H      -2.835959      1.119263      2.272225
  H      -4.157468      2.282036      2.442452
  H      -5.313866      0.542104      3.970650
  H      -4.138426     -0.639615      3.359233
  H      -6.214765     -0.758639      2.037209
  H      -6.196135      0.998154      1.764859
  H      -3.941916      1.777827     -1.978385
  H      -2.107074     -2.424659     -2.274701
  H      -2.203933     -4.487175     -0.859993
  H      -3.535148     -4.494713      1.244301
  H      -4.758056     -2.470501      1.959804
  H      -4.663685      6.326095      5.657508
  H      -3.227718      6.940276      6.471697
  H      -2.168617      7.195853      4.108520
  H      -3.459712      8.313416      4.583597
  H      -3.708474      7.441785      2.221911
  H      -3.855067      5.807170      2.850778
  H      -7.651360      8.589226      5.218240
  H      -9.825069      5.627875      2.445939
  H      -9.104012      4.131912      0.573820
  H      -6.716382      4.073344     -0.133063
  H      -5.030529      5.456518      1.033636
  H      -6.537251      2.467716      8.222820
  H      -6.837936      2.311194      6.485332
  H      -6.165598      4.935442      7.918584
  H      -6.533568      4.779731      6.201764
  H      -8.485733      4.079456      8.475434
  H      -8.409206      5.642265      7.691760
  H      -9.383368      2.548117      3.606423
  H     -13.588136      3.727964      5.044674
  H     -14.490536      4.946833      7.039405
  H     -12.932987      5.792957      8.788172
  H     -10.498168      5.443061      8.572076
  N      -5.364437      3.558791      4.341410
  N      -6.533915      3.377678      3.779281
  H      -7.363568      3.441364      4.440542
  H      -6.655728      3.835444      2.871285
99
Coordinates from ORCA-job orca E -6259.110059480730
  N      -3.106291      1.932015      4.207413
  Mo     -3.940327      3.308399      5.377199
  N      -4.855651      2.734623      7.026132
  C      -4.052707      2.411947      8.201320
  C      -2.722388      1.826078      7.748360
  N      -2.157955      2.654698      6.654301
  C      -1.248571      1.882106      5.767903
  C      -2.068378      1.075195      4.772292
  C      -1.524849      3.905063      7.152334
  C      -1.637826      4.985130      6.079647
  N      -3.024330      5.058162      5.611276
  H      -1.399521      0.705587      3.973080
  H      -2.496060      0.175097      5.257984
  H      -0.637729      2.611083      5.217768
  H      -0.572858      1.244322      6.364594
  H      -1.325932      5.950310      6.514828
  H      -0.936517      4.777365      5.249592
  H      -2.088869      4.227888      8.038017
  H      -0.479040      3.713831      7.453102
  H      -4.569497      1.665890      8.831360
  H      -3.892223      3.304641      8.839300
  H      -2.900348      0.823071      7.335921
  H      -2.004653      1.738331      8.583089
  C      -3.663024      1.468416      2.941260
  C      -4.675315      0.327336      3.091612
  C      -5.553742      0.154028      1.834008
  C      -4.770399     -0.008722      0.563353
  N      -4.687278      1.057704     -0.237880
  C      -3.934057      0.934704     -1.359001
  N      -3.252742     -0.120315     -1.771516
  C      -3.335117     -1.232261     -0.976339
  C      -2.643848     -2.406956     -1.357380
  C      -2.717563     -3.544622     -0.573552
  C      -3.484575     -3.549357      0.611655
  C      -4.168139     -2.414042      1.008957
  C      -4.107145     -1.230190      0.229916
  C      -3.589035      6.402022      5.549626
  C      -3.241007      7.230487      4.303791
  C      -4.031424      6.804875      3.066025
  C      -5.522553      7.002292      3.194105
  N      -5.974443      7.840086      4.129398
  C      -7.313635      7.916165      4.308837
  N      -8.255391      7.210867      3.703001
  C      -7.821497      6.365617      2.718614
  C      -8.761975      5.543281      2.050507
  C      -8.344117      4.678133      1.051983
  C      -6.983919      4.612015      0.679221
  C      -6.039781      5.397628      1.325008
  C      -6.432969      6.266665      2.376370
  C      -6.299216      2.892953      7.264672
  C      -6.767220      4.355485      7.231375
  C      -8.245311      4.567069      7.562414
  C      -9.257845      4.126631      6.534908
  N      -8.854446      3.484291      5.429148
  C      -9.794201      3.100645      4.531560
  N     -11.101197      3.259573      4.613340
  C     -11.552763      3.923550      5.728688
  C     -12.938376      4.143612      5.882603
  C     -13.424157      4.809080      7.000186
  C     -12.540017      5.273349      7.991378
  C     -11.172528      5.072389      7.864762
  C     -10.647829      4.393997      6.736180
  H      -2.840578      1.153613      2.270597
  H      -4.159647      2.317989      2.450929
  H      -5.338739      0.567452      3.936867
  H      -4.158397     -0.614263      3.334437
  H      -6.221316     -0.708840      1.983257
  H      -6.182725      1.049456      1.722047
  H      -3.885731      1.825814     -1.994137
  H      -2.063677     -2.381956     -2.280963
  H      -2.184214     -4.448321     -0.873872
  H      -3.539814     -4.456908      1.215196
  H      -4.763064     -2.431220      1.922781
  H      -4.680797      6.327776      5.630290
  H      -3.251163      6.955755      6.446618
  H      -2.162312      7.152170      4.093169
  H      -3.453873      8.286393      4.525183
  H      -3.672095      7.360576      2.181129
  H      -3.839176      5.742121      2.845984
  H      -7.647973      8.623485      5.074926
  H      -9.808003      5.608942      2.352738
  H      -9.070767      4.038012      0.548803
  H      -6.670614      3.923453     -0.107091
  H      -4.990642      5.328296      1.038979
  H      -6.546906      2.461886      8.251533
  H      -6.857018      2.311852      6.515287
  H      -6.167387      4.927811      7.957825
  H      -6.546536      4.783898      6.243242
  H      -8.488242      4.076190      8.523595
  H      -8.409148      5.643717      7.748715
  H      -9.407961      2.589137      3.642252
  H     -13.603875      3.775468      5.100447
  H     -14.497156      4.974320      7.112122
  H     -12.932633      5.794979      8.865969
  H     -10.499344      5.438386      8.640406
  N      -5.387841      3.552378      4.369139
  N      -6.558778      3.368079      3.817096
  H      -7.385979      3.444705      4.482839
  H      -6.686031      3.802788      2.899082
99
Coordinates from ORCA-job orca E -6259.110237248408
  N      -3.119292      1.937945      4.218525
  Mo     -3.957749      3.302652      5.397451
  N      -4.867882      2.725983      7.049257
  C      -4.060346      2.397802      8.219248
  C      -2.731135      1.815062      7.759250
  N      -2.170849      2.649435      6.667857
  C      -1.260471      1.882266      5.777354
  C      -2.079834      1.078486      4.777488
  C      -1.542830      3.900852      7.170325
  C      -1.660270      4.986191      6.102343
  N      -3.046828      5.053709      5.630823
  H      -1.411622      0.715137      3.974949
  H      -2.505296      0.174769      5.257998
  H      -0.650666      2.614881      5.230792
  H      -0.583349      1.242765      6.370518
  H      -1.355651      5.950866      6.543882
  H      -0.955215      4.787773      5.273192
  H      -2.107927      4.216876      8.057734
  H      -0.496203      3.713197      7.469928
  H      -4.574400      1.647636      8.846755
  H      -3.898471      3.287215      8.861540
  H      -2.909551      0.813795      7.342774
  H      -2.010969      1.724389      8.591609
  C      -3.669056      1.493858      2.942269
  C      -4.685937      0.355572      3.068493
  C      -5.547689      0.199895      1.797672
  C      -4.751038      0.037989      0.535233
  N      -4.656273      1.106407     -0.262310
  C      -3.892265      0.983447     -1.376111
  N      -3.211510     -0.073296     -1.785362
  C      -3.306361     -1.187394     -0.994629
  C      -2.617222     -2.364112     -1.373117
  C      -2.703726     -3.504225     -0.593960
  C      -3.482054     -3.509001      0.583762
  C      -4.163969     -2.371654      0.978607
  C      -4.089568     -1.185199      0.204598
  C      -3.607387      6.396915      5.534036
  C      -3.242778      7.197108      4.274974
  C      -4.016237      6.745277      3.035832
  C      -5.507669      6.953047      3.134762
  N      -5.968129      7.821700      4.036782
  C      -7.309677      7.914457      4.189664
  N      -8.247638      7.203217      3.585247
  C      -7.803765      6.323826      2.635771
  C      -8.740588      5.490455      1.976223
  C      -8.312954      4.588566      1.015105
  C      -6.946309      4.495260      0.672295
  C      -6.006153      5.291076      1.310858
  C      -6.409728      6.198597      2.325420
  C      -6.310365      2.889083      7.295151
  C      -6.773658      4.353038      7.274161
  C      -8.249911      4.566892      7.613886
  C      -9.267659      4.140668      6.585432
  N      -8.869652      3.508780      5.471453
  C      -9.810717      3.146826      4.566791
  N     -11.116518      3.314462      4.650593
  C     -11.563508      3.963754      5.776478
  C     -12.947502      4.188705      5.934773
  C     -13.429147      4.839797      7.063088
  C     -12.542069      5.285161      8.059884
  C     -11.175351      5.079320      7.929137
  C     -10.655278      4.414065      6.790577
  H      -2.843774      1.188448      2.270637
  H      -4.161241      2.352998      2.463413
  H      -5.361130      0.591535      3.905313
  H      -4.176153     -0.589872      3.310765
  H      -6.226940     -0.656625      1.931435
  H      -6.166954      1.103006      1.684330
  H      -3.832929      1.875835     -2.008557
  H      -2.028100     -2.338693     -2.291009
  H      -2.171905     -4.409369     -0.892608
  H      -3.547879     -4.418341      1.183562
  H      -4.767856     -2.390219      1.886430
  H      -4.700408      6.325069      5.604395
  H      -3.278293      6.969733      6.422367
  H      -2.161473      7.112195      4.080238
  H      -3.456102      8.258064      4.469892
  H      -3.640983      7.279463      2.144337
  H      -3.824715      5.677190      2.843681
  H      -7.650351      8.641737      4.933862
  H      -9.791101      5.576363      2.257078
  H      -9.036869      3.940885      0.517636
  H      -6.625232      3.778462     -0.085166
  H      -4.953279      5.202731      1.045152
  H      -6.554604      2.454624      8.281436
  H      -6.873862      2.312650      6.546306
  H      -6.169016      4.918453      8.002079
  H      -6.556713      4.789100      6.289173
  H      -8.491167      4.068840      8.571793
  H      -8.408104      5.642983      7.809964
  H      -9.427623      2.643051      3.671844
  H     -13.615370      3.835357      5.147843
  H     -14.501232      5.008229      7.178920
  H     -12.931447      5.795907      8.942310
  H     -10.499896      5.430560      8.709650
  N      -5.408844      3.543328      4.396291
  N      -6.579825      3.352174      3.852803
  H      -7.405042      3.448309      4.521202
  H      -6.712236      3.758525      2.923112
99
Coordinates from ORCA-job orca E -6259.110388714861
  N      -3.124178      1.953269      4.220733
  Mo     -3.969831      3.302670      5.410493
  N      -4.877137      2.716990      7.061424
  C      -4.067410      2.382601      8.227818
  C      -2.737464      1.805571      7.762213
  N      -2.180308      2.647870      6.675161
  C      -1.267483      1.888292      5.780467
  C      -2.085020      1.089767      4.774479
  C      -1.558057      3.899434      7.184673
  C      -1.679061      4.991093      6.123735
  N      -3.064740      5.054621      5.649078
  H      -1.416194      0.733316      3.969434
  H      -2.510303      0.182269      5.247611
  H      -0.657528      2.625145      5.239852
  H      -0.590154      1.245681      6.370084
  H      -1.381462      5.954253      6.573575
  H      -0.970366      4.802998      5.295126
  H      -2.124746      4.207466      8.073831
  H      -0.510725      3.715061      7.483510
  H      -4.579157      1.626622      8.850314
  H      -3.906799      3.267743      8.876333
  H      -2.914467      0.806481      7.339975
  H      -2.016104      1.711341      8.593084
  C      -3.665697      1.527999      2.934611
  C      -4.690805      0.394807      3.036263
  C      -5.532444      0.256227      1.750355
  C      -4.717584      0.078519      0.501745
  N      -4.590913      1.142927     -0.297426
  C      -3.810624      1.002456     -1.397860
  N      -3.142290     -0.067683     -1.792929
  C      -3.270252     -1.177564     -1.000958
  C      -2.596884     -2.367758     -1.365056
  C      -2.716766     -3.504000     -0.584389
  C      -3.513789     -3.490793      0.580581
  C      -4.181061     -2.339854      0.961291
  C      -4.072519     -1.157096      0.185508
  C      -3.619478      6.397159      5.523170
  C      -3.241966      7.171054      4.251500
  C      -4.007189      6.697893      3.015123
  C      -5.497782      6.917918      3.096104
  N      -5.958358      7.811217      3.973625
  C      -7.300281      7.922335      4.109305
  N      -8.239780      7.212155      3.506269
  C      -7.795307      6.306973      2.581523
  C      -8.735705      5.474585      1.926046
  C      -8.308537      4.546169      0.990248
  C      -6.938392      4.422806      0.671101
  C      -5.994879      5.215951      1.308072
  C      -6.398944      6.153833      2.294801
  C      -6.318398      2.883712      7.311741
  C      -6.777570      4.348804      7.303266
  C      -8.252639      4.562831      7.648918
  C      -9.274302      4.147524      6.619422
  N      -8.880078      3.527536      5.497080
  C      -9.823421      3.180677      4.589062
  N     -11.128828      3.348794      4.678409
  C     -11.572157      3.982788      5.814629
  C     -12.955641      4.204519      5.980971
  C     -13.433720      4.840084      7.119855
  C     -12.543408      5.273338      8.118982
  C     -11.176878      5.070517      7.980424
  C     -10.660673      4.419972      6.831691
  H      -2.836237      1.229069      2.265347
  H      -4.150700      2.396551      2.464338
  H      -5.378457      0.629984      3.863036
  H      -4.191235     -0.555497      3.280414
  H      -6.230266     -0.587393      1.870739
  H      -6.133533      1.170582      1.626840
  H      -3.723889      1.891186     -2.032314
  H      -1.992587     -2.355755     -2.273321
  H      -2.196961     -4.419556     -0.872234
  H      -3.606105     -4.396949      1.181729
  H      -4.799496     -2.345144      1.859426
  H      -4.713292      6.328997      5.586805
  H      -3.295472      6.986043      6.402931
  H      -2.159625      7.076956      4.066742
  H      -3.451213      8.236720      4.423300
  H      -3.620504      7.211718      2.116617
  H      -3.820258      5.625134      2.846538
  H      -7.640640      8.664849      4.838414
  H      -9.788430      5.582307      2.190576
  H      -9.035665      3.900677      0.494569
  H      -6.617474      3.684834     -0.065886
  H      -4.939805      5.103583      1.061050
  H      -6.561888      2.442705      8.295319
  H      -6.885184      2.314272      6.559967
  H      -6.169677      4.906931      8.034149
  H      -6.563218      4.794055      6.321741
  H      -8.492647      4.058149      8.603629
  H      -8.408011      5.637921      7.853004
  H      -9.443711      2.686062      3.687627
  H     -13.626151      3.860776      5.192040
  H     -14.505534      5.005600      7.242185
  H     -12.930073      5.772067      9.009430
  H     -10.498830      5.411697      8.763154
  N      -5.424296      3.541761      4.415714
  N      -6.596364      3.349009      3.878359
  H      -7.420378      3.458755      4.548440
  H      -6.730027      3.736165      2.940534
99
Coordinates from ORCA-job orca E -6259.110523019636
  N      -3.136493      1.964117      4.221199
  Mo     -3.986085      3.300457      5.420931
  N      -4.888857      2.708299      7.072671
  C      -4.075672      2.367648      8.234461
  C      -2.746399      1.794599      7.761792
  N      -2.192881      2.643758      6.678232
  C      -1.279244      1.890618      5.778887
  C      -2.096320      1.097216      4.767936
  C      -1.574833      3.895239      7.193423
  C      -1.700027      4.992823      6.138974
  N      -3.085429      5.053070      5.662457
  H      -1.427904      0.747864      3.959544
  H      -2.520172      0.185880      5.234530
  H      -0.669711      2.631228      5.242943
  H      -0.601195      1.245118      6.364465
  H      -1.408219      5.954589      6.595723
  H      -0.988801      4.813930      5.310430
  H      -2.141822      4.196067      8.084809
  H      -0.526655      3.713420      7.490424
  H      -4.585034      1.606864      8.853139
  H      -3.914402      3.248691      8.888421
  H      -2.923664      0.797796      7.334288
  H      -2.022910      1.696413      8.590325
  C      -3.670373      1.558982      2.925401
  C      -4.699283      0.427986      3.001927
  C      -5.516905      0.301435      1.699729
  C      -4.680998      0.111104      0.466867
  N      -4.526156      1.171453     -0.333323
  C      -3.727677      1.016967     -1.418773
  N      -3.066728     -0.063303     -1.798724
  C      -3.223762     -1.168995     -1.006152
  C      -2.560673     -2.369354     -1.355110
  C      -2.709881     -3.501762     -0.573651
  C      -3.526953     -3.474022      0.576968
  C      -4.184928     -2.312788      0.942838
  C      -4.046322     -1.133708      0.166114
  C      -3.635006      6.394719      5.511629
  C      -3.244913      7.147216      4.231117
  C      -3.999963      6.655793      2.995706
  C      -5.489991      6.883418      3.059182
  N      -5.952722      7.796196      3.915332
  C      -7.294996      7.919922      4.034580
  N      -8.233898      7.209835      3.430639
  C      -7.786673      6.284027      2.527779
  C      -8.727759      5.451493      1.873633
  C      -8.298639      4.502721      0.959325
  C      -6.925491      4.356747      0.662913
  C      -5.981362      5.148009      1.301335
  C      -6.388180      6.109836      2.263888
  C      -6.328640      2.879228      7.328827
  C      -6.782347      4.345766      7.335668
  C      -8.255798      4.561245      7.687883
  C      -9.282705      4.159685      6.657857
  N      -8.894763      3.554066      5.525210
  C      -9.842011      3.225889      4.614459
  N     -11.146569      3.397369      4.710870
  C     -11.583847      4.013907      5.859001
  C     -12.966101      4.235220      6.034938
  C     -13.438169      4.853465      7.186053
  C     -12.542854      5.270054      8.187578
  C     -11.177095      5.067323      8.039772
  C     -10.667223      4.433111      6.879134
  H      -2.837084      1.270118      2.256564
  H      -4.151147      2.436323      2.466618
  H      -5.401950      0.661176      3.816415
  H      -4.207211     -0.525078      3.250074
  H      -6.229587     -0.531832      1.805452
  H      -6.103339      1.224123      1.565037
  H      -3.616564      1.902062     -2.054547
  H      -1.940251     -2.368219     -2.252527
  H      -2.197826     -4.425165     -0.850073
  H      -3.642679     -4.377082      1.178758
  H      -4.819276     -2.307579      1.829757
  H      -4.729580      6.328991      5.567276
  H      -3.316917      6.996744      6.384700
  H      -2.161296      7.047139      4.056953
  H      -3.452436      8.216037      4.383798
  H      -3.602876      7.154090      2.093004
  H      -3.814805      5.579953      2.846286
  H      -7.636993      8.674044      4.750839
  H      -9.782515      5.575828      2.122241
  H      -9.026620      3.859075      0.462431
  H      -6.602787      3.603604     -0.057822
  H      -4.924408      5.017179      1.072106
  H      -6.570544      2.430766      8.309474
  H      -6.899900      2.318035      6.574288
  H      -6.170604      4.894675      8.070327
  H      -6.569900      4.801269      6.358363
  H      -8.494568      4.049374      8.639012
  H      -8.406501      5.635297      7.901242
  H      -9.467386      2.742105      3.705115
  H     -13.640635      3.904712      5.243792
  H     -14.509196      5.018221      7.316074
  H     -12.924850      5.755640      9.087252
  H     -10.495086      5.395329      8.824687
  N      -5.444312      3.538379      4.433324
  N      -6.617699      3.343235      3.902392
  H      -7.439790      3.470169      4.573508
  H      -6.752263      3.710005      2.956407
99
Coordinates from ORCA-job orca E -6259.110675720014
  N      -3.146514      1.976107      4.216088
  Mo     -3.999445      3.301250      5.423857
  N      -4.899363      2.701614      7.074936
  C      -4.084255      2.355920      8.233739
  C      -2.754969      1.786801      7.755740
  N      -2.204206      2.642080      6.675301
  C      -1.289716      1.894934      5.772137
  C      -2.105837      1.106522      4.756909
  C      -1.589256      3.892917      7.195453
  C      -1.717166      4.994910      6.147006
  N      -3.101710      5.053941      5.669493
  H      -1.437156      0.763307      3.946244
  H      -2.529078      0.192028      5.217576
  H      -0.680624      2.638798      5.240293
  H      -0.611286      1.246930      6.354467
  H      -1.428992      5.955290      6.609198
  H      -1.004435      4.822641      5.318203
  H      -2.156289      4.188053      8.088650
  H      -0.540401      3.712775      7.490861
  H      -4.591945      1.591054      8.848770
  H      -3.923121      3.233412      8.892522
  H      -2.931773      0.791937      7.323558
  H      -2.030041      1.685314      8.582559
  C      -3.672992      1.586867      2.912527
  C      -4.704216      0.456652      2.968423
  C      -5.499749      0.337204      1.651826
  C      -4.643068      0.130869      0.435689
  N      -4.454567      1.185939     -0.365271
  C      -3.636696      1.013702     -1.433505
  N      -2.986277     -0.079039     -1.796025
  C      -3.177626     -1.178927     -1.002825
  C      -2.528060     -2.391539     -1.334014
  C      -2.711818     -3.518361     -0.551491
  C      -3.551041     -3.472377      0.582334
  C      -4.196608     -2.298716      0.930699
  C      -4.022606     -1.125145      0.152680
  C      -3.645472      6.395728      5.503936
  C      -3.245476      7.133917      4.217800
  C      -3.995391      6.632125      2.983630
  C      -5.484679      6.865999      3.037810
  N      -5.946882      7.790184      3.882420
  C      -7.288906      7.921894      3.993633
  N      -8.228319      7.212515      3.389658
  C      -7.781453      6.274722      2.498773
  C      -8.724117      5.443775      1.845124
  C      -8.295860      4.483812      0.941939
  C      -6.921614      4.323790      0.657614
  C      -5.975901      5.112464      1.297239
  C      -6.382488      6.087643      2.246708
  C      -6.337417      2.875498      7.334654
  C      -6.785985      4.343151      7.356619
  C      -8.258361      4.558233      7.712987
  C      -9.289595      4.167166      6.682924
  N      -8.907574      3.574356      5.540914
  C      -9.860381      3.257234      4.631845
  N     -11.164479      3.428071      4.737335
  C     -11.595396      4.030964      5.895059
  C     -12.976735      4.249619      6.081821
  C     -13.442238      4.854076      7.242917
  C     -12.541145      5.259483      8.243816
  C     -11.176206      5.059006      8.085527
  C     -10.672941      4.438251      6.914758
  H      -2.835779      1.306299      2.245344
  H      -4.150323      2.470156      2.462144
  H      -5.419660      0.688106      3.772238
  H      -4.217579     -0.498157      3.220563
  H      -6.225723     -0.485907      1.746127
  H      -6.071135      1.266715      1.503638
  H      -3.497081      1.893965     -2.070390
  H      -1.889790     -2.404311     -2.218747
  H      -2.209987     -4.451293     -0.814330
  H      -3.694168     -4.371015      1.184895
  H      -4.848667     -2.279446      1.804503
  H      -4.740434      6.333201      5.554261
  H      -3.330311      7.005329      6.372822
  H      -2.161461      7.027943      4.049976
  H      -3.449505      8.204950      4.358570
  H      -3.591569      7.119736      2.078030
  H      -3.812962      5.554311      2.846103
  H      -7.630599      8.682925      4.702734
  H      -9.779567      5.578582      2.085064
  H      -9.025418      3.842951      0.443699
  H      -6.599178      3.563140     -0.055636
  H      -4.918266      4.969897      1.077989
  H      -6.579069      2.417950      8.311204
  H      -6.911629      2.323812      6.575626
  H      -6.171874      4.882544      8.096272
  H      -6.573647      4.809505      6.383410
  H      -8.495604      4.039649      8.660788
  H      -8.406658      5.630712      7.934458
  H      -9.491548      2.783140      3.715095
  H     -13.655918      3.927999      5.290980
  H     -14.512570      5.016595      7.381286
  H     -12.917988      5.734607      9.151222
  H     -10.489539      5.378247      8.869939
  N      -5.461838      3.539387      4.443258
  N      -6.638259      3.346238      3.917629
  H      -7.458328      3.487970      4.589102
  H      -6.770923      3.698935      2.965087
99
Coordinates from ORCA-job orca E -6259.110844300723
  N      -3.158375      1.987479      4.211118
  Mo     -4.014318      3.301546      5.426702
  N      -4.911447      2.694744      7.077191
  C      -4.094551      2.343811      8.232946
  C      -2.765458      1.778363      7.749883
  N      -2.217365      2.639657      6.672799
  C      -1.301879      1.898436      5.765901
  C      -2.116993      1.115189      4.745991
  C      -1.605442      3.889757      7.198106
  C      -1.735600      4.996329      6.155392
  N      -3.119392      5.054262      5.676250
  H      -1.447983      0.778239      3.933099
  H      -2.539603      0.197473      5.200525
  H      -0.693208      2.645628      5.238277
  H      -0.623151      1.247949      6.345049
  H      -1.451149      5.955232      6.623103
  H      -1.021024      4.830736      5.326687
  H      -2.172777      4.179273      8.092919
  H      -0.556061      3.711127      7.492328
  H      -4.600827      1.575018      8.844257
  H      -3.933355      3.217681      8.896542
  H      -2.941847      0.785468      7.313031
  H      -2.039152      1.673581      8.575035
  C      -3.676938      1.614867      2.899480
  C      -4.709428      0.485180      2.933991
  C      -5.482114      0.372757      1.603236
  C      -4.604777      0.151362      0.404434
  N      -4.383333      1.201453     -0.395371
  C      -3.545905      1.013147     -1.445557
  N      -2.905194     -0.090779     -1.791532
  C      -3.130205     -1.185333     -0.999715
  C      -2.493223     -2.408938     -1.314156
  C      -2.710946     -3.530606     -0.532614
  C      -3.572609     -3.468118      0.583309
  C      -4.206610     -2.283294      0.915184
  C      -3.997878     -1.114812      0.137964
  C      -3.657153      6.396074      5.494683
  C      -3.245819      7.119800      4.203673
  C      -3.988868      6.607314      2.969896
  C      -5.477462      6.847270      3.012022
  N      -5.940351      7.784512      3.842144
  C      -7.282238      7.924239      3.942753
  N      -8.221250      7.213760      3.339432
  C      -7.773420      6.262079      2.463695
  C      -8.716396      5.429993      1.812173
  C      -8.287463      4.456424      0.923744
  C      -6.911984      4.283154      0.653157
  C      -5.965986      5.072285      1.292052
  C      -6.373707      6.062536      2.225567
  C      -6.347947      2.872020      7.340753
  C      -6.790639      4.340901      7.378804
  C      -8.261493      4.556666      7.740783
  C      -9.297958      4.177468      6.711374
  N      -8.922774      3.599291      5.559219
  C      -9.881345      3.294217      4.652063
  N     -11.184858      3.463988      4.767625
  C     -11.608708      4.051583      5.935753
  C     -12.988904      4.267204      6.134291
  C     -13.447194      4.856125      7.306280
  C     -12.539870      5.248887      8.306503
  C     -11.175858      5.051033      8.136811
  C     -10.679892      4.445591      6.954921
  H      -2.835486      1.343435      2.234078
  H      -4.151352      2.504050      2.457931
  H      -5.437824      0.714286      3.726759
  H      -4.227877     -0.471183      3.189884
  H      -6.220587     -0.440481      1.685403
  H      -6.038685      1.308959      1.442129
  H      -3.378436      1.888945     -2.081915
  H      -1.836940     -2.434337     -2.185344
  H      -2.218611     -4.472078     -0.782642
  H      -3.742620     -4.362667      1.184997
  H      -4.876589     -2.251314      1.774918
  H      -4.752585      6.336742      5.538217
  H      -3.345892      7.013407      6.359512
  H      -2.161160      7.008361      4.043824
  H      -3.446837      8.192861      4.332183
  H      -3.576827      7.083792      2.062034
  H      -3.809081      5.527603      2.845008
  H      -7.624689      8.694116      4.641891
  H      -9.772754      5.575012      2.041913
  H      -9.017460      3.815819      0.425772
  H      -6.588600      3.513161     -0.049748
  H      -4.907654      4.919234      1.083319
  H      -6.589479      2.405293      8.313045
  H      -6.925541      2.330364      6.577256
  H      -6.173191      4.870168      8.122922
  H      -6.578953      4.817885      6.410008
  H      -8.496955      4.031081      8.685109
  H      -8.406289      5.627662      7.971132
  H      -9.518613      2.830997      3.727386
  H     -13.673127      3.955601      5.343782
  H     -14.516702      5.016109      7.453720
  H     -12.911072      5.712097      9.222358
  H     -10.484151      5.360347      8.920734
  N      -5.480987      3.539977      4.453519
  N      -6.660128      3.349075      3.933654
  H      -7.478093      3.505563      4.605453
  H      -6.790981      3.686491      2.974864
99
Coordinates from ORCA-job orca E -6259.111016455281
  N      -3.173972      1.998343      4.205008
  Mo     -4.031031      3.302087      5.428605
  N      -4.924490      2.688384      7.078933
  C      -4.105359      2.331055      8.230905
  C      -2.776952      1.768891      7.741744
  N      -2.231790      2.636422      6.668093
  C      -1.316122      1.901264      5.756618
  C      -2.131098      1.123508      4.732556
  C      -1.622181      3.885351      7.198802
  C      -1.754669      4.996947      6.162356
  N      -3.137862      5.054291      5.682021
  H      -1.462501      0.793296      3.916684
  H      -2.552475      0.202386      5.180981
  H      -0.708154      2.651789      5.232960
  H      -0.636757      1.248034      6.331874
  H      -1.473594      5.954093      6.635842
  H      -1.038611      4.838265      5.333459
  H      -2.189308      4.169131      8.095560
  H      -0.572223      3.707720      7.491357
  H      -4.610289      1.558193      8.838217
  H      -3.943304      3.200734      8.899787
  H      -2.953639      0.778258      7.299913
  H      -2.048832      1.660175      8.564735
  C      -3.685230      1.642917      2.885705
  C      -4.716409      0.511858      2.898502
  C      -5.464933      0.404574      1.553610
  C      -4.566742      0.168986      0.372948
  N      -4.314457      1.213463     -0.425794
  C      -3.457362      1.009689     -1.457077
  N      -2.824540     -0.104245     -1.785567
  C      -3.081284     -1.192881     -0.995169
  C      -2.455072     -2.426302     -1.292049
  C      -2.704960     -3.542244     -0.511582
  C      -3.588936     -3.463806      0.585556
  C      -4.213039     -2.268931      0.900163
  C      -3.971544     -1.106160      0.123772
  C      -3.669784      6.396101      5.486048
  C      -3.246532      7.107725      4.191979
  C      -3.980971      6.585645      2.957165
  C      -5.469121      6.829753      2.986397
  N      -5.934003      7.779137      3.801904
  C      -7.275791      7.925403      3.890997
  N      -8.213311      7.212992      3.287591
  C      -7.763245      6.248377      2.427152
  C      -8.705353      5.414288      1.777159
  C      -8.274401      4.427897      0.903677
  C      -6.897598      4.243298      0.647438
  C      -5.952410      5.033674      1.286336
  C      -6.362568      6.038038      2.203876
  C      -6.359333      2.869449      7.346642
  C      -6.795691      4.339516      7.401755
  C      -8.264821      4.556132      7.769849
  C      -9.306793      4.189612      6.741190
  N      -8.938794      3.628050      5.578239
  C      -9.903287      3.336475      4.672863
  N     -11.206115      3.504931      4.799088
  C     -11.622579      4.074996      5.978469
  C     -13.001545      4.286930      6.189463
  C     -13.452272      4.858106      7.373177
  C     -12.538494      5.236680      8.372925
  C     -11.175516      5.042053      8.191169
  C     -10.687217      4.454077      6.997302
  H      -2.839586      1.383485      2.221056
  H      -4.159283      2.537275      2.454752
  H      -5.458612      0.737635      3.679343
  H      -4.238388     -0.445016      3.158930
  H      -6.214215     -0.399930      1.623169
  H      -6.008153      1.346117      1.379348
  H      -3.263624      1.880435     -2.092952
  H      -1.780943     -2.463936     -2.149063
  H      -2.220760     -4.491368     -0.748208
  H      -3.784340     -4.353788      1.186326
  H      -4.900790     -2.224656      1.745174
  H      -4.765648      6.339394      5.521699
  H      -3.363390      7.019804      6.348063
  H      -2.161018      6.992315      4.041085
  H      -3.445744      8.182275      4.309733
  H      -3.560321      7.052893      2.048421
  H      -3.802633      5.504589      2.843268
  H      -7.620165      8.703305      4.580221
  H      -9.762746      5.568216      1.996038
  H      -9.003861      3.786758      0.405561
  H      -6.572183      3.464651     -0.045099
  H      -4.893275      4.871692      1.088415
  H      -6.601007      2.392933      8.314205
  H      -6.940448      2.338659      6.578351
  H      -6.174545      4.858009      8.150321
  H      -6.584882      4.827666      6.437761
  H      -8.498595      4.023481      8.710541
  H      -8.405716      5.625601      8.009263
  H      -9.546983      2.885770      3.739546
  H     -13.690989      3.986612      5.399121
  H     -14.520872      5.015040      7.530197
  H     -12.903806      5.686248      9.297902
  H     -10.478629      5.340216      8.974801
  N      -5.502304      3.541794      4.463852
  N      -6.684170      3.353934      3.949707
  H      -7.499646      3.526334      4.621518
  H      -6.812926      3.675391      2.984778
99
Coordinates from ORCA-job orca E -6259.111217167334
  N      -3.191879      2.006859      4.195436
  Mo     -4.048951      3.301475      5.426561
  N      -4.939022      2.680414      7.076157
  C      -4.118373      2.316188      8.224690
  C      -2.790749      1.756946      7.729470
  N      -2.248021      2.630790      6.659440
  C      -1.332380      1.901851      5.743255
  C      -2.147181      1.129999      4.715176
  C      -1.639883      3.877814      7.195790
  C      -1.773617      4.994312      6.165817
  N      -3.155961      5.052568      5.684271
  H      -1.478905      0.806721      3.896391
  H      -2.567083      0.205359      5.157429
  H      -0.725382      2.655822      5.223495
  H      -0.652343      1.245878      6.314508
  H      -1.494910      5.949434      6.644932
  H      -1.056299      4.841630      5.336757
  H      -2.206752      4.156320      8.094330
  H      -0.589520      3.700300      7.486848
  H      -4.622562      1.539605      8.827852
  H      -3.955157      3.181525      8.898930
  H      -2.967933      0.768768      7.282382
  H      -2.060936      1.643844      8.550317
  C      -3.696353      1.666088      2.869682
  C      -4.722022      0.529932      2.864381
  C      -5.448750      0.421428      1.507426
  C      -4.530543      0.174766      0.344368
  N      -4.253930      1.213483     -0.454635
  C      -3.377778      0.997036     -1.467216
  N      -2.747490     -0.123898     -1.776861
  C      -3.028890     -1.206284     -0.986156
  C      -2.407040     -2.446326     -1.263696
  C      -2.681792     -3.556065     -0.482364
  C      -3.586966     -3.464508      0.596128
  C      -4.207370     -2.262764      0.891694
  C      -3.940647     -1.106269      0.114105
  C      -3.680118      6.395661      5.477708
  C      -3.244631      7.097046      4.181751
  C      -3.973558      6.569626      2.946179
  C      -5.460482      6.821681      2.965987
  N      -5.923025      7.782497      3.770006
  C      -7.264009      7.938571      3.850554
  N      -8.203037      7.227170      3.248266
  C      -7.755362      6.250347      2.400206
  C      -8.699868      5.417984      1.751731
  C      -8.271394      4.420850      0.888966
  C      -6.894520      4.223756      0.642265
  C      -5.946922      5.011723      1.280966
  C      -6.354938      6.027402      2.187215
  C      -6.371790      2.865904      7.347596
  C      -6.800534      4.337360      7.417568
  C      -8.267426      4.555668      7.792615
  C      -9.315744      4.201163      6.766115
  N      -8.956179      3.655596      5.592528
  C      -9.928130      3.374455      4.691711
  N     -11.230144      3.540681      4.830348
  C     -11.637732      4.095189      6.020096
  C     -13.015159      4.303516      6.244934
  C     -13.456714      4.858842      7.439581
  C     -12.535188      5.224848      8.436867
  C     -11.173623      5.033357      8.241685
  C     -10.694481      4.461341      7.036355
  H      -2.846661      1.419872      2.205435
  H      -4.172969      2.563201      2.448565
  H      -5.476449      0.750328      3.635042
  H      -4.243190     -0.425323      3.129284
  H      -6.203553     -0.378604      1.567269
  H      -5.983523      1.364615      1.319628
  H      -3.163453      1.862421     -2.103814
  H      -1.716075     -2.494169     -2.106695
  H      -2.200787     -4.510389     -0.704123
  H      -3.801886     -4.349582      1.197512
  H      -4.911865     -2.208148      1.722233
  H      -4.776367      6.343577      5.506391
  H      -3.376478      7.023175      6.337911
  H      -2.158810      6.975633      4.038353
  H      -3.439432      8.173197      4.291402
  H      -3.544626      7.027893      2.036655
  H      -3.799994      5.487059      2.841144
  H      -7.606707      8.725506      4.530390
  H      -9.757337      5.582253      1.962577
  H      -9.002830      3.781929      0.390854
  H      -6.570561      3.438709     -0.043958
  H      -4.887936      4.840306      1.089835
  H      -6.613989      2.380753      8.310816
  H      -6.956691      2.345910      6.575083
  H      -6.174685      4.845787      8.169013
  H      -6.590794      4.834518      6.456962
  H      -8.498619      4.016330      8.730063
  H      -8.404152      5.623408      8.040949
  H      -9.579537      2.935530      3.749959
  H     -13.710857      4.013130      5.456359
  H     -14.524142      5.012902      7.607112
  H     -12.893306      5.662192      9.370479
  H     -10.470492      5.321805      9.023326
  N      -5.524922      3.544324      4.470366
  N      -6.710587      3.362393      3.962064
  H      -7.523228      3.548336      4.633988
  H      -6.836894      3.670651      2.991699
99
Coordinates from ORCA-job orca E -6259.111443199964
  N      -3.211513      2.013164      4.184033
  Mo     -4.067971      3.299674      5.422070
  N      -4.955824      2.671018      7.070253
  C      -4.134821      2.299455      8.216016
  C      -2.807979      1.742594      7.715599
  N      -2.266813      2.622529      6.649485
  C      -1.351044      1.899578      5.728997
  C      -2.165485      1.134145      4.696599
  C      -1.659391      3.867005      7.191758
  C      -1.792387      4.988157      6.167984
  N      -3.173425      5.048819      5.684206
  H      -1.497153      0.817332      3.875454
  H      -2.584535      0.206229      5.132590
  H      -0.744570      2.656790      5.213414
  H      -0.670905      1.240611      6.296584
  H      -1.515373      5.940984      6.652784
  H      -1.073374      4.840503      5.339329
  H      -2.226452      4.141067      8.091516
  H      -0.609010      3.688639      7.482169
  H      -4.639186      1.519576      8.814724
  H      -3.970387      3.160350      8.895663
  H      -2.985715      0.756962      7.263148
  H      -2.076900      1.624845      8.534607
  C      -3.709339      1.684865      2.852587
  C      -4.727117      0.541561      2.832187
  C      -5.433774      0.427372      1.464838
  C      -4.495949      0.173956      0.318807
  N      -4.201436      1.208266     -0.480186
  C      -3.306863      0.984018     -1.474769
  N      -2.673593     -0.140318     -1.766128
  C      -2.972451     -1.217766     -0.974918
  C      -2.348214     -2.460673     -1.233347
  C      -2.640194     -3.565396     -0.450810
  C      -3.565520     -3.465800      0.609531
  C      -4.188890     -2.260990      0.886175
  C      -3.904773     -1.109583      0.107104
  C      -3.686798      6.394065      5.465839
  C      -3.237688      7.082014      4.166862
  C      -3.965423      6.550699      2.932498
  C      -5.449961      6.817117      2.945265
  N      -5.904677      7.791537      3.738034
  C      -7.243961      7.962690      3.812383
  N      -8.188411      7.254557      3.214683
  C      -7.748844      6.263273      2.379023
  C      -8.699944      5.435180      1.734996
  C      -8.279533      4.425828      0.882191
  C      -6.904098      4.212433      0.641043
  C      -5.950043      4.995664      1.276358
  C      -6.350185      6.023602      2.172381
  C      -6.386331      2.861892      7.345129
  C      -6.806243      4.335069      7.428487
  C      -8.270265      4.556105      7.811977
  C      -9.325865      4.213464      6.788951
  N      -8.975808      3.683080      5.605114
  C      -9.956181      3.410024      4.710867
  N     -11.257190      3.573452      4.863074
  C     -11.654724      4.114208      6.062404
  C     -13.030268      4.319388      6.301917
  C     -13.461391      4.860828      7.506663
  C     -12.531184      5.215552      8.499960
  C     -11.171393      5.026743      8.290536
  C     -10.702619      4.469103      7.074367
  H      -2.855522      1.451640      2.189219
  H      -4.189817      2.583100      2.439638
  H      -5.492377      0.755326      3.594094
  H      -4.244562     -0.410575      3.101664
  H      -6.189309     -0.372360      1.516801
  H      -5.964747      1.369238      1.263701
  H      -3.077857      1.845184     -2.111976
  H      -1.641382     -2.514900     -2.062709
  H      -2.157138     -4.522012     -0.657751
  H      -3.793824     -4.346924      1.211812
  H      -4.909095     -2.199877      1.702762
  H      -4.783451      6.349564      5.488195
  H      -3.383717      7.025591      6.323239
  H      -2.152329      6.950261      4.029866
  H      -3.423653      8.160541      4.267455
  H      -3.527951      6.996583      2.020805
  H      -3.801790      5.465771      2.837714
  H      -7.580397      8.761783      4.481195
  H      -9.756308      5.613117      1.940222
  H      -9.016168      3.790778      0.386768
  H      -6.586087      3.419785     -0.039400
  H      -4.892339      4.812040      1.089090
  H      -6.629619      2.369073      8.304248
  H      -6.975404      2.352787      6.568805
  H      -6.174304      4.833884      8.181146
  H      -6.598236      4.839354      6.470185
  H      -8.498063      4.010152      8.746375
  H      -8.402291      5.621967      8.069523
  H      -9.616174      2.982423      3.760875
  H     -13.732977      4.037917      5.516327
  H     -14.527375      5.012562      7.685199
  H     -12.881097      5.642110      9.441644
  H     -10.461205      5.306586      9.068869
  N      -5.548494      3.547490      4.474410
  N      -6.738672      3.374544      3.972690
  H      -7.548030      3.571362      4.645531
  H      -6.863349      3.671735      2.997739
99
Coordinates from ORCA-job orca E -6259.111684350722
  N      -3.235556      2.016076      4.173372
  Mo     -4.090263      3.295242      5.418191
  N      -4.975694      2.659643      7.065346
  C      -4.154449      2.279929      8.208039
  C      -2.828875      1.724815      7.702217
  N      -2.289223      2.610760      6.640172
  C      -1.373594      1.893656      5.715216
  C      -2.188064      1.134826      4.678579
  C      -1.682067      3.852397      7.188513
  C      -1.813399      4.978274      6.170786
  N      -3.192960      5.041870      5.683909
  H      -1.519932      0.824400      3.854940
  H      -2.606243      0.203710      5.108360
  H      -0.767511      2.653977      5.203810
  H      -0.693429      1.231512      6.278975
  H      -1.538110      5.928656      6.661493
  H      -1.092233      4.835570      5.342993
  H      -2.249489      4.122348      8.089265
  H      -0.631865      3.672685      7.478652
  H      -4.659419      1.496962      8.802155
  H      -3.988137      3.136066      8.893261
  H      -3.007693      0.741900      7.244319
  H      -2.096397      1.602045      8.519182
  C      -3.726967      1.700222      2.836446
  C      -4.734230      0.547923      2.801207
  C      -5.420115      0.426218      1.423793
  C      -4.462111      0.172559      0.294388
  N      -4.157245      1.205035     -0.503613
  C      -3.244527      0.979911     -1.481254
  N      -2.601756     -0.143335     -1.756178
  C      -2.910019     -1.218495     -0.965298
  C      -2.275836     -2.459761     -1.206473
  C      -2.576670     -3.562119     -0.423644
  C      -3.521136     -3.461698      0.619436
  C      -4.154891     -2.258368      0.878915
  C      -3.861969     -1.109383      0.099419
  C      -3.693399      6.389142      5.449225
  C      -3.228669      7.058830      4.145774
  C      -3.956432      6.522393      2.913828
  C      -5.437517      6.808073      2.917830
  N      -5.881429      7.799662      3.695957
  C      -7.218305      7.990120      3.762853
  N      -8.170207      7.286050      3.172113
  C      -7.741729      6.276544      2.352507
  C      -8.701611      5.452965      1.716008
  C      -8.292174      4.427618      0.876733
  C      -6.919030      4.193833      0.641696
  C      -5.956488      4.972067      1.270684
  C      -6.345745      6.015875      2.153113
  C      -6.403683      2.857466      7.344584
  C      -6.813007      4.332764      7.441284
  C      -8.273340      4.558413      7.835048
  C      -9.337349      4.229354      6.816371
  N      -8.998144      3.713762      5.622467
  C      -9.987384      3.450594      4.735018
  N     -11.286937      3.613287      4.901087
  C     -11.673129      4.140720      6.109923
  C     -13.046200      4.345166      6.364272
  C     -13.465620      4.873451      7.578942
  C     -12.525980      5.215154      8.567895
  C     -11.168460      5.026589      8.344086
  C     -10.711399      4.482590      7.117250
  H      -2.869019      1.481860      2.173576
  H      -4.213202      2.598782      2.432207
  H      -5.510731      0.753272      3.554117
  H      -4.245794     -0.399810      3.075652
  H      -6.172204     -0.377143      1.467036
  H      -5.951878      1.364443      1.210632
  H      -3.007412      1.839003     -2.118295
  H      -1.554103     -2.514810     -2.022854
  H      -2.085715     -4.517525     -0.617157
  H      -3.756216     -4.340941      1.221888
  H      -4.889917     -2.196548      1.682233
  H      -4.790467      6.353856      5.464528
  H      -3.390464      7.026736      6.302111
  H      -2.144219      6.913626      4.016048
  H      -3.402991      8.140277      4.234344
  H      -3.508746      6.951784      1.999114
  H      -3.806416      5.434491      2.832542
  H      -7.546010      8.804435      4.417574
  H      -9.756169      5.647895      1.914998
  H      -9.035644      3.796521      0.386473
  H      -6.609373      3.390455     -0.030064
  H      -4.900728      4.773199      1.087668
  H      -6.648112      2.357719      8.299870
  H      -6.997991      2.359632      6.565129
  H      -6.173362      4.821514      8.193915
  H      -6.607370      4.843297      6.484947
  H      -8.497689      4.005878      8.766355
  H      -8.398850      5.622459      8.102310
  H      -9.656905      3.033940      3.776910
  H     -13.756518      4.073967      5.581911
  H     -14.529743      5.024832      7.768580
  H     -12.866686      5.631493      9.517501
  H     -10.450618      5.296514      9.118867
  N      -5.575541      3.549011      4.479787
  N      -6.770317      3.386345      3.985549
  H      -7.576078      3.594480      4.659519
  H      -6.893825      3.671256      3.006062
99
Coordinates from ORCA-job orca E -6259.111943871964
  N      -3.261811      2.016369      4.164511
  Mo     -4.114553      3.288886      5.415431
  N      -4.997707      2.647096      7.061710
  C      -4.176661      2.258612      8.201375
  C      -2.852438      1.705043      7.690509
  N      -2.314228      2.596941      6.632727
  C      -1.398464      1.885688      5.703583
  C      -2.212783      1.133141      4.662811
  C      -1.707449      3.835755      7.187199
  C      -1.836210      4.966068      6.175094
  N      -3.213898      5.032747      5.683881
  H      -1.544748      0.828841      3.836909
  H      -2.630146      0.199007      5.086609
  H      -0.792798      2.649063      5.196289
  H      -0.718267      1.220594      6.263733
  H      -1.562940      5.914083      6.671650
  H      -1.112220      4.828078      5.348826
  H      -2.275698      4.101960      8.088531
  H      -0.657635      3.654600      7.477753
  H      -4.682690      1.472660      8.790585
  H      -4.008318      3.109714      8.892401
  H      -3.032287      0.724862      7.227182
  H      -2.118666      1.577259      8.505489
  C      -3.746895      1.712219      2.822490
  C      -4.741522      0.549445      2.773042
  C      -5.406980      0.419447      1.386305
  C      -4.428952      0.171345      0.272684
  N      -4.118775      1.204872     -0.522341
  C      -3.188242      0.984919     -1.484048
  N      -2.531793     -0.133817     -1.745276
  C      -2.844184     -1.209611     -0.956717
  C      -2.195269     -2.445876     -1.183551
  C      -2.499559     -3.548796     -0.402564
  C      -3.462400     -3.453918      0.623953
  C      -4.111181     -2.255469      0.869091
  C      -3.814995     -1.105980      0.091475
  C      -3.699683      6.381596      5.428551
  C      -3.218409      7.027883      4.118874
  C      -3.947666      6.484687      2.890882
  C      -5.424143      6.793902      2.884330
  N      -5.854638      7.804792      3.645559
  C      -7.188340      8.017769      3.704115
  N      -8.149323      7.319056      3.121655
  C      -7.734576      6.289351      2.320180
  C      -8.705034      5.471402      1.692773
  C      -8.309223      4.428326      0.868659
  C      -6.939249      4.171247      0.639903
  C      -5.966567      4.943009      1.261505
  C      -6.342225      6.004403      2.128736
  C      -6.422928      2.853222      7.345731
  C      -6.820041      4.330899      7.455980
  C      -8.276095      4.562490      7.860959
  C      -9.349045      4.248492      6.847054
  N      -9.021432      3.747687      5.643211
  C     -10.019839      3.495253      4.762928
  N     -11.317628      3.658030      4.943164
  C     -11.691706      4.172382      6.161349
  C     -13.061905      4.377208      6.430728
  C     -13.468892      4.892651      7.655127
  C     -12.519391      5.220468      8.639320
  C     -11.164488      5.030994      8.400943
  C     -10.719905      4.500370      7.163619
  H      -2.884803      1.509825      2.160127
  H      -4.240357      2.610185      2.426740
  H      -5.528938      0.744480      3.517453
  H      -4.245283     -0.392919      3.052017
  H      -6.152298     -0.390534      1.420349
  H      -5.943062      1.352329      1.162779
  H      -2.947332      1.844326     -2.119251
  H      -1.459371     -2.496841     -1.987462
  H      -1.997032     -4.500383     -0.584876
  H      -3.700029     -4.333568      1.224835
  H      -4.860469     -2.197963      1.659535
  H      -4.797088      6.356844      5.436612
  H      -3.396063      7.027546      6.274806
  H      -2.135449      6.866427      3.996910
  H      -3.378518      8.112583      4.192301
  H      -3.488473      6.893200      1.972266
  H      -3.814727      5.393462      2.826510
  H      -7.505104      8.849113      4.342697
  H      -9.757049      5.685775      1.885140
  H      -9.060918      3.802205      0.384588
  H      -6.639972      3.356072     -0.022350
  H      -4.913426      4.726440      1.083064
  H      -6.668866      2.346902      8.297192
  H      -7.023161      2.367333      6.563423
  H      -6.171759      4.808877      8.208026
  H      -6.616715      4.847259      6.501585
  H      -8.497207      4.003043      8.788868
  H      -8.393797      5.624592      8.138633
  H      -9.699487      3.089657      3.796728
  H     -13.780157      4.116915      5.651909
  H     -14.530871      5.044603      7.856011
  H     -12.850288      5.626786      9.596712
  H     -10.438681      5.290291      9.171912
  N      -5.604668      3.549228      4.486488
  N      -6.804060      3.398452      3.999925
  H      -7.606258      3.619965      4.674245
  H      -6.924995      3.668783      3.015410
99
Coordinates from ORCA-job orca E -6259.112192220165
  N      -3.286670      2.015982      4.159044
  Mo     -4.138332      3.282320      5.414885
  N      -5.020320      2.635778      7.060470
  C      -4.200160      2.238358      8.197456
  C      -2.877191      1.686050      7.682642
  N      -2.339793      2.583328      6.629227
  C      -1.423162      1.877177      5.697077
  C      -2.236847      1.130458      4.651878
  C      -1.733801      3.819779      7.189560
  C      -1.859011      4.954040      6.181935
  N      -3.234465      5.023464      5.684762
  H      -1.568475      0.831456      3.824404
  H      -2.654107      0.193789      5.069932
  H      -0.817336      2.643188      5.193969
  H      -0.743480      1.209384      6.254534
  H      -1.588292      5.900031      6.683866
  H      -1.131254      4.820257      5.358166
  H      -2.303635      4.082816      8.090822
  H      -0.684663      3.637344      7.481608
  H      -4.707822      1.449619      8.781472
  H      -4.030010      3.084374      8.894322
  H      -3.057889      0.708451      7.214199
  H      -2.142566      1.553573      8.496063
  C      -3.764795      1.723865      2.811693
  C      -4.747424      0.551805      2.747201
  C      -5.392166      0.415828      1.351322
  C      -4.394655      0.175493      0.253199
  N      -4.079025      1.212344     -0.535553
  C      -3.131398      1.000455     -1.481952
  N      -2.462141     -0.113098     -1.733153
  C      -2.778912     -1.191946     -0.950370
  C      -2.116301     -2.422697     -1.166965
  C      -2.424401     -3.528632     -0.391503
  C      -3.404911     -3.442309      0.618791
  C      -4.067664     -2.249327      0.853621
  C      -3.767887     -1.096873      0.081700
  C      -3.705112      6.372671      5.404027
  C      -3.207668      6.989792      4.086086
  C      -3.939837      6.436430      2.864363
  C      -5.410747      6.771260      2.845145
  N      -5.826309      7.803634      3.585992
  C      -7.156210      8.040737      3.634921
  N      -8.127090      7.347485      3.062298
  C      -7.727532      6.295681      2.282003
  C      -8.709420      5.483304      1.665458
  C      -8.328765      4.420709      0.859096
  C      -6.962665      4.138276      0.637976
  C      -5.979150      4.903136      1.251114
  C      -6.339559      5.984215      2.100279
  C      -6.442904      2.850924      7.349210
  C      -6.827213      4.330844      7.474053
  C      -8.278950      4.568626      7.889961
  C      -9.360322      4.270720      6.880358
  N      -9.043705      3.786123      5.666557
  C     -10.050421      3.545753      4.792470
  N     -11.346426      3.707987      4.986233
  C     -11.709122      4.207584      6.213939
  C     -13.076463      4.411940      6.497730
  C     -13.471844      4.912887      7.731996
  C     -12.513227      5.226082      8.712022
  C     -11.160841      5.036499      8.459685
  C     -10.727965      4.520748      7.211862
  H      -2.898396      1.536546      2.150668
  H      -4.264467      2.621721      2.423856
  H      -5.545635      0.736285      3.482874
  H      -4.244286     -0.385725      3.030102
  H      -6.130822     -0.400521      1.374980
  H      -5.932264      1.344074      1.118971
  H      -2.886668      1.862219     -2.112529
  H      -1.366799     -2.467201     -1.958597
  H      -1.911131     -4.475978     -0.565810
  H      -3.645389     -4.324265      1.215160
  H      -4.830714     -2.198573      1.631299
  H      -4.802766      6.358715      5.404776
  H      -3.400270      7.029992      6.240944
  H      -2.126725      6.810349      3.972185
  H      -3.352016      8.077746      4.140496
  H      -3.468860      6.819572      1.940772
  H      -3.825853      5.341958      2.821102
  H      -7.460712      8.890425      4.255112
  H      -9.758299      5.718770      1.850177
  H      -9.089308      3.799905      0.382052
  H      -6.674756      3.310322     -0.013362
  H      -4.929232      4.666944      1.078359
  H      -6.690841      2.337906      8.296578
  H      -7.049150      2.377557      6.563922
  H      -6.170549      4.797239      8.226014
  H      -6.625481      4.853358      6.522408
  H      -8.497517      4.001525      8.813801
  H      -8.388407      5.628553      8.178936
  H      -9.739467      3.152471      3.818178
  H     -13.802040      4.163171      5.721936
  H     -14.531732      5.064718      7.943724
  H     -12.834940      5.621112      9.677247
  H     -10.427690      5.284538      9.227411
  N      -5.632779      3.549064      4.494824
  N      -6.836246      3.410289      4.016212
  H      -7.634432      3.647266      4.690661
  H      -6.955396      3.662684      3.026423
99
Coordinates from ORCA-job orca E -6259.112445160508
  N      -3.312486      2.014908      4.155047
  Mo     -4.162480      3.276266      5.414779
  N      -5.043137      2.625977      7.059951
  C      -4.224280      2.219139      8.194339
  C      -2.902711      1.667685      7.675703
  N      -2.365891      2.569855      6.626354
  C      -1.448580      1.868194      5.691531
  C      -2.262069      1.126993      4.642648
  C      -1.760227      3.803916      7.192036
  C      -1.881060      4.941492      6.188294
  N      -3.253947      5.014234      5.684688
  H      -1.593708      0.832622      3.813594
  H      -2.679527      0.188244      5.055554
  H      -0.842343      2.636310      5.192181
  H      -0.769600      1.197722      6.246558
  H      -1.612590      5.885595      6.695134
  H      -1.149406      4.811113      5.367297
  H      -2.331605      4.064626      8.093003
  H      -0.711891      3.619840      7.485823
  H      -4.733995      1.427701      8.772863
  H      -4.052249      3.059783      8.897259
  H      -3.084623      0.692655      7.202388
  H      -2.167194      1.530458      8.487466
  C      -3.784046      1.734287      2.802826
  C      -4.754023      0.552593      2.723812
  C      -5.377719      0.409912      1.319160
  C      -4.361360      0.178489      0.236338
  N      -4.042225      1.218848     -0.546645
  C      -3.078522      1.015805     -1.478362
  N      -2.395910     -0.091911     -1.719816
  C      -2.715333     -1.173983     -0.942465
  C      -2.038564     -2.398630     -1.149179
  C      -2.348769     -3.507784     -0.378915
  C      -3.345528     -3.430764      0.615976
  C      -4.022600     -2.243806      0.840892
  C      -3.721165     -1.088272      0.074178
  C      -3.707411      6.363536      5.376658
  C      -3.193704      6.948461      4.049899
  C      -3.930645      6.385813      2.835201
  C      -5.394897      6.748550      2.804215
  N      -5.792581      7.801736      3.525826
  C      -7.117656      8.064997      3.566468
  N      -8.100189      7.379530      3.004325
  C      -7.718923      6.306701      2.243713
  C      -8.714298      5.502432      1.638566
  C      -8.351993      4.421579      0.847932
  C      -6.991005      4.112487      0.632043
  C      -5.994606      4.867665      1.236559
  C      -6.336522      5.967013      2.069763
  C      -6.462954      2.850666      7.353101
  C      -6.834495      4.332661      7.491974
  C      -8.281957      4.576250      7.918232
  C      -9.371039      4.293153      6.912777
  N      -9.064265      3.827127      5.688863
  C     -10.078593      3.598717      4.820412
  N     -11.373023      3.757646      5.027592
  C     -11.725512      4.239370      6.265386
  C     -13.090370      4.439724      6.563671
  C     -13.475278      4.923250      7.808207
  C     -12.508357      5.222465      8.784396
  C     -11.158187      5.036217      8.518001
  C     -10.735882      4.538181      7.259329
  H      -2.913529      1.562325      2.143233
  H      -4.290468      2.631657      2.422852
  H      -5.563076      0.726571      3.450265
  H      -4.243752     -0.379615      3.011608
  H      -6.108722     -0.413460      1.332739
  H      -5.922861      1.332685      1.077989
  H      -2.831540      1.880039     -2.104656
  H      -1.276542     -2.436097     -1.929137
  H      -1.824429     -4.450443     -0.545530
  H      -3.587425     -4.315145      1.208173
  H      -4.798298     -2.200265      1.606432
  H      -4.805156      6.362070      5.370344
  H      -3.399786      7.032717      6.202985
  H      -2.115546      6.748893      3.944138
  H      -3.320028      8.039408      4.084203
  H      -3.448313      6.742098      1.906729
  H      -3.837705      5.288610      2.813264
  H      -7.407388      8.932419      4.168996
  H      -9.759008      5.759990      1.817346
  H      -9.122988      3.808166      0.378176
  H      -6.716954      3.272972     -0.010348
  H      -4.948819      4.610633      1.067733
  H      -6.713557      2.330997      8.296139
  H      -7.074775      2.389946      6.564635
  H      -6.169859      4.787678      8.243856
  H      -6.634024      4.861124      6.543113
  H      -8.498266      4.002217      8.838265
  H      -8.383715      5.634059      8.217519
  H      -9.776284      3.220911      3.837276
  H     -13.822611      4.202170      5.790623
  H     -14.533333      5.072237      8.030843
  H     -12.821785      5.603912      9.757787
  H     -10.418400      5.273396      9.282807
  N      -5.661355      3.550278      4.504075
  N      -6.868930      3.425688      4.032966
  H      -7.663040      3.679595      4.706435
  H      -6.984493      3.658234      3.037752
99
Coordinates from ORCA-job orca E -6259.112669361175
  N      -3.339296      2.012239      4.150584
  Mo     -4.186183      3.271038      5.412760
  N      -5.067114      2.618954      7.058239
  C      -4.250047      2.202579      8.190258
  C      -2.930451      1.650158      7.668304
  N      -2.392752      2.555689      6.622444
  C      -1.475449      1.856342      5.685881
  C      -2.289638      1.120794      4.633827
  C      -1.785806      3.787198      7.192541
  C      -1.900622      4.927480      6.191379
  N      -3.270875      5.004849      5.681157
  H      -1.621625      0.829395      3.803530
  H      -2.708573      0.180932      5.042397
  H      -0.867671      2.625283      5.189718
  H      -0.798192      1.182818      6.239230
  H      -1.633099      5.869896      6.701977
  H      -1.165202      4.798584      5.373425
  H      -2.358559      4.047096      8.092880
  H      -0.738600      3.600309      7.488459
  H      -4.762791      1.409447      8.763735
  H      -4.075289      3.038067      8.898676
  H      -3.114807      0.677631      7.190777
  H      -2.194274      1.507869      8.478542
  C      -3.804151      1.743647      2.793347
  C      -4.762538      0.553841      2.698963
  C      -5.362253      0.404805      1.284654
  C      -4.325688      0.182670      0.219086
  N      -4.001584      1.227408     -0.556106
  C      -3.020868      1.034396     -1.471673
  N      -2.325176     -0.067299     -1.703722
  C      -2.648668     -1.153566     -0.933773
  C      -1.958151     -2.372007     -1.131083
  C      -2.271921     -3.485318     -0.368069
  C      -3.285987     -3.418694      0.609824
  C      -3.976972     -2.237916      0.825313
  C      -3.672472     -1.078390      0.065827
  C      -3.707148      6.353926      5.347170
  C      -3.178570      6.906665      4.012218
  C      -3.921878      6.335017      2.805499
  C      -5.379427      6.723670      2.764443
  N      -5.758686      7.797855      3.465254
  C      -7.078673      8.085741      3.498883
  N      -8.073110      7.406503      2.950042
  C      -7.710693      6.312499      2.210646
  C      -8.719589      5.514638      1.619768
  C      -8.376088      4.415315      0.846086
  C      -7.020700      4.081039      0.633997
  C      -6.011409      4.828423      1.226891
  C      -6.334242      5.946178      2.042942
  C      -6.484171      2.853870      7.355823
  C      -6.842435      4.337811      7.509244
  C      -8.285615      4.587770      7.945286
  C      -9.382257      4.319476      6.944165
  N      -9.085236      3.873829      5.710035
  C     -10.106916      3.657303      4.847252
  N     -11.399776      3.811061      5.068119
  C     -11.742275      4.273076      6.316186
  C     -13.104680      4.467393      6.629233
  C     -13.479375      4.931784      7.884192
  C     -12.504373      5.217312      8.856367
  C     -11.156348      5.036296      8.575653
  C     -10.744376      4.557634      7.306027
  H      -2.929645      1.585794      2.135652
  H      -4.316016      2.641104      2.421038
  H      -5.583611      0.718649      3.414075
  H      -4.247016     -0.373419      2.993413
  H      -6.085823     -0.425166      1.286955
  H      -5.911511      1.322391      1.033796
  H      -2.770749      1.902045     -2.092012
  H      -1.182779     -2.401582     -1.898114
  H      -1.736844     -4.423192     -0.527394
  H      -3.530390     -4.306227      1.196253
  H      -4.766055     -2.202422      1.577493
  H      -4.804834      6.365002      5.334147
  H      -3.396010      7.034291      6.162863
  H      -2.103608      6.687378      3.913855
  H      -3.286830      7.999934      4.026906
  H      -3.430588      6.665185      1.872098
  H      -3.848546      5.235973      2.804329
  H      -7.353091      8.971373      4.081855
  H      -9.759728      5.793275      1.793514
  H      -9.157486      3.807966      0.385750
  H      -6.760825      3.229738      0.001404
  H      -4.970166      4.551888      1.060540
  H      -6.737790      2.327605      8.294391
  H      -7.101504      2.406102      6.564200
  H      -6.170249      4.780811      8.261565
  H      -6.642202      4.872182      6.563720
  H      -8.500122      4.007162      8.861551
  H      -8.379209      5.643503      8.254593
  H      -9.812986      3.296175      3.855326
  H     -13.843376      4.240919      5.859003
  H     -14.535630      5.076389      8.117990
  H     -12.809705      5.583881      9.838023
  H     -10.410170      5.262905      9.337470
  N      -5.688730      3.553513      4.511444
  N      -6.900180      3.443383      4.049468
  H      -7.687637      3.713174      4.724865
  H      -7.019436      3.656716      3.050269
99
Coordinates from ORCA-job orca E -6259.112909383461
  N      -3.369172      2.007604      4.144620
  Mo     -4.211258      3.265467      5.408685
  N      -5.090772      2.611782      7.054762
  C      -4.275423      2.186307      8.184476
  C      -2.958226      1.632567      7.658880
  N      -2.420294      2.540873      6.615717
  C      -1.504020      1.843393      5.676887
  C      -2.320117      1.112801      4.623357
  C      -1.811088      3.769547      7.189192
  C      -1.919615      4.911615      6.190319
  N      -3.287167      4.994685      5.674550
  H      -1.653362      0.823438      3.791437
  H      -2.740646      0.172451      5.028867
  H      -0.895118      2.612657      5.182714
  H      -0.828007      1.167049      6.228304
  H      -1.651829      5.852342      6.704089
  H      -1.181322      4.783166      5.374757
  H      -2.384531      4.029545      8.089069
  H      -0.764928      3.579379      7.486696
  H      -4.791101      1.391813      8.753393
  H      -4.097738      3.016860      8.897970
  H      -3.145472      0.662363      7.177756
  H      -2.220933      1.485380      8.467146
  C      -3.828464      1.749267      2.783289
  C      -4.774564      0.550659      2.675053
  C      -5.349402      0.393172      1.251308
  C      -4.292516      0.181162      0.203655
  N      -3.965849      1.229417     -0.566078
  C      -2.968289      1.046374     -1.465090
  N      -2.257524     -0.048259     -1.685136
  C      -2.582663     -1.137672     -0.920238
  C      -1.876148     -2.348762     -1.105193
  C      -2.190931     -3.465162     -0.346892
  C      -3.221858     -3.408930      0.613758
  C      -3.928875     -2.235383      0.816930
  C      -3.624098     -1.073032      0.061876
  C      -3.704107      6.344282      5.317009
  C      -3.161144      6.867822      3.975386
  C      -3.911019      6.292966      2.774140
  C      -5.361547      6.707196      2.726100
  N      -5.721037      7.798758      3.410983
  C      -7.035294      8.111204      3.440393
  N      -8.042336      7.440477      2.904049
  C      -7.700280      6.328962      2.181192
  C      -8.723698      5.539756      1.604140
  C      -8.400774      4.424739      0.843835
  C      -7.051759      4.066185      0.631915
  C      -6.028411      4.804351      1.212523
  C      -6.330476      5.937193      2.015588
  C      -6.504692      2.856663      7.357490
  C      -6.850145      4.342493      7.522926
  C      -8.288837      4.599230      7.968819
  C      -9.393362      4.343033      6.973261
  N      -9.105948      3.917462      5.729562
  C     -10.135156      3.710258      4.873426
  N     -11.426441      3.856592      5.108472
  C     -11.758962      4.299057      6.366368
  C     -13.118990      4.485229      6.694503
  C     -13.483517      4.931106      7.959131
  C     -12.500376      5.205535      8.926327
  C     -11.154532      5.031806      8.630936
  C     -10.752818      4.572048      7.351066
  H      -2.950427      1.605402      2.127294
  H      -4.346777      2.645776      2.418090
  H      -5.607728      0.706851      3.378143
  H      -4.253565     -0.370902      2.977907
  H      -6.063937     -0.444497      1.243138
  H      -5.903840      1.304084      0.989494
  H      -2.717131      1.916480     -2.081508
  H      -1.087788     -2.370459     -1.859134
  H      -1.643370     -4.397392     -0.496642
  H      -3.466617     -4.298754      1.196556
  H      -4.730772     -2.207762      1.555817
  H      -4.801435      6.369716      5.298225
  H      -3.387515      7.033181      6.123280
  H      -2.089919      6.628604      3.884043
  H      -3.250648      7.962833      3.973961
  H      -3.411905      6.601606      1.837554
  H      -3.856668      5.192811      2.788038
  H      -7.293156      9.012484      4.006814
  H      -9.758602      5.838466      1.775751
  H      -9.193459      3.824565      0.393522
  H      -6.807846      3.204390      0.007313
  H      -4.992167      4.509106      1.046011
  H      -6.760731      2.324871      8.292240
  H      -7.127444      2.420478      6.563638
  H      -6.170449      4.774753      8.274766
  H      -6.650363      4.881492      6.579730
  H      -8.501130      4.014380      8.882779
  H      -8.374399      5.653521      8.285307
  H      -9.849837      3.367092      3.872565
  H     -13.864146      4.267954      5.927841
  H     -14.537972      5.069918      8.204290
  H     -12.797639      5.557646      9.915733
  H     -10.402024      5.249845      9.389032
  N      -5.718872      3.557862      4.518676
  N      -6.934762      3.466252      4.064899
  H      -7.717363      3.751339      4.740001
  H      -7.051085      3.660369      3.061435
99
Coordinates from ORCA-job orca E -6259.113123200972
  N      -3.402018      1.999144      4.136088
  Mo     -4.236761      3.259036      5.401165
  N      -5.116000      2.605343      7.049088
  C      -4.302100      2.170168      8.176020
  C      -2.988163      1.613206      7.646182
  N      -2.448791      2.523093      6.605166
  C      -1.534872      1.825538      5.664191
  C      -2.354242      1.100216      4.609990
  C      -1.835283      3.748519      7.181340
  C      -1.936521      4.892354      6.184012
  N      -3.301694      4.982545      5.663258
  H      -1.689569      0.811734      3.776185
  H      -2.776810      0.159983      5.013329
  H      -0.924299      2.594158      5.171165
  H      -0.860598      1.146030      6.213788
  H      -1.666835      5.831430      6.699950
  H      -1.195959      4.762683      5.370656
  H      -2.408836      4.009698      8.080816
  H      -0.790379      3.553692      7.480240
  H      -4.821406      1.375302      8.741073
  H      -4.119977      2.995846      8.894077
  H      -3.179979      0.645505      7.161811
  H      -2.249616      1.460333      8.452204
  C      -3.856292      1.751327      2.770782
  C      -4.789207      0.543909      2.648478
  C      -5.336394      0.376462      1.214843
  C      -4.258004      0.177333      0.186645
  N      -3.931418      1.230088     -0.577127
  C      -2.916317      1.060548     -1.458623
  N      -2.187364     -0.024646     -1.666076
  C      -2.511228     -1.118250     -0.906519
  C      -1.785230     -2.319646     -1.078415
  C      -2.098119     -3.440130     -0.325188
  C      -3.146421     -3.397790      0.617116
  C      -3.872830     -2.233886      0.807346
  C      -3.570739     -1.067738      0.057110
  C      -3.701200      6.332996      5.287372
  C      -3.145639      6.832281      3.941244
  C      -3.901979      6.255508      2.744903
  C      -5.346084      6.691768      2.691075
  N      -5.686553      7.801593      3.356791
  C      -6.995283      8.136084      3.382221
  N      -8.014467      7.470473      2.862398
  C      -7.692048      6.340204      2.159838
  C      -8.729111      5.556010      1.600731
  C      -8.425791      4.424349      0.856762
  C      -7.083043      4.044384      0.643635
  C      -6.046478      4.777145      1.207673
  C      -6.328665      5.925787      1.995240
  C      -6.526666      2.860432      7.357764
  C      -6.858537      4.348043      7.535467
  C      -8.292444      4.612855      7.991071
  C      -9.404991      4.370426      7.001253
  N      -9.127906      3.965525      5.748188
  C     -10.164715      3.769336      4.898665
  N     -11.454081      3.910028      5.147546
  C     -11.776036      4.332785      6.414907
  C     -13.133279      4.512785      6.757690
  C     -13.487058      4.940093      8.031738
  C     -12.495610      5.201373      8.994057
  C     -11.152281      5.032843      8.684439
  C     -10.761420      4.591934      7.394604
  H      -2.975344      1.621557      2.115843
  H      -4.381301      2.646826      2.413392
  H      -5.635550      0.691763      3.337578
  H      -4.263235     -0.371427      2.961646
  H      -6.039964     -0.470231      1.195802
  H      -5.897283      1.279512      0.941028
  H      -2.666679      1.934161     -2.070682
  H      -0.983575     -2.330853     -1.818434
  H      -1.535394     -4.364866     -0.464838
  H      -3.389236     -4.290727      1.195957
  H      -4.687889     -2.216870      1.532043
  H      -4.798050      6.371262      5.262780
  H      -3.379814      7.027916      6.086419
  H      -2.077955      6.575963      3.855860
  H      -3.218625      7.928403      3.926976
  H      -3.396954      6.545549      1.805562
  H      -3.863777      5.154895      2.771830
  H      -7.237027      9.054360      3.928235
  H      -9.758865      5.872914      1.770696
  H      -9.228996      3.828409      0.419688
  H      -6.854384      3.171191      0.029242
  H      -5.015196      4.465956      1.039138
  H      -6.784644      2.323584      8.289075
  H      -7.155307      2.435692      6.562347
  H      -6.171321      4.769031      8.286876
  H      -6.658382      4.891001      6.594736
  H      -8.503147      4.023679      8.902507
  H      -8.368537      5.665583      8.315201
  H      -9.888370      3.443473      3.889543
  H     -13.884995      4.306302      5.994452
  H     -14.539429      5.074673      8.287966
  H     -12.784311      5.539130      9.990982
  H     -10.393369      5.240983      9.438922
  N      -5.748356      3.562854      4.522641
  N      -6.968662      3.488916      4.080347
  H      -7.742195      3.785197      4.760942
  H      -7.094709      3.668768      3.075286
99
Coordinates from ORCA-job orca E -6259.113344584524
  N      -3.429194      1.993006      4.127935
  Mo     -4.260440      3.253115      5.393447
  N      -5.139371      2.597265      7.041620
  C      -4.328032      2.153576      8.167037
  C      -3.015861      1.596096      7.635207
  N      -2.476027      2.508631      6.597224
  C      -1.562275      1.812545      5.655054
  C      -2.382983      1.090714      4.599639
  C      -1.861050      3.731713      7.176634
  C      -1.955075      4.876657      6.180377
  N      -3.317196      4.972462      5.652891
  H      -1.719077      0.802578      3.765206
  H      -2.807818      0.150811      5.001176
  H      -0.950931      2.581417      5.163455
  H      -0.889026      1.131268      6.203684
  H      -1.685043      5.814368      6.698795
  H      -1.211158      4.746402      5.370128
  H      -2.436501      3.993348      8.074778
  H      -0.817544      3.533971      7.478499
  H      -4.850420      1.357529      8.727508
  H      -4.144061      2.974723      8.889856
  H      -3.209449      0.630451      7.147426
  H      -2.276796      1.438997      8.439914
  C      -3.877315      1.753545      2.758703
  C      -4.800571      0.540051      2.623406
  C      -5.322341      0.365363      1.180973
  C      -4.224031      0.175487      0.172166
  N      -3.892031      1.232555     -0.583383
  C      -2.860373      1.073269     -1.447031
  N      -2.118617     -0.005372     -1.643228
  C      -2.446586     -1.102906     -0.891049
  C      -1.706773     -2.297451     -1.051025
  C      -2.023198     -3.421721     -0.304863
  C      -3.088897     -3.390187      0.618150
  C      -3.829215     -2.233147      0.796485
  C      -3.524121     -1.063389      0.053138
  C      -3.699758      6.323126      5.258458
  C      -3.132750      6.800768      3.908630
  C      -3.893098      6.224268      2.714628
  C      -5.330759      6.680776      2.652851
  N      -5.654584      7.806241      3.300871
  C      -6.958096      8.160422      3.321314
  N      -7.987739      7.499238      2.816451
  C      -7.682343      6.352708      2.132749
  C      -8.731214      5.572101      1.591128
  C      -8.445272      4.424984      0.863868
  C      -7.108168      4.026516      0.649927
  C      -6.060157      4.755929      1.196925
  C      -6.324849      5.918931      1.969187
  C      -6.547057      2.860303      7.356920
  C      -6.866184      4.349248      7.547134
  C      -8.295093      4.622130      8.013280
  C      -9.416072      4.394047      7.030016
  N      -9.149338      4.009612      5.768039
  C     -10.193562      3.822976      4.925595
  N     -11.480930      3.956620      5.188258
  C     -11.792298      4.360512      6.464501
  C     -13.146647      4.533754      6.821624
  C     -13.489901      4.943384      8.104390
  C     -12.490281      5.192820      9.061342
  C     -11.149506      5.030105      8.737749
  C     -10.769278      4.607330      7.438686
  H      -2.992746      1.632900      2.106985
  H      -4.406079      2.648411      2.405454
  H      -5.658153      0.681405      3.299992
  H      -4.272061     -0.370866      2.945302
  H      -6.018096     -0.487439      1.151941
  H      -5.885527      1.263159      0.895451
  H      -2.608036      1.950304     -2.053106
  H      -0.891756     -2.300498     -1.776370
  H      -1.449633     -4.341136     -0.435243
  H      -3.334017     -4.286026      1.191513
  H      -4.657206     -2.224210      1.506512
  H      -4.795962      6.373493      5.228370
  H      -3.373333      7.023576      6.050464
  H      -2.068403      6.529237      3.829509
  H      -3.190862      7.897559      3.883564
  H      -3.381232      6.498625      1.774314
  H      -3.869493      5.123527      2.751673
  H      -7.185457      9.093787      3.847692
  H      -9.756292      5.904694      1.759503
  H      -9.257675      3.831649      0.440512
  H      -6.893222      3.141955      0.047079
  H      -5.033349      4.430552      1.027529
  H      -6.805817      2.318179      8.284881
  H      -7.181471      2.446232      6.560403
  H      -6.171572      4.759032      8.297954
  H      -6.665758      4.896095      6.608822
  H      -8.503794      4.027833      8.921765
  H      -8.361234      5.673002      8.345801
  H      -9.925961      3.514830      3.908608
  H     -13.904778      4.337009      6.062154
  H     -14.540132      5.073448      8.371479
  H     -12.770521      5.516840     10.065230
  H     -10.384298      5.229312      9.488259
  N      -5.776547      3.567749      4.525525
  N      -7.000992      3.514335      4.092804
  H      -7.769661      3.821452      4.775033
  H      -7.127004      3.678113      3.085214
99
Coordinates from ORCA-job orca E -6259.113584028672
  N      -3.462555      1.980105      4.115590
  Mo     -4.285578      3.246131      5.379451
  N      -5.163270      2.588475      7.029351
  C      -4.353986      2.134209      8.152164
  C      -3.043959      1.575611      7.616482
  N      -2.503585      2.490600      6.580923
  C      -1.591919      1.795301      5.636336
  C      -2.415953      1.076095      4.582640
  C      -1.884825      3.710707      7.163039
  C      -1.971280      4.856809      6.167825
  N      -3.330617      4.959971      5.634744
  H      -1.754894      0.787851      3.746054
  H      -2.841197      0.136646      4.984565
  H      -0.981207      2.564165      5.144065
  H      -0.918399      1.112807      6.183114
  H      -1.698957      5.793146      6.687676
  H      -1.225207      4.724349      5.359908
  H      -2.461004      3.973908      8.060321
  H      -0.842720      3.508545      7.467053
  H      -4.879701      1.336932      8.707684
  H      -4.167071      2.949823      8.880498
  H      -3.240593      0.612396      7.125124
  H      -2.303616      1.413441      8.418992
  C      -3.908129      1.744811      2.744588
  C      -4.814684      0.519620      2.601342
  C      -5.312395      0.329647      1.152162
  C      -4.196143      0.155237      0.160128
  N      -3.871328      1.216006     -0.593347
  C      -2.825271      1.072713     -1.442161
  N      -2.061986      0.006713     -1.624556
  C      -2.381310     -1.094087     -0.873512
  C      -1.617959     -2.275669     -1.018485
  C      -1.925160     -3.403056     -0.273152
  C      -3.004684     -3.387997      0.634073
  C      -3.768086     -2.243888      0.797713
  C      -3.473216     -1.071363      0.054728
  C      -3.699077      6.313488      5.233408
  C      -3.121729      6.782101      3.884216
  C      -3.884808      6.212579      2.688565
  C      -5.317135      6.686016      2.623152
  N      -5.624827      7.825197      3.255731
  C      -6.923474      8.196280      3.274646
  N      -7.963699      7.536854      2.789082
  C      -7.675148      6.375965      2.122610
  C      -8.735519      5.596754      1.601873
  C      -8.466368      4.437544      0.887223
  C      -7.134636      4.026876      0.663737
  C      -6.075052      4.755099      1.190068
  C      -6.322949      5.927899      1.952736
  C      -6.567812      2.858901      7.351410
  C      -6.873651      4.348841      7.554980
  C      -8.297101      4.630536      8.031041
  C      -9.425338      4.419259      7.052882
  N      -9.167911      4.060866      5.781375
  C     -10.219019      3.887962      4.944507
  N     -11.504410      4.015530      5.219733
  C     -11.806222      4.394980      6.505655
  C     -13.157857      4.561969      6.876016
  C     -13.491269      4.948927      8.168254
  C     -12.484259      5.180952      9.121889
  C     -11.146099      5.023314      8.785441
  C     -10.775731      4.623601      7.476290
  H      -3.022027      1.637608      2.092666
  H      -4.447081      2.635353      2.396786
  H      -5.683122      0.651935      3.265999
  H      -4.278508     -0.382726      2.934779
  H      -5.993457     -0.534704      1.117537
  H      -5.885773      1.216423      0.853901
  H      -2.580906      1.952821     -2.047061
  H      -0.792550     -2.266528     -1.731921
  H      -1.333307     -4.312402     -0.391905
  H      -3.241936     -4.286279      1.206918
  H      -4.606370     -2.246997      1.495603
  H      -4.794563      6.374373      5.197306
  H      -3.369237      7.013119      6.024555
  H      -2.059984      6.499685      3.809429
  H      -3.168702      7.879400      3.857147
  H      -3.367278      6.478694      1.748982
  H      -3.873295      5.111844      2.728386
  H      -7.136467      9.145317      3.778814
  H      -9.756197      5.941021      1.773570
  H      -9.287776      3.844830      0.480775
  H      -6.933376      3.133900      0.068757
  H      -5.052225      4.421279      1.012162
  H      -6.827976      2.310469      8.275217
  H      -7.207422      2.456582      6.552929
  H      -6.171548      4.746698      8.305257
  H      -6.672306      4.899166      6.619196
  H      -8.505373      4.031042      8.936034
  H      -8.352288      5.679195      8.372525
  H      -9.959812      3.602613      3.918722
  H     -13.921754      4.379610      6.118736
  H     -14.539412      5.075018      8.445252
  H     -12.756578      5.487548     10.133402
  H     -10.375306      5.209633      9.533499
  N      -5.805308      3.574203      4.523052
  N      -7.034492      3.543948      4.102718
  H      -7.792873      3.857109      4.792238
  H      -7.172339      3.698907      3.095415
99
Coordinates from ORCA-job orca E -6259.113798304479
  N      -3.486965      1.973927      4.107906
  Mo     -4.309208      3.240407      5.370853
  N      -5.186715      2.577970      7.020112
  C      -4.380728      2.112354      8.140765
  C      -3.070396      1.557494      7.603967
  N      -2.530677      2.478153      6.573946
  C      -1.616441      1.787585      5.628308
  C      -2.439502      1.069419      4.573031
  C      -1.914436      3.697007      7.161887
  C      -1.993943      4.845273      6.168194
  N      -3.349284      4.951380      5.624693
  H      -1.778582      0.782839      3.735826
  H      -2.864500      0.129296      4.973498
  H      -1.007427      2.558884      5.137750
  H      -0.941731      1.105471      6.174093
  H      -1.724474      5.780486      6.691645
  H      -1.242217      4.714287      5.365272
  H      -2.495248      3.958595      8.056737
  H      -0.874065      3.493942      7.471247
  H      -4.909025      1.311378      8.688357
  H      -4.194662      2.921395      8.876670
  H      -3.265571      0.596701      7.107299
  H      -2.330142      1.391591      8.405807
  C      -3.926462      1.744757      2.733553
  C      -4.820364      0.511971      2.578181
  C      -5.296218      0.316569      1.122525
  C      -4.163917      0.152526      0.147020
  N      -3.836001      1.218787     -0.596822
  C      -2.776784      1.087755     -1.430759
  N      -2.001927      0.028929     -1.605909
  C      -2.323149     -1.077294     -0.863672
  C      -1.547337     -2.251676     -1.000936
  C      -1.856206     -3.384381     -0.264480
  C      -2.949817     -3.382227      0.625923
  C      -3.725647     -2.245470      0.781874
  C      -3.429591     -1.067711      0.047709
  C      -3.706819      6.303729      5.208406
  C      -3.118635      6.759423      3.859391
  C      -3.878290      6.188652      2.661931
  C      -5.306345      6.673145      2.583622
  N      -5.605731      7.825898      3.195296
  C      -6.901300      8.207722      3.205500
  N      -7.946827      7.545516      2.735009
  C      -7.666487      6.370645      2.090046
  C      -8.732503      5.587007      1.587837
  C      -8.471799      4.413598      0.893266
  C      -7.142746      3.994225      0.670660
  C      -6.077723      4.726814      1.179345
  C      -6.317187      5.912459      1.924306
  C      -6.588755      2.854461      7.349647
  C      -6.880309      4.344385      7.574191
  C      -8.298283      4.634461      8.061323
  C      -9.433497      4.448357      7.086785
  N      -9.184784      4.119766      5.805528
  C     -10.241244      3.968063      4.971538
  N     -11.524621      4.092048      5.257419
  C     -11.817684      4.443203      6.553448
  C     -13.166501      4.606549      6.935127
  C     -13.491310      4.966574      8.237394
  C     -12.478015      5.174319      9.189886
  C     -11.142339      5.019216      8.842439
  C     -10.780706      4.646629      7.522865
  H      -3.037079      1.648391      2.084386
  H      -4.472000      2.632757      2.389353
  H      -5.698369      0.634944      3.232158
  H      -4.279922     -0.385414      2.918154
  H      -5.969611     -0.553379      1.079589
  H      -5.872406      1.198733      0.814762
  H      -2.532081      1.972666     -2.028628
  H      -0.711196     -2.232858     -1.701553
  H      -1.254584     -4.288062     -0.377269
  H      -3.187888     -4.284650      1.191864
  H      -4.574315     -2.258064      1.466906
  H      -4.801724      6.370396      5.163382
  H      -3.377511      7.007808      5.995669
  H      -2.058208      6.470094      3.792476
  H      -3.158706      7.856789      3.825653
  H      -3.352192      6.445036      1.724461
  H      -3.874754      5.088051      2.708664
  H      -7.106744      9.169856      3.687358
  H      -9.750896      5.939792      1.755958
  H      -9.297561      3.817103      0.501535
  H      -6.948222      3.091008      0.089312
  H      -5.057012      4.386260      1.002115
  H      -6.850670      2.296095      8.266895
  H      -7.233731      2.467435      6.547694
  H      -6.171123      4.725737      8.326411
  H      -6.676786      4.902984      6.644405
  H      -8.507815      4.024223      8.958721
  H      -8.340468      5.678823      8.418359
  H      -9.988934      3.707041      3.937577
  H     -13.935270      4.443755      6.178317
  H     -14.537377      5.090606      8.522993
  H     -12.743323      5.460117     10.209331
  H     -10.366765      5.187041      9.589923
  N      -5.832171      3.579672      4.523491
  N      -7.064213      3.572403      4.113458
  H      -7.815839      3.899200      4.804457
  H      -7.205200      3.707085      3.104414
99
Coordinates from ORCA-job orca E -6259.114029854257
  N      -3.511252      1.960395      4.097124
  Mo     -4.332238      3.231399      5.356147
  N      -5.208198      2.562430      7.004578
  C      -4.405519      2.086307      8.123330
  C      -3.093374      1.537806      7.586004
  N      -2.555572      2.464688      6.561269
  C      -1.638035      1.780152      5.614497
  C      -2.459440      1.059535      4.559909
  C      -1.943002      3.683095      7.154583
  C      -2.017094      4.833236      6.162000
  N      -3.368704      4.941001      5.608743
  H      -1.799271      0.774934      3.721461
  H      -2.880861      0.118203      4.961246
  H      -1.033696      2.554983      5.123742
  H      -0.959426      1.101056      6.159257
  H      -1.750630      5.767853      6.688063
  H      -1.260300      4.703633      5.363648
  H      -2.528527      3.942940      8.047013
  H      -0.904134      3.480139      7.469287
  H      -4.935389      1.280671      8.662380
  H      -4.222391      2.888845      8.867126
  H      -3.284880      0.578851      7.084376
  H      -2.353159      1.369975      8.387488
  C      -3.948206      1.729841      2.722063
  C      -4.821793      0.483222      2.561762
  C      -5.281722      0.275715      1.102837
  C      -4.137525      0.127513      0.138773
  N      -3.817062      1.199378     -0.599569
  C      -2.747726      1.085521     -1.422969
  N      -1.955402      0.038698     -1.591386
  C      -2.268085     -1.073117     -0.854011
  C      -1.473216     -2.235606     -0.983967
  C      -1.773347     -3.373697     -0.252428
  C      -2.876691     -3.389389      0.625905
  C      -3.670998     -2.264652      0.774759
  C      -3.384580     -1.081741      0.045159
  C      -3.722692      6.295397      5.193412
  C      -3.126335      6.755772      3.849539
  C      -3.878591      6.191714      2.644016
  C      -5.304508      6.681557      2.556178
  N      -5.599969      7.843072      3.153217
  C      -6.893870      8.230522      3.157039
  N      -7.942376      7.563622      2.699473
  C      -7.666013      6.379546      2.070128
  C      -8.734768      5.589851      1.583364
  C      -8.478059      4.407660      0.902050
  C      -7.150015      3.987088      0.675795
  C      -6.082165      4.725897      1.169050
  C      -6.317734      5.918167      1.904170
  C      -6.607812      2.843935      7.341543
  C      -6.883765      4.333107      7.588349
  C      -8.295532      4.633816      8.086145
  C      -9.436774      4.476884      7.114220
  N      -9.195871      4.181543      5.823686
  C     -10.256934      4.056903      4.991153
  N     -11.538240      4.180716      5.286116
  C     -11.823373      4.500273      6.592050
  C     -13.169391      4.663575      6.983446
  C     -13.486246      4.993644      8.295528
  C     -12.467430      5.170482      9.248407
  C     -11.134448      5.014283      8.891516
  C     -10.780856      4.671747      7.561654
  H      -3.057529      1.647611      2.072609
  H      -4.507241      2.610383      2.380301
  H      -5.706971      0.592105      3.208777
  H      -4.270057     -0.404951      2.907919
  H      -5.941677     -0.604304      1.057293
  H      -5.868344      1.148280      0.786403
  H      -2.511285      1.975414     -2.016863
  H      -0.629829     -2.203514     -1.675337
  H      -1.156964     -4.268075     -0.359596
  H      -3.107227     -4.296068      1.188123
  H      -4.526778     -2.290094      1.450449
  H      -4.817259      6.363827      5.140138
  H      -3.396647      6.996455      5.984611
  H      -2.065461      6.466727      3.788251
  H      -3.166577      7.853291      3.820258
  H      -3.344360      6.449876      1.711683
  H      -3.878070      5.090930      2.687205
  H      -7.095136      9.203139      3.619445
  H      -9.752275      5.945756      1.750530
  H      -9.305973      3.805900      0.523256
  H      -6.958870      3.078141      0.102524
  H      -5.062038      4.385098      0.988278
  H      -6.872414      2.274379      8.251027
  H      -7.257457      2.473906      6.535130
  H      -6.167367      4.696541      8.342657
  H      -6.676646      4.899302      6.664980
  H      -8.508638      4.012981      8.975246
  H      -8.322357      5.673329      8.459360
  H     -10.010829      3.823233      3.949095
  H     -13.942347      4.525601      6.225973
  H     -14.530165      5.118482      8.588491
  H     -12.726219      5.433217     10.275701
  H     -10.354789      5.158560      9.639652
  N      -5.858855      3.581693      4.518275
  N      -7.093823      3.599890      4.119402
  H      -7.836296      3.936465      4.814199
  H      -7.242485      3.716616      3.110131
99
Coordinates from ORCA-job orca E -6259.114192148348
  N      -3.533316      1.954861      4.085796
  Mo     -4.354218      3.226998      5.343897
  N      -5.228478      2.549463      6.990800
  C      -4.428456      2.059917      8.105794
  C      -3.114001      1.519671      7.566939
  N      -2.578715      2.455045      6.549393
  C      -1.657020      1.779291      5.600221
  C      -2.476135      1.057652      4.544497
  C      -1.971368      3.672570      7.150739
  C      -2.040981      4.827017      6.161713
  N      -3.388887      4.934990      5.598273
  H      -1.816646      0.777753      3.703924
  H      -2.892814      0.113619      4.944399
  H      -1.057416      2.558942      5.111279
  H      -0.974201      1.102339      6.142537
  H      -1.779739      5.760006      6.693193
  H      -1.278197      4.702248      5.368259
  H      -2.562053      3.928294      8.041115
  H      -0.933886      3.470234      7.470616
  H      -4.959543      1.247674      8.633575
  H      -4.248914      2.853713      8.859821
  H      -3.301165      0.563372      7.058683
  H      -2.373796      1.349033      8.367818
  C      -3.967760      1.726132      2.709468
  C      -4.820248      0.466075      2.541256
  C      -5.264912      0.249752      1.079326
  C      -4.111136      0.111644      0.125685
  N      -3.795595      1.186500     -0.609490
  C      -2.718616      1.084042     -1.424284
  N      -1.913982      0.045663     -1.586209
  C      -2.221532     -1.069551     -0.851900
  C      -1.413757     -2.223912     -0.975317
  C      -1.708854     -3.365322     -0.247119
  C      -2.819513     -3.392730      0.621759
  C      -3.626258     -2.276193      0.764300
  C      -3.345769     -1.090171      0.037415
  C      -3.742797      6.289306      5.182565
  C      -3.136722      6.754267      3.845096
  C      -3.877171      6.189777      2.631868
  C      -5.303386      6.677244      2.531810
  N      -5.601327      7.847138      3.110800
  C      -6.895334      8.233886      3.105475
  N      -7.942811      7.557915      2.658585
  C      -7.663870      6.365268      2.047489
  C      -8.731116      5.564850      1.574922
  C      -8.472002      4.372249      0.912509
  C      -7.142948      3.953539      0.689441
  C      -6.076558      4.703347      1.168617
  C      -6.314433      5.904583      1.887918
  C      -6.625924      2.836613      7.335082
  C      -6.886550      4.323582      7.611136
  C      -8.293335      4.631632      8.118179
  C      -9.437601      4.508445      7.145059
  N      -9.200190      4.250915      5.846352
  C     -10.262313      4.161468      5.010764
  N     -11.542266      4.287539      5.310313
  C     -11.823985      4.567995      6.625966
  C     -13.168413      4.731151      7.022958
  C     -13.481893      5.023547      8.344712
  C     -12.461177      5.162178      9.301963
  C     -11.129804      5.005204      8.939636
  C     -10.779722      4.700089      7.599792
  H      -3.076016      1.661616      2.059355
  H      -4.541275      2.599688      2.372707
  H      -5.712770      0.559332      3.180865
  H      -4.257607     -0.413259      2.892549
  H      -5.914845     -0.637521      1.031275
  H      -5.859298      1.114508      0.754300
  H      -2.487851      1.976775     -2.016166
  H      -0.564876     -2.183108     -1.659443
  H      -1.082506     -4.253337     -0.349372
  H      -3.045411     -4.301930      1.181731
  H      -4.487231     -2.309839      1.432933
  H      -4.837079      6.355234      5.117941
  H      -3.424989      6.989147      5.978130
  H      -2.074032      6.470051      3.792370
  H      -3.181801      7.851669      3.817418
  H      -3.334822      6.451053      1.705200
  H      -3.874304      5.088860      2.673488
  H      -7.098304      9.214253      3.550111
  H      -9.749432      5.920998      1.736641
  H      -9.298723      3.761466      0.545895
  H      -6.949918      3.037235      0.128944
  H      -5.055554      4.364529      0.989553
  H      -6.895662      2.251772      8.233215
  H      -7.279340      2.488324      6.521744
  H      -6.164690      4.665362      8.370453
  H      -6.674567      4.902929      6.698220
  H      -8.512609      3.996501      8.995450
  H      -8.306291      5.664224      8.512000
  H     -10.018495      3.960985      3.961077
  H     -13.942677      4.623837      6.261879
  H     -14.524534      5.148840      8.641945
  H     -12.717149      5.395771     10.336966
  H     -10.348899      5.119874      9.691640
  N      -5.884203      3.589005      4.516814
  N      -7.120743      3.632012      4.130611
  H      -7.851105      3.983188      4.829603
  H      -7.281334      3.724303      3.121801
99
Coordinates from ORCA-job orca E -6259.114320779137
  N      -3.540698      1.943845      4.074943
  Mo     -4.373146      3.213566      5.329449
  N      -5.246827      2.524747      6.971770
  C      -4.450990      2.027397      8.086222
  C      -3.129824      1.502009      7.551191
  N      -2.598637      2.447624      6.541906
  C      -1.666295      1.784437      5.594118
  C      -2.475696      1.056092      4.534965
  C      -2.004426      3.667239      7.151945
  C      -2.072920      4.825008      6.165013
  N      -3.416933      4.926433      5.588479
  H      -1.812405      0.782726      3.695170
  H      -2.883912      0.107698      4.933382
  H      -1.074683      2.571986      5.108042
  H      -0.976887      1.114437      6.136729
  H      -1.822078      5.757757      6.701660
  H      -1.301816      4.707703      5.378629
  H      -2.604056      3.916346      8.038348
  H      -0.968283      3.470763      7.479952
  H      -4.981133      1.207204      8.602456
  H      -4.281454      2.814957      8.849267
  H      -3.305223      0.546737      7.036823
  H      -2.391614      1.333661      8.354438
  C      -3.970931      1.708040      2.698558
  C      -4.800203      0.433089      2.529989
  C      -5.240024      0.206434      1.068372
  C      -4.080889      0.081214      0.120098
  N      -3.770245      1.162940     -0.605727
  C      -2.687364      1.075515     -1.414427
  N      -1.872334      0.045729     -1.577711
  C      -2.174462     -1.076788     -0.852428
  C      -1.355312     -2.223111     -0.977529
  C      -1.644955     -3.371379     -0.258431
  C      -2.761047     -3.414294      0.603160
  C      -3.578695     -2.306196      0.747368
  C      -3.304285     -1.113368      0.029291
  C      -3.779319      6.281657      5.181494
  C      -3.166058      6.760268      3.852773
  C      -3.891978      6.200873      2.628177
  C      -5.317247      6.687907      2.513817
  N      -5.617157      7.863755      3.079108
  C      -6.910356      8.253391      3.060659
  N      -7.956564      7.575164      2.614155
  C      -7.675487      6.375758      2.017591
  C      -8.741169      5.571397      1.548029
  C      -8.480291      4.369970      0.902368
  C      -7.150381      3.948089      0.690873
  C      -6.086049      4.703112      1.164702
  C      -6.325681      5.911582      1.870795
  C      -6.642224      2.816502      7.323913
  C      -6.885337      4.301368      7.624524
  C      -8.285379      4.621458      8.143250
  C      -9.434939      4.534249      7.173078
  N      -9.205119      4.304108      5.868201
  C     -10.269916      4.247454      5.033498
  N     -11.547165      4.383037      5.339609
  C     -11.821363      4.637674      6.662111
  C     -13.162265      4.810406      7.066174
  C     -13.468652      5.077153      8.395125
  C     -12.443849      5.179886      9.352440
  C     -11.115627      5.012687      8.983168
  C     -10.772869      4.733095      7.635800
  H      -3.077533      1.656019      2.049162
  H      -4.558416      2.571443      2.359556
  H      -5.694422      0.506857      3.169823
  H      -4.221471     -0.436277      2.880153
  H      -5.878391     -0.689198      1.022701
  H      -5.844959      1.062940      0.738506
  H      -2.461964      1.974442     -1.998970
  H      -0.502388     -2.170550     -1.655781
  H      -1.009915     -4.253045     -0.362063
  H      -2.982070     -4.328945      1.156126
  H      -4.443394     -2.351093      1.410433
  H      -4.873702      6.341209      5.107356
  H      -3.471055      6.976935      5.984703
  H      -2.100848      6.483754      3.808250
  H      -3.219306      7.857572      3.831860
  H      -3.340350      6.470549      1.709482
  H      -3.886491      5.099627      2.663122
  H      -7.113880      9.239362      3.492769
  H      -9.759837      5.931597      1.698740
  H      -9.305701      3.755198      0.539610
  H      -6.954968      3.025407      0.141992
  H      -5.064555      4.362874      0.992311
  H      -6.915323      2.219987      8.213319
  H      -7.300780      2.487400      6.506792
  H      -6.156600      4.623204      8.386000
  H      -6.668127      4.888266      6.719141
  H      -8.510144      3.972335      9.008898
  H      -8.280360      5.646221      8.558165
  H     -10.030458      4.066548      3.979307
  H     -13.939463      4.731214      6.304652
  H     -14.508675      5.210295      8.697995
  H     -12.693938      5.393606     10.393153
  H     -10.331698      5.099527      9.735803
  N      -5.905691      3.580683      4.506115
  N      -7.143032      3.644837      4.130737
  H      -7.866264      4.002172      4.833766
  H      -7.313171      3.711537      3.122424
99
Coordinates from ORCA-job orca E -6259.114420437064
  N      -3.548350      1.951346      4.056758
  Mo     -4.385955      3.217173      5.313465
  N      -5.255624      2.512273      6.949841
  C      -4.462683      2.002266      8.060667
  C      -3.135315      1.493130      7.525730
  N      -2.609221      2.451487      6.525863
  C      -1.669811      1.803805      5.574212
  C      -2.473289      1.072690      4.512345
  C      -2.024759      3.670047      7.147135
  C      -2.094618      4.835192      6.168263
  N      -3.435917      4.931573      5.584543
  H      -1.809285      0.809391      3.669782
  H      -2.871159      0.118385      4.907300
  H      -1.085685      2.599513      5.092497
  H      -0.973473      1.137127      6.112454
  H      -1.853608      5.764668      6.714868
  H      -1.318093      4.730067      5.385499
  H      -2.629377      3.910696      8.032609
  H      -0.988865      3.477082      7.478511
  H      -4.991128      1.171195      8.561196
  H      -4.303080      2.779351      8.836412
  H      -3.300591      0.540569      7.003182
  H      -2.398027      1.324381      8.329610
  C      -3.980937      1.709988      2.681945
  C      -4.785429      0.418835      2.514044
  C      -5.223159      0.180098      1.054536
  C      -4.064777      0.050055      0.107009
  N      -3.756658      1.126372     -0.626881
  C      -2.674532      1.033789     -1.436494
  N      -1.859069      0.003447     -1.593531
  C      -2.160188     -1.114566     -0.860990
  C      -1.341644     -2.262048     -0.980467
  C      -1.630689     -3.405831     -0.254345
  C      -2.744971     -3.442795      0.609914
  C      -3.561541     -2.333446      0.748821
  C      -3.288685     -1.145308      0.022186
  C      -3.813384      6.288245      5.198959
  C      -3.191327      6.797482      3.886144
  C      -3.892553      6.243478      2.643629
  C      -5.324498      6.709778      2.519143
  N      -5.644033      7.883101      3.078746
  C      -6.941735      8.255907      3.051181
  N      -7.976252      7.562595      2.600280
  C      -7.675686      6.365191      2.010318
  C      -8.728492      5.544154      1.540357
  C      -8.448682      4.339442      0.908276
  C      -7.112415      3.933486      0.706815
  C      -6.060330      4.707661      1.177073
  C      -6.318870      5.917749      1.873791
  C      -6.649900      2.806855      7.307192
  C      -6.883087      4.286956      7.640745
  C      -8.280972      4.608326      8.164358
  C      -9.429553      4.548672      7.189657
  N      -9.198269      4.345425      5.881754
  C     -10.260659      4.321276      5.042000
  N     -11.536976      4.465312      5.347525
  C     -11.812657      4.688071      6.675446
  C     -13.153327      4.864227      7.079840
  C     -13.460981      5.100057      8.414048
  C     -12.438154      5.168512      9.376940
  C     -11.110645      4.997726      9.007284
  C     -10.766815      4.748534      7.654391
  H      -3.089292      1.679290      2.028605
  H      -4.588354      2.561917      2.346997
  H      -5.681614      0.474780      3.153304
  H      -4.190832     -0.438901      2.866662
  H      -5.856221     -0.719638      1.016582
  H      -5.835062      1.028704      0.716579
  H      -2.451144      1.928846     -2.027517
  H      -0.490080     -2.214108     -1.660745
  H      -0.996322     -4.288456     -0.353906
  H      -2.964763     -4.353754      1.169338
  H      -4.424352     -2.372765      1.414730
  H      -4.907497      6.334934      5.112130
  H      -3.524015      6.972220      6.018900
  H      -2.120794      6.540876      3.852676
  H      -3.264866      7.893839      3.878928
  H      -3.333926      6.538025      1.737016
  H      -3.869987      5.142220      2.661704
  H      -7.161676      9.239483      3.479992
  H      -9.752417      5.892937      1.681818
  H      -9.264419      3.709691      0.549458
  H      -6.902007      3.006684      0.170703
  H      -5.033460      4.381136      1.010698
  H      -6.931279      2.190855      8.180523
  H      -7.308753      2.502930      6.480547
  H      -6.152815      4.587263      8.409667
  H      -6.660362      4.891632      6.749317
  H      -8.513130      3.947262      9.018702
  H      -8.268326      5.626174      8.596579
  H     -10.019672      4.167812      3.983502
  H     -13.928673      4.812744      6.314090
  H     -14.500542      5.236145      8.717183
  H     -12.689413      5.358155     10.422007
  H     -10.328546      5.057551      9.764608
  N      -5.922922      3.595058      4.502195
  N      -7.160141      3.684477      4.136383
  H      -7.874311      4.046101      4.843360
  H      -7.340035      3.722370      3.129325
99
Coordinates from ORCA-job orca E -6259.114535967239
  N      -3.551953      1.951950      4.040573
  Mo     -4.400359      3.210139      5.301056
  N      -5.267730      2.497101      6.934133
  C      -4.475960      1.975053      8.040013
  C      -3.142940      1.480667      7.504148
  N      -2.621070      2.451294      6.513933
  C      -1.673131      1.819110      5.560232
  C      -2.466682      1.084459      4.493034
  C      -2.049013      3.669243      7.146887
  C      -2.122753      4.841650      6.175711
  N      -3.461761      4.928854      5.583469
  H      -1.799038      0.834127      3.649216
  H      -2.851406      0.122523      4.882479
  H      -1.096872      2.624102      5.084563
  H      -0.970112      1.156774      6.095203
  H      -1.894906      5.768467      6.732181
  H      -1.339489      4.750510      5.398215
  H      -2.659963      3.899532      8.030752
  H      -1.013351      3.481565      7.482171
  H      -5.002653      1.134607      8.526639
  H      -4.323803      2.742792      8.826629
  H      -3.298643      0.530995      6.973520
  H      -2.406803      1.311394      8.308965
  C      -3.985249      1.705061      2.667235
  C      -4.766255      0.400426      2.500975
  C      -5.203885      0.152680      1.043076
  C      -4.045676      0.025137      0.095706
  N      -3.741741      1.101359     -0.639400
  C      -2.659580      1.011115     -1.449540
  N      -1.841733     -0.017149     -1.606516
  C      -2.138960     -1.135402     -0.872733
  C      -1.317583     -2.280962     -0.992587
  C      -1.602283     -3.424629     -0.264883
  C      -2.714769     -3.463283      0.601782
  C      -3.533997     -2.356118      0.741012
  C      -3.265910     -1.168097      0.012157
  C      -3.855841      6.285555      5.215845
  C      -3.222505      6.821058      3.919769
  C      -3.897276      6.270901      2.660689
  C      -5.332861      6.721090      2.520760
  N      -5.667067      7.895093      3.070064
  C      -6.966795      8.258964      3.025524
  N      -7.991210      7.559198      2.562097
  C      -7.676009      6.359698      1.984155
  C      -8.718408      5.530774      1.504903
  C      -8.424572      4.319970      0.891122
  C      -7.083783      3.917028      0.714933
  C      -6.042313      4.700880      1.191343
  C      -6.315083      5.917230      1.871830
  C      -6.660123      2.795911      7.297632
  C      -6.882818      4.273046      7.652290
  C      -8.277262      4.597311      8.184116
  C      -9.428623      4.561851      7.211188
  N      -9.203100      4.366797      5.901466
  C     -10.266596      4.365782      5.062696
  N     -11.539933      4.525657      5.372025
  C     -11.810053      4.739109      6.702474
  C     -13.147619      4.928446      7.110918
  C     -13.450028      5.153019      8.448293
  C     -12.425064      5.197260      9.410257
  C     -11.100297      5.013469      9.036572
  C     -10.762000      4.775166      7.680315
  H      -3.096339      1.692950      2.009061
  H      -4.609089      2.546254      2.336642
  H      -5.662046      0.438623      3.141993
  H      -4.155795     -0.446973      2.851555
  H      -5.830001     -0.752137      1.010657
  H      -5.823959      0.994304      0.701556
  H      -2.438970      1.906184     -2.041445
  H      -0.467314     -2.231379     -1.674379
  H      -0.965915     -4.305751     -0.364881
  H      -2.930874     -4.374080      1.162904
  H      -4.394830     -2.396998      1.409352
  H      -4.949512      6.317829      5.115215
  H      -3.587111      6.960402      6.050369
  H      -2.147738      6.581295      3.900778
  H      -3.313594      7.916206      3.922580
  H      -3.330608      6.587127      1.766499
  H      -3.859519      5.170261      2.666058
  H      -7.198737      9.240569      3.452463
  H      -9.745440      5.877607      1.627531
  H      -9.232160      3.683039      0.526520
  H      -6.860833      2.984106      0.194700
  H      -5.012153      4.378624      1.039871
  H      -6.944799      2.169720      8.162748
  H      -7.322688      2.508217      6.468596
  H      -6.149305      4.558402      8.423790
  H      -6.657144      4.887963      6.768871
  H      -8.512250      3.924491      9.028630
  H      -8.255483      5.607748      8.632986
  H     -10.028962      4.213414      4.003382
  H     -13.924399      4.895221      6.345638
  H     -14.487253      5.298802      8.754935
  H     -12.672265      5.377917     10.457864
  H     -10.316783      5.054073      9.793754
  N      -5.937196      3.592733      4.490936
  N      -7.173725      3.696326      4.134997
  H      -7.880861      4.054565      4.850355
  H      -7.371565      3.709737      3.130656
99
Coordinates from ORCA-job orca E -6259.114678523770
  N      -3.538953      1.963765      4.016153
  Mo     -4.400435      3.210859      5.283446
  N      -5.264302      2.489631      6.910012
  C      -4.475814      1.957116      8.012773
  C      -3.135743      1.480249      7.476945
  N      -2.618008      2.464955      6.497365
  C      -1.660381      1.851451      5.541414
  C      -2.440635      1.112397      4.466873
  C      -2.060511      3.681471      7.143735
  C      -2.142854      4.862469      6.183334
  N      -3.479574      4.936193      5.584564
  H      -1.766693      0.879652      3.622734
  H      -2.807353      0.140237      4.848690
  H      -1.093020      2.667685      5.074375
  H      -0.949829      1.193717      6.072211
  H      -1.931912      5.785602      6.752327
  H      -1.353520      4.790081      5.410509
  H      -2.677291      3.898461      8.026720
  H      -1.024290      3.500615      7.481185
  H      -4.999568      1.105962      8.483846
  H      -4.334007      2.715407      8.810399
  H      -3.279583      0.533907      6.937185
  H      -2.401926      1.310926      8.283836
  C      -3.980954      1.699551      2.648881
  C      -4.737885      0.379206      2.499712
  C      -5.191618      0.114464      1.049490
  C      -4.042953     -0.024396      0.092349
  N      -3.740161      1.044154     -0.654391
  C      -2.665522      0.940705     -1.473466
  N      -1.856396     -0.094190     -1.630582
  C      -2.153000     -1.204716     -0.884821
  C      -1.340334     -2.356567     -1.004777
  C      -1.623635     -3.492202     -0.264299
  C      -2.726126     -3.516045      0.615704
  C      -3.536912     -2.402804      0.754762
  C      -3.270066     -1.222580      0.012567
  C      -3.902184      6.294134      5.255843
  C      -3.262719      6.881771      3.985878
  C      -3.903911      6.350858      2.700929
  C      -5.347559      6.771630      2.553033
  N      -5.708308      7.934176      3.110243
  C      -7.013189      8.276799      3.053289
  N      -8.019174      7.569946      2.561637
  C      -7.677281      6.380931      1.976602
  C      -8.699867      5.545508      1.467275
  C      -8.379713      4.342691      0.851287
  C      -7.030956      3.954973      0.701720
  C      -6.009137      4.746779      1.205412
  C      -6.308763      5.956562      1.887035
  C      -6.655965      2.786543      7.275471
  C      -6.877566      4.258687      7.651662
  C      -8.272749      4.572765      8.188045
  C      -9.424708      4.549831      7.214970
  N      -9.203203      4.348211      5.905710
  C     -10.267887      4.357208      5.067968
  N     -11.538689      4.531905      5.378810
  C     -11.804844      4.749502      6.709208
  C     -13.140234      4.950821      7.119365
  C     -13.438735      5.176564      8.457339
  C     -12.412369      5.210765      9.418209
  C     -11.089522      5.016274      9.042691
  C     -10.755290      4.776747      7.685679
  H      -3.099418      1.704162      1.980268
  H      -4.625461      2.525599      2.321035
  H      -5.624876      0.402499      3.153436
  H      -4.106358     -0.455101      2.844293
  H      -5.814371     -0.793206      1.035171
  H      -5.819554      0.948658      0.704718
  H      -2.443303      1.829721     -2.073729
  H      -0.497515     -2.317677     -1.696472
  H      -0.994282     -4.378329     -0.364308
  H      -2.941239     -4.420569      1.187293
  H      -4.389691     -2.432927      1.433895
  H      -4.995182      6.303770      5.143540
  H      -3.660445      6.948260      6.115005
  H      -2.182483      6.668062      3.979626
  H      -3.381186      7.973929      4.014786
  H      -3.333829      6.712139      1.826243
  H      -3.838263      5.252412      2.674157
  H      -7.267325      9.246687      3.494290
  H      -9.732714      5.880587      1.572086
  H      -9.171905      3.700133      0.463318
  H      -6.785519      3.026686      0.183011
  H      -4.972727      4.438275      1.070456
  H      -6.943333      2.148093      8.130922
  H      -7.319212      2.513323      6.442867
  H      -6.144821      4.532971      8.427835
  H      -6.651291      4.888280      6.777808
  H      -8.505982      3.885616      9.021765
  H      -8.253316      5.575183      8.653573
  H     -10.032629      4.197347      4.009357
  H     -13.917939      4.924134      6.354788
  H     -14.474295      5.330428      8.765767
  H     -12.656822      5.391768     10.466395
  H     -10.305025      5.048594      9.799229
  N      -5.937634      3.600754      4.473308
  N      -7.173682      3.722173      4.122083
  H      -7.882688      4.062924      4.843435
  H      -7.379866      3.709378      3.118700
99
Coordinates from ORCA-job orca E -6259.114766732575
  N      -3.535179      1.980671      3.990018
  Mo     -4.405412      3.214959      5.265259
  N      -5.268205      2.485865      6.886887
  C      -4.482877      1.945230      7.987429
  C      -3.138773      1.479189      7.449527
  N      -2.622381      2.475281      6.479659
  C      -1.658303      1.876949      5.520715
  C      -2.428317      1.139104      4.438094
  C      -2.074175      3.688231      7.138660
  C      -2.162350      4.876975      6.188812
  N      -3.496828      4.943351      5.586202
  H      -1.748860      0.921511      3.594194
  H      -2.783840      0.159126      4.810694
  H      -1.097140      2.702363      5.062382
  H      -0.943257      1.220946      6.047561
  H      -1.962352      5.796439      6.767696
  H      -1.369685      4.818548      5.418455
  H      -2.694808      3.893755      8.021546
  H      -1.037684      3.510854      7.477142
  H      -5.004754      1.086796      8.447246
  H      -4.346861      2.695893      8.793140
  H      -3.276172      0.536835      6.901208
  H      -2.406630      1.306580      8.257284
  C      -3.982118      1.708014      2.625550
  C      -4.723320      0.377815      2.484458
  C      -5.180478      0.102539      1.036907
  C      -4.034146     -0.053890      0.079528
  N      -3.723667      1.005020     -0.678110
  C      -2.652485      0.884039     -1.499321
  N      -1.853978     -0.159967     -1.649573
  C      -2.157859     -1.260456     -0.891717
  C      -1.355908     -2.420513     -1.003708
  C      -1.646095     -3.546296     -0.250853
  C      -2.745245     -3.551491      0.633633
  C      -3.545796     -2.429845      0.764711
  C      -3.271573     -1.259397      0.009936
  C      -3.938430      6.302237      5.287051
  C      -3.288894      6.929334      4.041257
  C      -3.899593      6.411983      2.736125
  C      -5.348925      6.808039      2.574030
  N      -5.732647      7.966580      3.125367
  C      -7.041372      8.290833      3.051728
  N      -8.030854      7.570773      2.546035
  C      -7.665744      6.384531      1.968862
  C      -8.670519      5.535916      1.446328
  C      -8.326961      4.335197      0.838882
  C      -6.971587      3.961943      0.712183
  C      -5.967489      4.766855      1.229950
  C      -6.290900      5.976783      1.900656
  C      -6.658019      2.783007      7.256140
  C      -6.875736      4.251573      7.646392
  C      -8.269485      4.561399      8.188533
  C      -9.424755      4.545234      7.219386
  N      -9.209628      4.346014      5.908366
  C     -10.278693      4.359142      5.076078
  N     -11.547586      4.535734      5.393538
  C     -11.807016      4.751793      6.725556
  C     -13.139915      4.956022      7.142606
  C     -13.431104      5.180060      8.482482
  C     -12.399985      5.209567      9.438318
  C     -11.079409      5.012480      9.055954
  C     -10.752653      4.774889      7.696869
  H      -3.105928      1.724628      1.950240
  H      -4.640614      2.524512      2.302597
  H      -5.607433      0.393057      3.142434
  H      -4.080219     -0.447933      2.828120
  H      -5.809212     -0.801124      1.032198
  H      -5.803034      0.937644      0.685647
  H      -2.423556      1.765204     -2.108522
  H      -0.515481     -2.395562     -1.698949
  H      -1.025018     -4.438920     -0.344525
  H      -2.966036     -4.448382      1.215034
  H      -4.395908     -2.446684      1.447677
  H      -5.029965      6.295719      5.161191
  H      -3.720804      6.939332      6.165522
  H      -2.205101      6.734972      4.048962
  H      -3.427441      8.018361      4.089063
  H      -3.324818      6.804264      1.878001
  H      -3.810462      5.316393      2.689447
  H      -7.314742      9.257435      3.489168
  H      -9.708612      5.859167      1.535153
  H      -9.105472      3.683146      0.439119
  H      -6.706874      3.035275      0.199725
  H      -4.925946      4.468718      1.114268
  H      -6.945573      2.137866      8.106610
  H      -7.323327      2.518991      6.422632
  H      -6.141292      4.517145      8.424013
  H      -6.650651      4.891354      6.779280
  H      -8.500396      3.868230      9.017955
  H      -8.249179      5.560518      8.660617
  H     -10.049230      4.201857      4.015747
  H     -13.921452      4.932612      6.381825
  H     -14.464699      5.336077      8.796428
  H     -12.639018      5.389046     10.488024
  H     -10.291046      5.041262      9.808522
  N      -5.942908      3.613146      4.458833
  N      -7.178136      3.750072      4.114401
  H      -7.884694      4.075586      4.845445
  H      -7.402782      3.712781      3.115197
99
Coordinates from ORCA-job orca E -6259.114840360948
  N      -3.532773      2.002840      3.966615
  Mo     -4.404669      3.225751      5.251321
  N      -5.263916      2.491109      6.869776
  C      -4.480045      1.937250      7.964905
  C      -3.134436      1.480694      7.420431
  N      -2.619500      2.488412      6.460594
  C      -1.653382      1.902049      5.496352
  C      -2.418446      1.167881      4.407892
  C      -2.076251      3.697004      7.131144
  C      -2.170168      4.892834      6.191513
  N      -3.503354      4.955100      5.587183
  H      -1.736359      0.963982      3.562484
  H      -2.764775      0.181299      4.771532
  H      -1.096726      2.734545      5.045393
  H      -0.934815      1.245412      6.017555
  H      -1.977144      5.809157      6.777765
  H      -1.376000      4.844863      5.421932
  H      -2.698210      3.891869      8.015407
  H      -1.039135      3.520806      7.468238
  H      -5.000015      1.071480      8.412878
  H      -4.345766      2.677582      8.780247
  H      -3.270531      0.544685      6.861149
  H      -2.401560      1.300144      8.225869
  C      -3.989882      1.723838      2.606281
  C      -4.723278      0.387772      2.475185
  C      -5.182107      0.102627      1.029787
  C      -4.036956     -0.080034      0.074995
  N      -3.714470      0.962735     -0.700288
  C      -2.646002      0.815468     -1.520679
  N      -1.860595     -0.240591     -1.655295
  C      -2.175984     -1.324284     -0.878381
  C      -1.387473     -2.494998     -0.971948
  C      -1.688762     -3.604458     -0.199274
  C      -2.786280     -3.582041      0.686837
  C      -3.574074     -2.449270      0.799907
  C      -3.287959     -1.295009      0.025113
  C      -3.955463      6.314578      5.306316
  C      -3.298670      6.971982      4.080074
  C      -3.885136      6.469745      2.758248
  C      -5.336479      6.852468      2.584668
  N      -5.732984      8.007597      3.134677
  C      -7.043300      8.322056      3.049917
  N      -8.022764      7.595854      2.533914
  C      -7.644228      6.413301      1.957637
  C      -8.637809      5.560781      1.420964
  C      -8.279863      4.366268      0.809726
  C      -6.920663      4.001517      0.695966
  C      -5.927908      4.808709      1.231619
  C      -6.266211      6.014418      1.902705
  C      -6.653949      2.782387      7.240941
  C      -6.875890      4.247354      7.640000
  C      -8.269768      4.545134      8.188018
  C      -9.427282      4.528505      7.222012
  N      -9.214422      4.342520      5.908169
  C     -10.286605      4.356560      5.079976
  N     -11.555951      4.519753      5.402994
  C     -11.813026      4.721962      6.737668
  C     -13.146079      4.911604      7.161135
  C     -13.434060      5.122682      8.503847
  C     -12.399777      5.153351      9.456087
  C     -11.079027      4.969888      9.067502
  C     -10.755495      4.745170      7.705489
  H      -3.121025      1.747252      1.922041
  H      -4.659795      2.534355      2.291611
  H      -5.605200      0.404346      3.136006
  H      -4.074885     -0.432529      2.821410
  H      -5.822938     -0.792520      1.033132
  H      -5.792726      0.942546      0.669017
  H      -2.406536      1.683679     -2.144192
  H      -0.547959     -2.491183     -1.668730
  H      -1.077855     -4.505449     -0.278485
  H      -3.016342     -4.466281      1.283836
  H      -4.423305     -2.445845      1.484152
  H      -5.045524      6.296347      5.168934
  H      -3.755903      6.939298      6.198028
  H      -2.212866      6.789940      4.097627
  H      -3.450354      8.058319      4.145354
  H      -3.304119      6.884540      1.915056
  H      -3.781180      5.376588      2.694653
  H      -7.327635      9.285662      3.486902
  H      -9.678955      5.876404      1.501314
  H      -9.049713      3.712893      0.395508
  H      -6.644348      3.081396      0.177601
  H      -4.883311      4.515507      1.130165
  H      -6.939075      2.132085      8.088394
  H      -7.319447      2.521244      6.406620
  H      -6.140133      4.511159      8.416989
  H      -6.657548      4.895710      6.776838
  H      -8.494359      3.845181      9.013427
  H      -8.254953      5.541525      8.665770
  H     -10.060482      4.211833      4.017126
  H     -13.930368      4.887904      6.403189
  H     -14.467764      5.267658      8.822681
  H     -12.636578      5.322950     10.507934
  H     -10.287857      4.999380      9.816970
  N      -5.942529      3.635502      4.450582
  N      -7.176824      3.789696      4.109814
  H      -7.886774      4.096940      4.845517
  H      -7.410687      3.736028      3.113547
99
Coordinates from ORCA-job orca E -6259.115029055283
  N      -3.542185      2.020605      3.968236
  Mo     -4.404588      3.241960      5.259667
  N      -5.259868      2.507812      6.877926
  C      -4.476545      1.943478      7.968231
  C      -3.133482      1.486692      7.417464
  N      -2.617819      2.498029      6.461314
  C      -1.656784      1.912047      5.491263
  C      -2.426651      1.183432      4.402163
  C      -2.068459      3.702061      7.135309
  C      -2.160030      4.898722      6.197667
  N      -3.494707      4.966688      5.597270
  H      -1.746978      0.982443      3.554025
  H      -2.772816      0.195616      4.762353
  H      -1.099290      2.744749      5.041756
  H      -0.938179      1.251536      6.007521
  H      -1.960830      5.814714      6.782325
  H      -1.368366      4.846390      5.425606
  H      -2.688216      3.896209      8.021254
  H      -1.031422      3.520546      7.469605
  H      -4.997555      1.076129      8.411698
  H      -4.338180      2.678013      8.788081
  H      -3.275262      0.555220      6.852115
  H      -2.398495      1.297916      8.219097
  C      -4.011151      1.740346      2.612001
  C      -4.751259      0.406540      2.489612
  C      -5.218629      0.120360      1.047041
  C      -4.078371     -0.063585      0.085957
  N      -3.762631      0.975150     -0.697599
  C      -2.697606      0.826010     -1.522048
  N      -1.908925     -0.228182     -1.653357
  C      -2.217223     -1.307638     -0.868140
  C      -1.424791     -2.476043     -0.956990
  C      -1.718916     -3.581547     -0.175857
  C      -2.813326     -3.557681      0.713888
  C      -3.604995     -2.427026      0.822518
  C      -3.325818     -1.276561      0.039646
  C      -3.930826      6.327158      5.297882
  C      -3.262824      6.968164      4.069071
  C      -3.839884      6.456309      2.746683
  C      -5.287205      6.845523      2.558223
  N      -5.679309      8.010174      3.090197
  C      -6.987540      8.330426      2.994715
  N      -7.968643      7.601763      2.485692
  C      -7.593893      6.409959      1.926512
  C      -8.589118      5.555596      1.396302
  C      -8.234252      4.351901      0.802065
  C      -6.876236      3.979066      0.698352
  C      -5.881854      4.788648      1.227225
  C      -6.217779      6.003754      1.882058
  C      -6.652252      2.790382      7.247462
  C      -6.885310      4.255752      7.638291
  C      -8.280807      4.542468      8.188318
  C      -9.438710      4.515477      7.223325
  N      -9.223651      4.339952      5.907954
  C     -10.296746      4.343404      5.081032
  N     -11.568255      4.486236      5.405380
  C     -11.827636      4.676037      6.741396
  C     -13.162990      4.842840      7.166825
  C     -13.453174      5.042382      8.510887
  C     -12.418773      5.083673      9.462547
  C     -11.095766      4.922208      9.072101
  C     -10.769738      4.709807      7.708569
  H      -3.147427      1.758145      1.921144
  H      -4.681367      2.552998      2.302839
  H      -5.628423      0.431316      3.156286
  H      -4.104759     -0.415619      2.834364
  H      -5.860241     -0.774204      1.052914
  H      -5.829973      0.960950      0.688533
  H      -2.463239      1.690971     -2.152028
  H      -0.587960     -2.473793     -1.657018
  H      -1.104838     -4.480698     -0.251366
  H      -3.038219     -4.438878      1.317324
  H      -4.452116     -2.422617      1.509353
  H      -5.020201      6.315849      5.154020
  H      -3.730343      6.959932      6.183638
  H      -2.178105      6.780219      4.095526
  H      -3.408930      8.055822      4.124198
  H      -3.248457      6.858999      1.904907
  H      -3.741302      5.361755      2.694215
  H      -7.267715      9.302977      3.413626
  H      -9.629259      5.876426      1.468493
  H      -9.005592      3.696561      0.393739
  H      -6.602987      3.050397      0.193936
  H      -4.837823      4.488359      1.136263
  H      -6.932923      2.142808      8.098412
  H      -7.315888      2.519831      6.414302
  H      -6.149336      4.530293      8.411269
  H      -6.676077      4.901268      6.770238
  H      -8.498132      3.840562      9.013920
  H      -8.274413      5.539174      8.665549
  H     -10.069941      4.211817      4.016791
  H     -13.947629      4.811687      6.409514
  H     -14.488762      5.170069      8.830957
  H     -12.657295      5.244337     10.515406
  H     -10.304255      4.959677      9.820835
  N      -5.939263      3.671347      4.460926
  N      -7.172519      3.841422      4.115983
  H      -7.899721      4.096620      4.854647
  H      -7.393515      3.817719      3.115686
99
Coordinates from ORCA-job orca E -6259.115103416343
  N      -3.558253      2.011669      3.983632
  Mo     -4.405466      3.246185      5.269376
  N      -5.261265      2.528419      6.895896
  C      -4.481932      1.959155      7.986166
  C      -3.143327      1.490623      7.433253
  N      -2.622091      2.494192      6.471859
  C      -1.668571      1.895731      5.500988
  C      -2.446583      1.168411      4.417230
  C      -2.059301      3.696043      7.138235
  C      -2.138756      4.883692      6.189426
  N      -3.474628      4.962983      5.592894
  H      -1.770689      0.957903      3.568537
  H      -2.801228      0.185635      4.782501
  H      -1.107137      2.722073      5.044613
  H      -0.953158      1.233291      6.019055
  H      -1.924911      5.804415      6.761414
  H      -1.350629      4.812281      5.414880
  H      -2.676649      3.901991      8.023360
  H      -1.024138      3.505626      7.473015
  H      -5.008378      1.096927      8.432672
  H      -4.336028      2.694231      8.804282
  H      -3.295174      0.559236      6.870271
  H      -2.407061      1.297042      8.232574
  C      -4.034793      1.726119      2.630804
  C      -4.786301      0.396998      2.520688
  C      -5.255178      0.103836      1.080094
  C      -4.116793     -0.068485      0.114362
  N      -3.822828      0.971660     -0.675272
  C      -2.759708      0.838920     -1.503856
  N      -1.950542     -0.200220     -1.632392
  C      -2.235777     -1.281561     -0.840965
  C      -1.420820     -2.434618     -0.925676
  C      -1.692457     -3.542415     -0.139476
  C      -2.786455     -3.536791      0.750911
  C      -3.599737     -2.421028      0.856114
  C      -3.343533     -1.268459      0.068807
  C      -3.879420      6.324941      5.257662
  C      -3.190980      6.927825      4.020924
  C      -3.783683      6.423556      2.702327
  C      -5.214931      6.865710      2.504819
  N      -5.567457      8.043801      3.034169
  C      -6.863972      8.409325      2.935141
  N      -7.869068      7.711674      2.429470
  C      -7.533840      6.508457      1.870326
  C      -8.556717      5.684747      1.343810
  C      -8.241437      4.468809      0.752283
  C      -6.896299      4.053760      0.645348
  C      -5.875454      4.834062      1.167538
  C      -6.171758      6.058001      1.823743
  C      -6.657534      2.802604      7.261512
  C      -6.910198      4.275135      7.608823
  C      -8.303281      4.557060      8.168277
  C      -9.474519      4.477433      7.222940
  N      -9.274814      4.279156      5.907559
  C     -10.360590      4.231819      5.099325
  N     -11.630723      4.345715      5.440707
  C     -11.874653      4.559062      6.776251
  C     -13.206955      4.700964      7.218988
  C     -13.481869      4.927322      8.562247
  C     -12.434181      5.019650      9.495483
  C     -11.113702      4.882764      9.087847
  C     -10.802812      4.644821      7.724790
  H      -3.173088      1.727165      1.937523
  H      -4.698697      2.542938      2.319301
  H      -5.662486      0.435205      3.188166
  H      -4.145616     -0.426641      2.872217
  H      -5.891184     -0.794594      1.087431
  H      -5.871318      0.941266      0.722314
  H      -2.546742      1.704938     -2.140056
  H      -0.585419     -2.419548     -1.627239
  H      -1.060795     -4.429578     -0.211913
  H      -2.993904     -4.419857      1.357836
  H      -4.446416     -2.430764      1.543476
  H      -4.968106      6.335186      5.107633
  H      -3.667622      6.972852      6.129687
  H      -2.112310      6.706399      4.048543
  H      -3.301394      8.019961      4.066576
  H      -3.174517      6.793746      1.858306
  H      -3.724337      5.325220      2.661198
  H      -7.110320      9.394087      3.346874
  H      -9.586519      6.037231      1.416971
  H      -9.034582      3.835668      0.350948
  H      -6.655358      3.114909      0.143873
  H      -4.841771      4.499651      1.078428
  H      -6.926838      2.177209      8.132098
  H      -7.318818      2.497095      6.437841
  H      -6.168876      4.586089      8.362647
  H      -6.723756      4.894168      6.717786
  H      -8.497140      3.880133      9.019808
  H      -8.306900      5.570177      8.610876
  H     -10.148360      4.089222      4.033545
  H     -14.002561      4.631280      6.475792
  H     -14.515400      5.037093      8.895250
  H     -12.660479      5.201447     10.547623
  H     -10.311553      4.960587      9.822053
  N      -5.933087      3.697148      4.470485
  N      -7.163268      3.884539      4.125686
  H      -7.892823      4.127756      4.867994
  H      -7.388984      3.875439      3.126865
99
Coordinates from ORCA-job orca E -6259.115223279203
  N      -3.568994      2.002889      3.982025
  Mo     -4.417461      3.232214      5.274013
  N      -5.258288      2.508097      6.906060
  C      -4.469665      1.928401      7.984155
  C      -3.130275      1.474383      7.420762
  N      -2.622517      2.489692      6.465186
  C      -1.667672      1.906501      5.486452
  C      -2.443656      1.172875      4.405791
  C      -2.068108      3.692044      7.136898
  C      -2.157787      4.884151      6.193577
  N      -3.494799      4.953941      5.597176
  H      -1.771431      0.973321      3.551511
  H      -2.782595      0.184405      4.770723
  H      -1.119586      2.741290      5.029364
  H      -0.940716      1.251216      5.997464
  H      -1.952634      5.803838      6.770457
  H      -1.368569      4.824404      5.419346
  H      -2.686086      3.888982      8.023690
  H      -1.031146      3.507829      7.469673
  H      -4.989752      1.058507      8.423030
  H      -4.323858      2.655109      8.809964
  H      -3.276982      0.545893      6.851560
  H      -2.388413      1.281035      8.214921
  C      -4.054762      1.707260      2.634769
  C      -4.785337      0.366282      2.535522
  C      -5.265969      0.060824      1.101533
  C      -4.137133     -0.091074      0.121944
  N      -3.875240      0.954070     -0.671780
  C      -2.820798      0.843042     -1.514202
  N      -1.991871     -0.179067     -1.652583
  C      -2.244770     -1.266073     -0.857558
  C      -1.407756     -2.402488     -0.952931
  C      -1.647232     -3.515682     -0.164046
  C      -2.729890     -3.532221      0.740102
  C      -3.563857     -2.433077      0.856289
  C      -3.340782     -1.275432      0.066321
  C      -3.911581      6.313881      5.268160
  C      -3.221595      6.928888      4.038701
  C      -3.808280      6.429500      2.715608
  C      -5.241704      6.864917      2.517130
  N      -5.597592      8.045179      3.038886
  C      -6.894789      8.408038      2.935751
  N      -7.898116      7.705953      2.432807
  C      -7.560006      6.499212      1.883020
  C      -8.581060      5.669468      1.361921
  C      -8.263439      4.447390      0.784328
  C      -6.917794      4.033191      0.683722
  C      -5.898984      4.820517      1.198147
  C      -6.197057      6.050416      1.842206
  C      -6.649424      2.787511      7.287359
  C      -6.885101      4.257894      7.654173
  C      -8.280838      4.550026      8.199758
  C      -9.432408      4.495995      7.229896
  N      -9.202743      4.309169      5.917870
  C     -10.267958      4.287313      5.082094
  N     -11.544482      4.413748      5.394072
  C     -11.818565      4.615509      6.725767
  C     -13.159361      4.770583      7.136982
  C     -13.464569      4.985980      8.475603
  C     -12.439273      5.053805      9.435421
  C     -11.110924      4.903450      9.059099
  C     -10.769578      4.676095      7.701477
  H      -3.200571      1.719634      1.932158
  H      -4.733930      2.512936      2.328465
  H      -5.654903      0.389539      3.212304
  H      -4.127049     -0.445916      2.881407
  H      -5.883713     -0.850118      1.119579
  H      -5.903656      0.884525      0.749592
  H      -2.635585      1.712811     -2.153813
  H      -0.581876     -2.370566     -1.665112
  H      -0.998869     -4.389969     -0.245027
  H      -2.911868     -4.419445      1.349124
  H      -4.401199     -2.459997      1.554554
  H      -4.999755      6.316178      5.113414
  H      -3.708874      6.958462      6.144978
  H      -2.141612      6.714628      4.069236
  H      -3.339365      8.020046      4.089714
  H      -3.200167      6.810833      1.875838
  H      -3.741199      5.332329      2.667414
  H      -7.143877      9.393593      3.344319
  H      -9.611307      6.021786      1.429481
  H      -9.055114      3.808779      0.388813
  H      -6.674595      3.088949      0.193626
  H      -4.864866      4.489246      1.108819
  H      -6.918625      2.154136      8.152008
  H      -7.318857      2.497777      6.464497
  H      -6.147390      4.549538      8.419125
  H      -6.681961      4.885484      6.773652
  H      -8.496950      3.863115      9.037869
  H      -8.278867      5.557151      8.656089
  H     -10.031384      4.147714      4.021122
  H     -13.936960      4.719785      6.373476
  H     -14.504471      5.106170      8.784288
  H     -12.689199      5.226838     10.483684
  H     -10.326566      4.962007      9.814063
  N      -5.947306      3.686910      4.481105
  N      -7.176360      3.883974      4.147460
  H      -7.899139      4.118843      4.899057
  H      -7.420877      3.865990      3.153507
99
Coordinates from ORCA-job orca E -6259.114830202082
  N      -3.564663      2.016095      3.972297
  Mo     -4.419579      3.249531      5.257691
  N      -5.278827      2.526556      6.881183
  C      -4.499393      1.922188      7.953652
  C      -3.157485      1.470880      7.399758
  N      -2.639743      2.496546      6.463277
  C      -1.674985      1.920065      5.491379
  C      -2.441217      1.187569      4.403080
  C      -2.093554      3.693693      7.151195
  C      -2.166618      4.893103      6.215120
  N      -3.492243      4.966935      5.595243
  H      -1.761844      0.992448      3.553379
  H      -2.779811      0.196734      4.762367
  H      -1.123974      2.757137      5.042399
  H      -0.951481      1.263574      6.005812
  H      -1.972174      5.808935      6.802066
  H      -1.363442      4.839354      5.455137
  H      -2.724737      3.885584      8.029680
  H      -1.062131      3.505280      7.498689
  H      -5.027892      1.048437      8.374289
  H      -4.357137      2.634999      8.792230
  H      -3.300713      0.549741      6.817827
  H      -2.424187      1.266212      8.198950
  C      -4.046020      1.712717      2.625600
  C      -4.784522      0.375162      2.532875
  C      -5.275058      0.068297      1.102673
  C      -4.152439     -0.079501      0.115354
  N      -3.898442      0.965474     -0.681703
  C      -2.847299      0.856209     -1.528926
  N      -2.015332     -0.163350     -1.668876
  C      -2.261769     -1.250403     -0.871885
  C      -1.422725     -2.385146     -0.970141
  C      -1.656953     -3.498653     -0.180135
  C      -2.735876     -3.517046      0.728465
  C      -3.571159     -2.419367      0.847992
  C      -3.353117     -1.261380      0.057134
  C      -3.899828      6.328316      5.260373
  C      -3.202066      6.942863      4.034416
  C      -3.776879      6.433587      2.710386
  C      -5.216452      6.845665      2.509077
  N      -5.589483      8.027444      3.014036
  C      -6.892879      8.367717      2.911043
  N      -7.887451      7.639435      2.428698
  C      -7.532427      6.428779      1.898105
  C      -8.542101      5.572405      1.398352
  C      -8.206081      4.349122      0.834372
  C      -6.853617      3.959304      0.726176
  C      -5.845540      4.771069      1.223596
  C      -6.161896      6.004520      1.852560
  C      -6.670156      2.809962      7.259889
  C      -6.897614      4.271574      7.665406
  C      -8.290813      4.550724      8.224653
  C      -9.444177      4.505155      7.257005
  N      -9.213504      4.322531      5.944700
  C     -10.276896      4.309358      5.106807
  N     -11.553743      4.433235      5.418443
  C     -11.829182      4.628406      6.751295
  C     -13.170469      4.779537      7.162342
  C     -13.477028      4.987727      8.501914
  C     -12.452585      5.052174      9.462911
  C     -11.123672      4.905364      9.086881
  C     -10.781100      4.684566      7.728478
  H      -3.188573      1.715876      1.926862
  H      -4.719925      2.519304      2.310152
  H      -5.650639      0.405062      3.213626
  H      -4.129344     -0.440187      2.877707
  H      -5.886914     -0.846620      1.125768
  H      -5.920621      0.887387      0.755084
  H      -2.667289      1.725487     -2.170598
  H      -0.599907     -2.351830     -1.685783
  H      -1.007345     -4.371789     -0.263580
  H      -2.913987     -4.404619      1.338113
  H      -4.406339     -2.447345      1.548794
  H      -4.986375      6.332258      5.096886
  H      -3.703508      6.973417      6.138431
  H      -2.121476      6.735141      4.073385
  H      -3.327071      8.033598      4.079944
  H      -3.171663      6.820344      1.871055
  H      -3.694612      5.337758      2.665453
  H      -7.155510      9.356515      3.302746
  H      -9.578030      5.906778      1.468996
  H      -8.988581      3.691229      0.452334
  H      -6.596361      3.014775      0.243531
  H      -4.805251      4.462181      1.122074
  H      -6.947729      2.158350      8.107904
  H      -7.339412      2.544732      6.428221
  H      -6.155275      4.541111      8.433857
  H      -6.695926      4.921109      6.800114
  H      -8.500527      3.848114      9.051458
  H      -8.290422      5.549342      8.698574
  H     -10.038939      4.165918      4.046344
  H     -13.947434      4.730958      6.398037
  H     -14.517380      5.104522      8.810405
  H     -12.703473      5.219199     10.511930
  H     -10.339943      4.960508      9.842757
  N      -5.929224      3.724793      4.435600
  N      -7.145796      3.940002      4.067634
  H      -7.892713      4.195047      4.790928
  H      -7.352776      3.921133      3.065242
99
Coordinates from ORCA-job orca E -6259.115458753447
  N      -3.555854      2.004205      3.994003
  Mo     -4.411522      3.239048      5.277199
  N      -5.270370      2.519873      6.902245
  C      -4.485476      1.938775      7.983119
  C      -3.142564      1.483441      7.432214
  N      -2.627388      2.499317      6.482997
  C      -1.663454      1.918629      5.512117
  C      -2.429752      1.179854      4.427189
  C      -2.083002      3.702430      7.161148
  C      -2.163799      4.896587      6.219675
  N      -3.491637      4.962559      5.604503
  H      -1.751242      0.982530      3.577370
  H      -2.765865      0.189822      4.791133
  H      -1.114600      2.754300      5.057827
  H      -0.937783      1.266192      6.028768
  H      -1.970687      5.815471      6.802220
  H      -1.363374      4.842532      5.456897
  H      -2.711748      3.897453      8.040585
  H      -1.049683      3.519910      7.506264
  H      -5.009123      1.069110      8.418343
  H      -4.345653      2.665199      8.810328
  H      -3.283702      0.554654      6.862184
  H      -2.408378      1.290491      8.233526
  C      -4.038682      1.697519      2.648502
  C      -4.777146      0.359883      2.558920
  C      -5.280524      0.056852      1.132295
  C      -4.166767     -0.082518      0.133999
  N      -3.919951      0.969230     -0.656588
  C      -2.874909      0.867355     -1.512770
  N      -2.043494     -0.150423     -1.667188
  C      -2.282866     -1.243944     -0.876983
  C      -1.443943     -2.377292     -0.991129
  C      -1.671068     -3.497080     -0.208061
  C      -2.742465     -3.523254      0.709295
  C      -3.577403     -2.427185      0.844235
  C      -3.366682     -1.262993      0.060483
  C      -3.904616      6.321365      5.265554
  C      -3.202270      6.931093      4.039121
  C      -3.772142      6.423555      2.711502
  C      -5.204044      6.853140      2.491433
  N      -5.570479      8.037288      2.996310
  C      -6.866070      8.397756      2.868236
  N      -7.859573      7.690197      2.353743
  C      -7.510960      6.478648      1.820752
  C      -8.521619      5.645006      1.285711
  C      -8.192145      4.421051      0.719163
  C      -6.844277      4.007727      0.644635
  C      -5.835730      4.797367      1.176121
  C      -6.147003      6.031373      1.807000
  C      -6.664228      2.800053      7.273975
  C      -6.903469      4.267612      7.652228
  C      -8.298577      4.550970      8.207064
  C      -9.460657      4.495050      7.247825
  N      -9.246171      4.308376      5.933232
  C     -10.321020      4.278398      5.109831
  N     -11.594449      4.397063      5.436611
  C     -11.853383      4.600573      6.771200
  C     -13.190176      4.746969      7.198538
  C     -13.480693      4.960759      8.540653
  C     -12.444357      5.035783      9.488122
  C     -11.119613      4.894414      9.095816
  C     -10.793075      4.669115      7.734330
  H      -3.182191      1.700512      1.948528
  H      -4.713208      2.502822      2.330903
  H      -5.637890      0.387001      3.246630
  H      -4.118702     -0.456021      2.896274
  H      -5.888531     -0.860562      1.158246
  H      -5.932325      0.874950      0.794496
  H      -2.699701      1.741925     -2.148697
  H      -0.626982     -2.337725     -1.713140
  H      -1.021685     -4.369127     -0.303701
  H      -2.914855     -4.415717      1.313427
  H      -4.406667     -2.461018      1.551797
  H      -4.990752      6.323119      5.100159
  H      -3.711458      6.969611      6.141981
  H      -2.122740      6.719167      4.083359
  H      -3.322545      8.022498      4.081739
  H      -3.154664      6.801949      1.877236
  H      -3.702036      5.326607      2.669425
  H      -7.122553      9.387709      3.261289
  H      -9.552981      5.997223      1.331818
  H      -8.975653      3.780285      0.310957
  H      -6.590780      3.061365      0.163344
  H      -4.799184      4.469081      1.102443
  H      -6.938805      2.160294      8.132235
  H      -7.329389      2.517141      6.445554
  H      -6.164088      4.554176      8.417435
  H      -6.703152      4.903803      6.776378
  H      -8.504483      3.858583      9.043493
  H      -8.298080      5.554552      8.669987
  H     -10.095064      4.133847      4.046619
  H     -13.976545      4.689467      6.444541
  H     -14.517633      5.073423      8.861925
  H     -12.682723      5.206835     10.539415
  H     -10.326624      4.957687      9.841387
  N      -5.931573      3.697093      4.465333
  N      -7.154236      3.897458      4.109926
  H      -7.897585      4.103833      4.850077
  H      -7.371051      3.891630      3.108635
99
Coordinates from ORCA-job orca E -6259.114801086846
  N      -3.561831      2.030068      3.999327
  Mo     -4.393513      3.264602      5.298282
  N      -5.240734      2.541446      6.925850
  C      -4.450965      1.948236      7.996608
  C      -3.113540      1.491860      7.429493
  N      -2.600428      2.508925      6.478606
  C      -1.651047      1.926743      5.493465
  C      -2.433536      1.198425      4.412480
  C      -2.041555      3.705895      7.157324
  C      -2.125333      4.905469      6.222434
  N      -3.459652      4.980921      5.619860
  H      -1.766338      1.004080      3.552848
  H      -2.768879      0.207344      4.773351
  H      -1.102309      2.761720      5.037632
  H      -0.923058      1.267340      5.997995
  H      -1.921514      5.820547      6.806979
  H      -1.332057      4.850423      5.451876
  H      -2.660178      3.899586      8.044217
  H      -1.005927      3.515293      7.490920
  H      -4.974378      1.076138      8.427606
  H      -4.302815      2.666314      8.829621
  H      -3.265415      0.567381      6.855529
  H      -2.372465      1.289843      8.222313
  C      -4.063838      1.732599      2.658944
  C      -4.807168      0.398185      2.571559
  C      -5.318394      0.098709      1.146931
  C      -4.209625     -0.054064      0.144332
  N      -3.959138      0.990554     -0.653920
  C      -2.918997      0.876740     -1.514169
  N      -2.095210     -0.147410     -1.667048
  C      -2.338119     -1.234199     -0.869213
  C      -1.506978     -2.373620     -0.980047
  C      -1.736996     -3.486674     -0.188386
  C      -2.803520     -3.500017      0.734835
  C      -3.631001     -2.397893      0.866898
  C      -3.417610     -1.240373      0.073855
  C      -3.864497      6.339621      5.273973
  C      -3.166010      6.933387      4.039306
  C      -3.740328      6.408507      2.720337
  C      -5.169089      6.844046      2.498469
  N      -5.521141      8.040203      2.983304
  C      -6.813943      8.410040      2.855733
  N      -7.816715      7.704046      2.357905
  C      -7.482506      6.480370      1.844814
  C      -8.503935      5.648119      1.328917
  C      -8.190100      4.409199      0.786751
  C      -6.847424      3.978532      0.717911
  C      -5.828576      4.767559      1.229632
  C      -6.123688      6.017369      1.836430
  C      -6.639319      2.805375      7.291082
  C      -6.906320      4.278695      7.622386
  C      -8.310719      4.554389      8.156185
  C      -9.467359      4.446578      7.193640
  N      -9.248917      4.221024      5.885306
  C     -10.323883      4.153365      5.063780
  N     -11.598952      4.268216      5.385326
  C     -11.861545      4.506128      6.712544
  C     -13.200459      4.645924      7.134900
  C     -13.494782      4.894497      8.470098
  C     -12.460265      5.012484      9.415079
  C     -11.133503      4.878110      9.027384
  C     -10.802911      4.616595      7.673222
  H      -3.216951      1.735960      1.947167
  H      -4.740320      2.542518      2.356215
  H      -5.663821      0.428910      3.263937
  H      -4.150659     -0.420812      2.904518
  H      -5.934961     -0.812781      1.175873
  H      -5.964847      0.922751      0.810070
  H      -2.741426      1.746499     -2.155883
  H      -0.693296     -2.344039     -1.706254
  H      -1.093415     -4.363268     -0.281503
  H      -2.978113     -4.387189      1.346082
  H      -4.456304     -2.421626      1.579331
  H      -4.951609      6.346339      5.111810
  H      -3.662245      6.993431      6.143931
  H      -2.086573      6.719155      4.082384
  H      -3.283692      8.025711      4.069686
  H      -3.122615      6.772035      1.879706
  H      -3.676263      5.310156      2.693617
  H      -7.059373      9.406945      3.236410
  H      -9.531342      6.012421      1.371669
  H      -8.982108      3.769058      0.394304
  H      -6.606207      3.019650      0.255836
  H      -4.796747      4.423732      1.163725
  H      -6.906440      2.182593      8.164465
  H      -7.296313      2.490602      6.467780
  H      -6.178175      4.602839      8.383407
  H      -6.710951      4.889004      6.727131
  H      -8.509666      3.887092      9.014371
  H      -8.331200      5.572819      8.585639
  H     -10.097173      3.984431      4.005437
  H     -13.985364      4.555826      6.382614
  H     -14.533415      5.001803      8.787604
  H     -12.701513      5.211744     10.460685
  H     -10.341975      4.975059      9.770898
  N      -5.921854      3.740095      4.513153
  N      -7.148927      3.961544      4.185973
  H      -7.863099      4.200383      4.940265
  H      -7.392564      3.949807      3.191363
99
Coordinates from ORCA-job orca E -6259.115688640502
  N      -3.559292      2.007189      4.004125
  Mo     -4.404754      3.246082      5.289454
  N      -5.258949      2.530475      6.920776
  C      -4.468277      1.940152      7.992787
  C      -3.128420      1.486581      7.433218
  N      -2.616121      2.505028      6.485844
  C      -1.656620      1.926561      5.509220
  C      -2.427076      1.186693      4.428365
  C      -2.068979      3.706248      7.164944
  C      -2.149781      4.900516      6.224227
  N      -3.477861      4.967676      5.609592
  H      -1.753258      0.993110      3.573898
  H      -2.757410      0.194980      4.792616
  H      -1.112292      2.763747      5.052146
  H      -0.926595      1.275592      6.021558
  H      -1.955686      5.819502      6.806335
  H      -1.349485      4.846067      5.460982
  H      -2.696411      3.900344      8.045543
  H      -1.035439      3.521942      7.508290
  H      -4.990520      1.067882      8.424618
  H      -4.323633      2.660352      8.824583
  H      -3.273615      0.560499      6.859886
  H      -2.390701      1.288879      8.230205
  C      -4.054654      1.693475      2.665018
  C      -4.794268      0.355560      2.590265
  C      -5.314888      0.046655      1.171095
  C      -4.214753     -0.085799      0.156589
  N      -3.992529      0.964758     -0.642687
  C      -2.959974      0.871504     -1.514428
  N      -2.118520     -0.136736     -1.677002
  C      -2.332472     -1.229186     -0.878175
  C      -1.481308     -2.352577     -0.999541
  C      -1.682682     -3.471268     -0.207832
  C      -2.739710     -3.506348      0.725669
  C      -3.586124     -2.419961      0.868212
  C      -3.401942     -1.257191      0.075715
  C      -3.882126      6.325801      5.258075
  C      -3.175346      6.923445      4.028766
  C      -3.749509      6.414646      2.703792
  C      -5.176805      6.857830      2.483684
  N      -5.529399      8.046839      2.986099
  C      -6.822504      8.418588      2.863982
  N      -7.825459      7.717367      2.359651
  C      -7.490775      6.501141      1.828857
  C      -8.512244      5.673470      1.305389
  C      -8.197169      4.444166      0.742711
  C      -6.853525      4.019080      0.660152
  C      -5.834576      4.802783      1.180139
  C      -6.131034      6.041578      1.808235
  C      -6.653373      2.802878      7.293868
  C      -6.902703      4.272412      7.654954
  C      -8.302770      4.552381      8.197533
  C      -9.456055      4.472729      7.230148
  N      -9.227731      4.274085      5.919253
  C     -10.295207      4.224342      5.087671
  N     -11.572713      4.334191      5.401891
  C     -11.845565      4.548800      6.731927
  C     -13.187289      4.686836      7.145952
  C     -13.491712      4.913403      8.482971
  C     -12.464476      5.009835      9.438275
  C     -11.135075      4.876752      9.059130
  C     -10.794336      4.638375      7.703233
  H      -3.205002      1.690731      1.956891
  H      -4.731862      2.497694      2.350279
  H      -5.646722      0.386910      3.288082
  H      -4.132156     -0.458886      2.923585
  H      -5.916742     -0.874417      1.206515
  H      -5.976394      0.860532      0.841526
  H      -2.806372      1.744854     -2.157531
  H      -0.675787     -2.306535     -1.733918
  H      -1.023823     -4.335543     -0.309056
  H      -2.891852     -4.397914      1.336537
  H      -4.404064     -2.460675      1.588395
  H      -4.968168      6.332231      5.090420
  H      -3.686119      6.980239      6.129180
  H      -2.097080      6.704002      4.072882
  H      -3.287378      8.015885      4.067125
  H      -3.128823      6.783809      1.867780
  H      -3.689218      5.316739      2.666301
  H      -7.067731      9.412004      3.255173
  H      -9.540490      6.034028      1.357468
  H      -8.989119      3.808015      0.343747
  H      -6.611678      3.069353      0.179783
  H      -4.801478      4.464427      1.102408
  H      -6.921918      2.170131      8.159257
  H      -7.317070      2.506228      6.468840
  H      -6.168850      4.572617      8.420276
  H      -6.702753      4.899260      6.772692
  H      -8.509090      3.870276      9.042137
  H      -8.313327      5.562910      8.645535
  H     -10.059416      4.074969      4.027590
  H     -13.966569      4.613488      6.385990
  H     -14.532469      5.019989      8.793750
  H     -12.713623      5.191482     10.485275
  H     -10.349154      4.957272      9.810434
  N      -5.920943      3.717388      4.479164
  N      -7.140164      3.933736      4.123317
  H      -7.881610      4.145892      4.862691
  H      -7.362976      3.918848      3.124058
99
Coordinates from ORCA-job orca E -6259.115847275485
  N      -3.555076      2.013984      4.012375
  Mo     -4.400611      3.253397      5.298117
  N      -5.258149      2.535669      6.927458
  C      -4.464295      1.947862      7.998650
  C      -3.124241      1.495083      7.439878
  N      -2.612017      2.514534      6.494074
  C      -1.651009      1.939443      5.517225
  C      -2.419298      1.197807      4.435545
  C      -2.068428      3.715664      7.175979
  C      -2.149986      4.912412      6.238552
  N      -3.475869      4.976532      5.619391
  H      -1.745153      1.008519      3.580338
  H      -2.744598      0.203824      4.798454
  H      -1.108824      2.778467      5.061067
  H      -0.919032      1.289983      6.028803
  H      -1.961358      5.830064      6.824658
  H      -1.346706      4.863482      5.478198
  H      -2.697933      3.906807      8.055670
  H      -1.035159      3.532808      7.521087
  H      -4.984940      1.074926      8.431358
  H      -4.320832      2.668761      8.830129
  H      -3.267876      0.568748      6.866549
  H      -2.387571      1.297964      8.238028
  C      -4.054356      1.694799      2.676214
  C      -4.795688      0.357459      2.609291
  C      -5.334026      0.049067      1.196572
  C      -4.246803     -0.077790      0.167577
  N      -4.037569      0.974913     -0.632612
  C      -3.015661      0.885500     -1.517544
  N      -2.174256     -0.120551     -1.692782
  C      -2.375736     -1.215187     -0.893732
  C      -1.524474     -2.336951     -1.029083
  C      -1.713745     -3.457843     -0.237615
  C      -2.758230     -3.496693      0.709804
  C      -3.604285     -2.412011      0.866190
  C      -3.432343     -1.247043      0.074075
  C      -3.880403      6.333632      5.264275
  C      -3.165718      6.930026      4.038572
  C      -3.727017      6.414494      2.710649
  C      -5.153531      6.852140      2.475101
  N      -5.513692      8.044926      2.962706
  C      -6.806066      8.413250      2.823353
  N      -7.802200      7.705791      2.314352
  C      -7.459781      6.485027      1.798911
  C      -8.474050      5.650966      1.271549
  C      -8.150586      4.417554      0.722998
  C      -6.805253      3.994301      0.658352
  C      -5.793479      4.784089      1.183138
  C      -6.099082      6.027991      1.796932
  C      -6.653275      2.804893      7.298582
  C      -6.907126      4.273649      7.660377
  C      -8.309522      4.549823      8.199388
  C      -9.461603      4.465108      7.230426
  N      -9.232168      4.263254      5.920215
  C     -10.299131      4.207088      5.088247
  N     -11.577174      4.311642      5.401760
  C     -11.851219      4.530074      6.730927
  C     -13.193694      4.663384      7.144153
  C     -13.499510      4.892434      8.480407
  C     -12.473013      4.996250      9.435766
  C     -11.142873      4.868160      9.057363
  C     -10.800681      4.627482      7.702273
  H      -3.206776      1.689003      1.965509
  H      -4.731796      2.497970      2.359361
  H      -5.640175      0.388989      3.316640
  H      -4.130594     -0.457874      2.934654
  H      -5.930431     -0.875302      1.239111
  H      -6.004240      0.859757      0.877366
  H      -2.871522      1.760458     -2.160599
  H      -0.728733     -2.287841     -1.773854
  H      -1.055084     -4.320926     -0.349678
  H      -2.900898     -4.389993      1.320419
  H      -4.412753     -2.455512      1.596810
  H      -4.965169      6.338022      5.089366
  H      -3.691722      6.989543      6.135933
  H      -2.087350      6.714055      4.092522
  H      -3.281454      8.022278      4.071671
  H      -3.100033      6.782043      1.878613
  H      -3.663703      5.316802      2.678257
  H      -7.057155      9.409804      3.202739
  H      -9.503313      6.010311      1.309222
  H      -8.936897      3.776643      0.320444
  H      -6.555965      3.041023      0.188701
  H      -4.758826      4.447793      1.117598
  H      -6.921372      2.170699      8.163090
  H      -7.315420      2.507652      6.472564
  H      -6.176216      4.574650      8.428195
  H      -6.705412      4.902092      6.779379
  H      -8.515094      3.867775      9.044325
  H      -8.324201      5.560338      8.646918
  H     -10.062000      4.050823      4.029419
  H     -13.972330      4.583824      6.384157
  H     -14.540843      4.994884      8.790679
  H     -12.723254      5.179469     10.482235
  H     -10.357611      4.954096      9.808773
  N      -5.915052      3.726812      4.485136
  N      -7.132146      3.947887      4.124732
  H      -7.880639      4.136208      4.864282
  H      -7.348301      3.938612      3.123623
99
Coordinates from ORCA-job orca E -6259.116024172452
  N      -3.546278      2.017201      4.020817
  Mo     -4.391119      3.257974      5.306205
  N      -5.252999      2.538263      6.934577
  C      -4.454257      1.951564      8.003084
  C      -3.114088      1.501074      7.443144
  N      -2.601805      2.522905      6.500308
  C      -1.639028      1.952934      5.522713
  C      -2.404217      1.208317      4.440859
  C      -2.062417      3.723808      7.185695
  C      -2.145365      4.922997      6.251708
  N      -3.468723      4.983188      5.627433
  H      -1.730061      1.025835      3.584107
  H      -2.721556      0.211049      4.801941
  H      -1.101019      2.795002      5.067155
  H      -0.903587      1.306443      6.033181
  H      -1.963432      5.839372      6.842088
  H      -1.338618      4.880646      5.494551
  H      -2.694264      3.911048      8.064490
  H      -1.029405      3.542826      7.532634
  H      -4.972007      1.076761      8.435964
  H      -4.311448      2.671430      8.835606
  H      -3.256577      0.575525      6.868269
  H      -2.378268      1.302809      8.241954
  C      -4.052234      1.688281      2.689758
  C      -4.794543      0.350802      2.637074
  C      -5.354153      0.038461      1.233354
  C      -4.283474     -0.083169      0.186182
  N      -4.094683      0.969242     -0.619714
  C      -3.087663      0.884338     -1.522083
  N      -2.243604     -0.116942     -1.710443
  C      -2.424382     -1.211223     -0.906058
  C      -1.569111     -2.328196     -1.054949
  C      -1.737438     -3.448712     -0.258312
  C      -2.764171     -3.491823      0.708129
  C      -3.613626     -2.411828      0.878074
  C      -3.463181     -1.247418      0.080712
  C      -3.874065      6.339354      5.269385
  C      -3.155059      6.935256      4.045898
  C      -3.712138      6.418850      2.716640
  C      -5.137281      6.857855      2.475622
  N      -5.496722      8.052663      2.958235
  C      -6.788257      8.422652      2.814613
  N      -7.784202      7.714884      2.306067
  C      -7.442546      6.491785      1.795717
  C      -8.457038      5.657605      1.268996
  C      -8.134058      4.422741      0.723889
  C      -6.789098      3.997351      0.662534
  C      -5.777534      4.786419      1.188697
  C      -6.082623      6.032559      1.798194
  C      -6.648472      2.803622      7.303553
  C      -6.907972      4.273026      7.657749
  C      -8.313893      4.548288      8.187614
  C      -9.461870      4.453523      7.214578
  N      -9.227928      4.247524      5.905473
  C     -10.292911      4.181315      5.071665
  N     -11.572302      4.279607      5.381508
  C     -11.850808      4.503415      6.708823
  C     -13.194955      4.631715      7.118089
  C     -13.505249      4.866339      8.452363
  C     -12.481622      4.980869      9.409520
  C     -11.149880      4.857857      9.034955
  C     -10.803095      4.611536      7.682049
  H      -3.208561      1.676620      1.974481
  H      -4.731078      2.489342      2.370293
  H      -5.628799      0.384896      3.356314
  H      -4.125133     -0.463952      2.954967
  H      -5.943735     -0.889730      1.286770
  H      -6.034751      0.844738      0.925425
  H      -2.959755      1.758914     -2.169069
  H      -0.787135     -2.275755     -1.813938
  H      -1.075885     -4.308156     -0.380776
  H      -2.890368     -4.384817      1.322808
  H      -4.408480     -2.458653      1.623208
  H      -4.958038      6.341827      5.089730
  H      -3.690482      6.996864      6.140950
  H      -2.076896      6.719335      4.103449
  H      -3.270793      8.027555      4.077680
  H      -3.082118      6.785057      1.886295
  H      -3.650033      5.321158      2.685691
  H      -7.038607      9.420901      3.190005
  H      -9.485876      6.018455      1.303877
  H      -8.920387      3.782265      0.320641
  H      -6.539301      3.043906      0.193318
  H      -4.743385      4.447961      1.126623
  H      -6.915060      2.172039      8.170525
  H      -7.308545      2.500900      6.477749
  H      -6.182019      4.578905      8.428393
  H      -6.702582      4.898486      6.775456
  H      -8.521416      3.871431      9.036247
  H      -8.333762      5.561718      8.628359
  H     -10.052607      4.022234      4.014138
  H     -13.971297      4.543929      6.356648
  H     -14.547860      4.964903      8.759593
  H     -12.735312      5.168525     10.454371
  H     -10.366881      4.952377      9.787662
  N      -5.901568      3.735555      4.488788
  N      -7.114269      3.966617      4.120525
  H      -7.869853      4.134904      4.858672
  H      -7.325462      3.954057      3.118522
99
Coordinates from ORCA-job orca E -6259.116215056948
  N      -3.538799      2.026390      4.026337
  Mo     -4.384416      3.264578      5.314464
  N      -5.248375      2.535970      6.940420
  C      -4.442577      1.949828      8.004036
  C      -3.101794      1.506645      7.440136
  N      -2.591695      2.535321      6.503218
  C      -1.626362      1.975659      5.522936
  C      -2.387140      1.228076      4.439957
  C      -2.059310      3.735300      7.195274
  C      -2.147353      4.939178      6.267926
  N      -3.468352      4.993441      5.638651
  H      -1.713415      1.057049      3.580406
  H      -2.692310      0.225545      4.797077
  H      -1.095493      2.823537      5.069620
  H      -0.885113      1.333197      6.030183
  H      -1.974697      5.852927      6.865285
  H      -1.337174      4.907870      5.513788
  H      -2.693452      3.914579      8.074013
  H      -1.025889      3.557949      7.542904
  H      -4.954618      1.070814      8.435864
  H      -4.300927      2.666643      8.839381
  H      -3.241487      0.583641      6.860538
  H      -2.366292      1.305833      8.238809
  C      -4.052441      1.687701      2.700843
  C      -4.794260      0.349432      2.662748
  C      -5.374507      0.032444      1.268183
  C      -4.320054     -0.089530      0.204201
  N      -4.147677      0.960317     -0.608881
  C      -3.155995      0.874765     -1.528020
  N      -2.313436     -0.125270     -1.728050
  C      -2.477264     -1.216911     -0.916570
  C      -1.622098     -2.332308     -1.077134
  C      -1.772708     -3.450071     -0.273220
  C      -2.781002     -3.491782      0.712493
  C      -3.630066     -2.413324      0.894009
  C      -3.497884     -1.251797      0.089130
  C      -3.877724      6.348151      5.279593
  C      -3.151227      6.947841      4.062422
  C      -3.696862      6.430467      2.728900
  C      -5.120605      6.867546      2.476338
  N      -5.485058      8.061873      2.955810
  C      -6.776184      8.430033      2.803030
  N      -7.767217      7.720895      2.287258
  C      -7.420270      6.498154      1.779756
  C      -8.430140      5.662362      1.246671
  C      -8.101768      4.427884      0.704446
  C      -6.755874      4.003545      0.652969
  C      -5.749320      4.793839      1.186811
  C      -6.060035      6.040258      1.792770
  C      -6.643000      2.795975      7.310791
  C      -6.907235      4.264741      7.663000
  C      -8.316341      4.538076      8.184184
  C      -9.459114      4.435430      7.206349
  N      -9.219192      4.225454      5.898692
  C     -10.281242      4.152426      5.061668
  N     -11.562099      4.247667      5.366204
  C     -11.846536      4.475963      6.691482
  C     -13.192615      4.602301      7.094906
  C     -13.508743      4.842375      8.426836
  C     -12.489123      4.964512      9.387251
  C     -11.155568      4.843550      9.018366
  C     -10.802824      4.591475      7.668045
  H      -3.213615      1.671107      1.979964
  H      -4.733957      2.485967      2.379780
  H      -5.617984      0.385725      3.393916
  H      -4.119915     -0.464175      2.972962
  H      -5.959668     -0.897807      1.333401
  H      -6.062702      0.835822      0.969909
  H      -3.040852      1.747390     -2.180050
  H      -0.854175     -2.280814     -1.850403
  H      -1.111385     -4.308376     -0.404535
  H      -2.893236     -4.382599      1.333023
  H      -4.410707     -2.459172      1.654000
  H      -4.960257      6.345875      5.091220
  H      -3.704498      7.005909      6.153064
  H      -2.072845      6.735171      4.127832
  H      -3.270240      8.039782      4.093825
  H      -3.061254      6.798110      1.903458
  H      -3.632997      5.332895      2.698445
  H      -7.030721      9.427681      3.177144
  H      -9.459676      6.021819      1.274825
  H      -8.884462      3.786382      0.295762
  H      -6.500424      3.051017      0.184706
  H      -4.714957      4.454720      1.135112
  H      -6.906499      2.163973      8.178527
  H      -7.302430      2.490679      6.485236
  H      -6.186332      4.572436      8.437748
  H      -6.697688      4.890367      6.781766
  H      -8.526579      3.865035      9.035139
  H      -8.341300      5.553790      8.619588
  H     -10.036797      3.993531      4.005316
  H     -13.965695      4.508940      6.330807
  H     -14.552796      4.939539      8.729590
  H     -12.747313      5.156747     10.430162
  H     -10.375812      4.944614      9.773501
  N      -5.892029      3.744098      4.493948
  N      -7.100031      3.985546      4.116501
  H      -7.860538      4.146063      4.852182
  H      -7.307750      3.960484      3.114147
99
Coordinates from ORCA-job orca E -6259.116406805854
  N      -3.530418      2.036405      4.030625
  Mo     -4.375676      3.272381      5.321754
  N      -5.240048      2.534219      6.944116
  C      -4.429623      1.950420      8.005162
  C      -3.087882      1.514218      7.437616
  N      -2.579186      2.549152      6.505142
  C      -1.612314      1.997776      5.522031
  C      -2.369668      1.248059      4.437834
  C      -2.051840      3.748069      7.202386
  C      -2.145209      4.955428      6.280111
  N      -3.465188      5.004377      5.648367
  H      -1.696864      1.087408      3.575481
  H      -2.663657      0.240885      4.791343
  H      -1.087443      2.850547      5.070780
  H      -0.866089      1.358479      6.026060
  H      -1.979560      5.867125      6.882699
  H      -1.333247      4.932981      5.527552
  H      -2.686971      3.920761      8.081667
  H      -1.017740      3.573673      7.549439
  H      -4.936017      1.068089      8.437406
  H      -4.289096      2.665705      8.842032
  H      -3.225197      0.593993      6.853180
  H      -2.352751      1.310662      8.236086
  C      -4.053839      1.686474      2.711914
  C      -4.794583      0.347048      2.691559
  C      -5.396547      0.023088      1.307646
  C      -4.360078     -0.099388      0.226173
  N      -4.206998      0.947329     -0.594643
  C      -3.232559      0.861784     -1.531884
  N      -2.390644     -0.136131     -1.744207
  C      -2.534408     -1.224565     -0.924662
  C      -1.677954     -2.337177     -1.097009
  C      -1.807492     -3.451469     -0.284717
  C      -2.795520     -3.492365      0.721343
  C      -3.645645     -2.416731      0.914397
  C      -3.534966     -1.258767      0.101123
  C      -3.878474      6.357641      5.288483
  C      -3.145513      6.961375      4.077304
  C      -3.681231      6.443419      2.740079
  C      -5.103721      6.879471      2.478203
  N      -5.471626      8.073350      2.955486
  C      -6.762330      8.440571      2.795590
  N      -7.749719      7.730950      2.273954
  C      -7.399084      6.508442      1.768651
  C      -8.405674      5.671643      1.230821
  C      -8.073847      4.436656      0.692421
  C      -6.727558      4.012178      0.649442
  C      -5.724652      4.803905      1.187804
  C      -6.038902      6.051021      1.790014
  C      -6.635004      2.787224      7.315084
  C      -6.906390      4.254757      7.667222
  C      -8.319382      4.524346      8.179286
  C      -9.455745      4.419508      7.194751
  N      -9.207646      4.214449      5.887676
  C     -10.265056      4.140024      5.044868
  N     -11.547885      4.228967      5.342593
  C     -11.840684      4.452744      6.666880
  C     -13.189447      4.573410      7.062859
  C     -13.513966      4.810029      8.393396
  C     -12.500178      4.934134      9.359646
  C     -11.164119      4.818420      8.998124
  C     -10.802779      4.569859      7.649382
  H      -3.221190      1.663966      1.984044
  H      -4.738673      2.481416      2.389671
  H      -5.606560      0.386332      3.435559
  H      -4.114501     -0.464449      2.994502
  H      -5.976913     -0.909188      1.385816
  H      -6.092499      0.823099      1.018649
  H      -3.132550      1.732138     -2.189444
  H      -0.925640     -2.286283     -1.885505
  H      -1.145285     -4.307676     -0.424934
  H      -2.891219     -4.380381      1.348630
  H      -4.410493     -2.462088      1.690291
  H      -4.959591      6.350745      5.092053
  H      -3.714843      7.015324      6.163859
  H      -2.066959      6.751710      4.149515
  H      -3.267485      8.052963      4.108725
  H      -3.041023      6.812398      1.918816
  H      -3.615997      5.345855      2.709886
  H      -7.019768      9.437605      3.169238
  H      -9.435542      6.030545      1.253510
  H      -8.854061      3.794127      0.280585
  H      -6.467975      3.059167      0.184303
  H      -4.690447      4.463414      1.145255
  H      -6.895528      2.153808      8.182772
  H      -7.292894      2.479192      6.489133
  H      -6.191612      4.563919      8.447139
  H      -6.692646      4.881886      6.788116
  H      -8.533697      3.851328      9.029197
  H      -8.349513      5.540387      8.613885
  H     -10.014489      3.986862      3.989072
  H     -13.957780      4.478996      6.294110
  H     -14.560035      4.903087      8.690423
  H     -12.764872      5.123836     10.401388
  H     -10.389150      4.921290      9.757873
  N      -5.881467      3.753231      4.499406
  N      -7.085128      4.006036      4.114375
  H      -7.849323      4.155320      4.848804
  H      -7.291584      3.966354      3.112381
99
Coordinates from ORCA-job orca E -6259.116608776130
  N      -3.524974      2.048603      4.034286
  Mo     -4.368066      3.283539      5.328419
  N      -5.231697      2.534840      6.946549
  C      -4.416937      1.953118      8.005274
  C      -3.074785      1.522596      7.433973
  N      -2.567952      2.563038      6.505972
  C      -1.601138      2.017759      5.519612
  C      -2.357263      1.267324      4.434906
  C      -2.043309      3.760182      7.207999
  C      -2.140391      4.970580      6.289963
  N      -3.460068      5.016871      5.657035
  H      -1.686327      1.114372      3.569664
  H      -2.642981      0.256761      4.785625
  H      -1.080610      2.874012      5.069852
  H      -0.851143      1.380167      6.020211
  H      -1.978769      5.880608      6.896256
  H      -1.327649      4.954027      5.538164
  H      -2.678644      3.927597      8.088129
  H      -1.008616      3.587079      7.553820
  H      -4.917869      1.068018      8.438357
  H      -4.276706      2.667243      8.843265
  H      -3.211126      0.605638      6.844344
  H      -2.339095      1.315739      8.231112
  C      -4.058845      1.688536      2.722519
  C      -4.800130      0.348929      2.719717
  C      -5.421798      0.017692      1.346196
  C      -4.402087     -0.106083      0.249289
  N      -4.266791      0.937028     -0.579000
  C      -3.308171      0.850729     -1.532260
  N      -2.466665     -0.145363     -1.754554
  C      -2.592048     -1.230068     -0.927095
  C      -1.734211     -2.340135     -1.108651
  C      -1.844532     -3.450431     -0.288134
  C      -2.814407     -3.489833      0.735512
  C      -3.665740     -2.416814      0.937516
  C      -3.574486     -1.262896      0.116146
  C      -3.874009      6.369133      5.294473
  C      -3.134263      6.974819      4.088396
  C      -3.659955      6.455631      2.747646
  C      -5.080929      6.890985      2.475686
  N      -5.452485      8.084653      2.949904
  C      -6.742423      8.451270      2.781152
  N      -7.725811      7.741247      2.252890
  C      -7.371226      6.518659      1.750778
  C      -8.373974      5.680757      1.207352
  C      -8.038479      4.444494      0.674642
  C      -6.691839      4.019725      0.641893
  C      -5.692948      4.813595      1.184360
  C      -6.011209      6.061655      1.781911
  C      -6.628055      2.779674      7.318161
  C      -6.908388      4.245464      7.671590
  C      -8.324924      4.508615      8.177203
  C      -9.456080      4.401846      7.187167
  N      -9.200574      4.203990      5.880413
  C     -10.253565      4.127875      5.032169
  N     -11.538208      4.208211      5.324058
  C     -11.838710      4.424596      6.647927
  C     -13.190034      4.536238      7.037563
  C     -13.522478      4.766021      8.367347
  C     -12.514113      4.891952      9.339000
  C     -11.175671      4.784692      8.983776
  C     -10.806197      4.543190      7.635919
  H      -3.232458      1.658775      1.987792
  H      -4.745856      2.481160      2.399307
  H      -5.601060      0.392571      3.475284
  H      -4.115716     -0.460963      3.017011
  H      -5.998180     -0.916017      1.436308
  H      -6.124185      0.814720      1.064671
  H      -3.222015      1.718275     -2.195461
  H      -0.995997     -2.290493     -1.910431
  H      -1.181327     -4.304699     -0.435297
  H      -2.895122     -4.374613      1.369446
  H      -4.416429     -2.461097      1.727229
  H      -4.953639      6.359602      5.090225
  H      -3.718060      7.027135      6.171050
  H      -2.055771      6.767430      4.167652
  H      -3.258390      8.066155      4.118960
  H      -3.014522      6.824645      1.930532
  H      -3.593911      5.357996      2.718467
  H      -7.002732      9.448048      3.153288
  H      -9.404038      6.039490      1.222638
  H      -8.815914      3.800538      0.259754
  H      -6.428035      3.065021      0.182424
  H      -4.658563      4.472558      1.150879
  H      -6.885237      2.144105      8.185266
  H      -7.284177      2.468734      6.491735
  H      -6.199006      4.556875      8.455591
  H      -6.693083      4.874529      6.794319
  H      -8.541037      3.833719      9.025116
  H      -8.360855      5.524085      8.612953
  H      -9.997229      3.981490      3.976621
  H     -13.953919      4.440844      6.264514
  H     -14.570485      4.852389      8.659505
  H     -12.784921      5.076403     10.380114
  H     -10.405248      4.888969      9.747947
  N      -5.871485      3.767889      4.504327
  N      -7.069829      4.034395      4.111421
  H      -7.838334      4.170972      4.843087
  H      -7.273123      3.983084      3.109416
99
Coordinates from ORCA-job orca E -6259.116785155853
  N      -3.525887      2.069509      4.029107
  Mo     -4.362388      3.302777      5.328568
  N      -5.218131      2.538903      6.937486
  C      -4.404854      1.955071      7.995592
  C      -3.062555      1.530696      7.422744
  N      -2.557566      2.580017      6.500652
  C      -1.594416      2.035493      5.509103
  C      -2.355188      1.288958      4.423520
  C      -2.029012      3.772684      7.206260
  C      -2.127637      4.984146      6.289494
  N      -3.450684      5.033102      5.662272
  H      -1.687983      1.136898      3.555358
  H      -2.640557      0.277992      4.773601
  H      -1.073100      2.891998      5.060760
  H      -0.844374      1.394588      6.005156
  H      -1.961051      5.894331      6.894154
  H      -1.318755      4.965357      5.534026
  H      -2.661299      3.937560      8.089144
  H      -0.993273      3.597199      7.547379
  H      -4.902742      1.069916      8.430924
  H      -4.260961      2.669263      8.833067
  H      -3.199227      0.621312      6.821817
  H      -2.325673      1.316319      8.216424
  C      -4.076249      1.699685      2.726422
  C      -4.819805      0.360382      2.745779
  C      -5.455477      0.015147      1.382741
  C      -4.448848     -0.114530      0.275932
  N      -4.328810      0.921857     -0.562304
  C      -3.382519      0.831903     -1.527389
  N      -2.539190     -0.162744     -1.751661
  C      -2.648546     -1.240256     -0.912520
  C      -1.786728     -2.347366     -1.093478
  C      -1.880345     -3.450057     -0.260612
  C      -2.837871     -3.485053      0.774829
  C      -3.693297     -2.415195      0.975785
  C      -3.618128     -1.268818      0.142721
  C      -3.861001      6.385913      5.298204
  C      -3.116550      6.992766      4.095580
  C      -3.633696      6.470975      2.752124
  C      -5.053677      6.905665      2.470594
  N      -5.429097      8.099200      2.941312
  C      -6.717455      8.466672      2.760280
  N      -7.696146      7.757999      2.221806
  C      -7.337595      6.534788      1.724354
  C      -8.335695      5.696433      1.172847
  C      -7.997650      4.455627      0.652581
  C      -6.651485      4.027952      0.636609
  C      -5.656933      4.825658      1.181137
  C      -5.978426      6.076684      1.769469
  C      -6.619142      2.773187      7.311238
  C      -6.910532      4.233802      7.680314
  C      -8.329786      4.482190      8.187081
  C      -9.455713      4.388041      7.189574
  N      -9.188205      4.219880      5.881881
  C     -10.232410      4.154421      5.021951
  N     -11.519942      4.218871      5.304458
  C     -11.833249      4.403252      6.630477
  C     -13.188809      4.494331      7.010295
  C     -13.534908      4.691440      8.341821
  C     -12.535949      4.804307      9.324929
  C     -11.193691      4.716231      8.979587
  C     -10.810292      4.508137      7.630069
  H      -3.259134      1.658800      1.981952
  H      -4.764921      2.490933      2.404102
  H      -5.611186      0.411532      3.510701
  H      -4.131420     -0.445760      3.044054
  H      -6.030817     -0.918059      1.484862
  H      -6.160913      0.809199      1.099657
  H      -3.308535      1.693520     -2.199621
  H      -1.058658     -2.301755     -1.904698
  H      -1.213937     -4.301946     -0.407186
  H      -2.906029     -4.363625      1.418768
  H      -4.434187     -2.456276      1.775191
  H      -4.939296      6.377156      5.087767
  H      -3.708035      7.042483      6.176575
  H      -2.037993      6.788158      4.180629
  H      -3.242984      8.083783      4.125133
  H      -2.983514      6.837435      1.937753
  H      -3.566908      5.373086      2.725590
  H      -6.980244      9.463336      3.130724
  H      -9.365075      6.057474      1.174515
  H      -8.772300      3.809676      0.235563
  H      -6.384342      3.066578      0.192806
  H      -4.622016      4.484596      1.158864
  H      -6.873591      2.128450      8.172037
  H      -7.273139      2.465450      6.481912
  H      -6.204901      4.542577      8.468693
  H      -6.699019      4.871483      6.808848
  H      -8.545643      3.792669      9.023051
  H      -8.371146      5.490386      8.639271
  H      -9.965273      4.031019      3.965306
  H     -13.944868      4.409713      6.228370
  H     -14.586112      4.762368      8.626476
  H     -12.817290      4.963236     10.367469
  H     -10.431375      4.809373      9.753465
  N      -5.866358      3.789375      4.506303
  N      -7.059264      4.074712      4.107699
  H      -7.830415      4.190763      4.835050
  H      -7.260464      4.009341      3.105945
99
Coordinates from ORCA-job orca E -6259.117006581524
  N      -3.519291      2.079846      4.035292
  Mo     -4.354049      3.314389      5.335862
  N      -5.213610      2.542022      6.941940
  C      -4.394377      1.963268      7.998700
  C      -3.051755      1.540505      7.421227
  N      -2.548151      2.590573      6.502026
  C      -1.584556      2.052886      5.508134
  C      -2.342937      1.305364      4.423017
  C      -2.022955      3.782115      7.212743
  C      -2.123277      4.998202      6.301833
  N      -3.444231      5.045897      5.670372
  H      -1.677135      1.161652      3.552262
  H      -2.619721      0.290742      4.769495
  H      -1.068196      2.913003      5.060894
  H      -0.830410      1.414540      6.001386
  H      -1.962202      5.905749      6.912077
  H      -1.311597      4.986355      5.549077
  H      -2.656824      3.941943      8.095336
  H      -0.987285      3.607372      7.554590
  H      -4.886894      1.074701      8.433836
  H      -4.253754      2.676540      8.837577
  H      -3.189197      0.631239      6.820278
  H      -2.313617      1.325546      8.213752
  C      -4.077407      1.700468      2.738997
  C      -4.822268      0.362264      2.773371
  C      -5.477620      0.013045      1.420483
  C      -4.487396     -0.118318      0.298430
  N      -4.382072      0.915380     -0.545375
  C      -3.450956      0.823705     -1.524854
  N      -2.610149     -0.170388     -1.759616
  C      -2.704482     -1.245298     -0.915393
  C      -1.844400     -2.351882     -1.107336
  C      -1.922818     -3.452090     -0.269721
  C      -2.862782     -3.484928      0.781735
  C      -3.716077     -2.415448      0.993814
  C      -3.656541     -1.271622      0.155849
  C      -3.854931      6.398069      5.304397
  C      -3.103004      7.006642      4.107299
  C      -3.609864      6.484728      2.760179
  C      -5.027296      6.919351      2.467230
  N      -5.405784      8.113656      2.932877
  C      -6.692957      8.480725      2.742250
  N      -7.667765      7.770845      2.198615
  C      -7.305863      6.546579      1.706210
  C      -8.300179      5.707149      1.149565
  C      -7.958130      4.466309      0.632464
  C      -6.611744      4.038779      0.625527
  C      -5.621385      4.836698      1.177188
  C      -5.947164      6.088546      1.761542
  C      -6.614988      2.768367      7.313651
  C      -6.915303      4.228554      7.676139
  C      -8.338092      4.472058      8.175036
  C      -9.461593      4.364466      7.176204
  N      -9.193305      4.190902      5.868968
  C     -10.238269      4.112552      5.010899
  N     -11.526088      4.168278      5.293857
  C     -11.839946      4.358950      6.618709
  C     -13.195849      4.442939      6.998942
  C     -13.542377      4.646782      8.329348
  C     -12.543529      4.773595      9.310781
  C     -11.200895      4.692761      8.964904
  C     -10.816983      4.478002      7.616554
  H      -3.265052      1.653018      1.989710
  H      -4.767438      2.489883      2.414741
  H      -5.603238      0.418067      3.548613
  H      -4.131361     -0.444112      3.065060
  H      -6.049088     -0.921227      1.533919
  H      -6.188969      0.805091      1.147151
  H      -3.388615      1.683427     -2.200723
  H      -1.129775     -2.307853     -1.930521
  H      -1.257915     -4.303652     -0.424724
  H      -2.918998     -4.361623      1.429383
  H      -4.443562     -2.454978      1.805369
  H      -4.931808      6.387126      5.086667
  H      -3.709613      7.055134      6.183659
  H      -2.024743      6.803505      4.199391
  H      -3.231058      8.097497      4.136370
  H      -2.953548      6.851616      1.950915
  H      -3.543133      5.386931      2.734208
  H      -6.958286      9.478137      3.108774
  H      -9.329694      6.067758      1.144420
  H      -8.729715      3.820102      0.210164
  H      -6.340518      3.078546      0.181742
  H      -4.586614      4.494949      1.163450
  H      -6.865908      2.124867      8.176542
  H      -7.266125      2.454158      6.484390
  H      -6.215038      4.543396      8.466949
  H      -6.702418      4.864706      6.803701
  H      -8.552848      3.787146      9.015071
  H      -8.386764      5.483167      8.619973
  H      -9.971653      3.985425      3.954946
  H     -13.951860      4.347614      6.218195
  H     -14.593851      4.712164      8.614358
  H     -12.825193      4.937816     10.352412
  H     -10.438634      4.797112      9.737316
  N      -5.852925      3.809460      4.510350
  N      -7.038949      4.109556      4.103397
  H      -7.815790      4.212958      4.828114
  H      -7.237494      4.032201      3.102146
99
Coordinates from ORCA-job orca E -6259.117204003048
  N      -3.514213      2.091630      4.039729
  Mo     -4.346863      3.326231      5.342182
  N      -5.206470      2.543258      6.943138
  C      -4.384242      1.971087      8.001204
  C      -3.040912      1.550632      7.422033
  N      -2.539002      2.602293      6.503919
  C      -1.575799      2.069090      5.507575
  C      -2.333672      1.321354      4.422487
  C      -2.015434      3.793034      7.217342
  C      -2.118200      5.012015      6.310391
  N      -3.438799      5.058599      5.678335
  H      -1.669532      1.182776      3.549579
  H      -2.605031      0.304479      4.766869
  H      -1.062566      2.931539      5.061161
  H      -0.818910      1.431985      5.998294
  H      -1.959807      5.917944      6.923807
  H      -1.305986      5.004631      5.558118
  H      -2.649295      3.949282      8.100533
  H      -0.979337      3.619153      7.558365
  H      -4.872537      1.081217      8.438710
  H      -4.245860      2.686266      8.838746
  H      -3.178122      0.641661      6.820621
  H      -2.301946      1.335777      8.213902
  C      -4.081516      1.703129      2.750283
  C      -4.827791      0.366139      2.799868
  C      -5.500654      0.012669      1.456833
  C      -4.525361     -0.118999      0.321630
  N      -4.433512      0.913427     -0.525367
  C      -3.515999      0.821822     -1.517549
  N      -2.676949     -0.171218     -1.762508
  C      -2.757398     -1.244755     -0.915095
  C      -1.898146     -2.350133     -1.117331
  C      -1.962488     -3.448886     -0.276629
  C      -2.887050     -3.481342      0.788411
  C      -3.739216     -2.413024      1.010752
  C      -3.694023     -1.270786      0.169712
  C      -3.850253      6.410187      5.310992
  C      -3.093637      7.018729      4.116844
  C      -3.591820      6.492260      2.768327
  C      -5.007251      6.925360      2.463773
  N      -5.389479      8.120872      2.922680
  C      -6.674915      8.487845      2.719651
  N      -7.644829      7.777076      2.168790
  C      -7.279146      6.551062      1.683556
  C      -8.268786      5.710702      1.120041
  C      -7.922791      4.468276      0.609783
  C      -6.576799      4.039302      0.616962
  C      -5.591397      4.838029      1.176186
  C      -5.921447      6.092208      1.753120
  C      -6.608899      2.762283      7.313545
  C      -6.915705      4.219831      7.680647
  C      -8.341643      4.456461      8.173509
  C      -9.460251      4.347059      7.169465
  N      -9.185746      4.180431      5.862569
  C     -10.227121      4.100044      5.000289
  N     -11.516322      4.147954      5.278369
  C     -11.836374      4.331710      6.602695
  C     -13.194193      4.407296      6.977897
  C     -13.546961      4.604256      8.307688
  C     -12.552584      4.732594      9.293461
  C     -11.208203      4.660029      8.952530
  C     -10.817942      4.452120      7.604935
  H      -3.274666      1.648734      1.995507
  H      -4.772895      2.490705      2.424526
  H      -5.599047      0.426270      3.584467
  H      -4.134350     -0.439986      3.086258
  H      -6.068444     -0.922644      1.579869
  H      -6.217248      0.802777      1.191733
  H      -3.464647      1.680500     -2.195673
  H      -1.195400     -2.306378     -1.950696
  H      -1.298330     -4.299548     -0.439546
  H      -2.932250     -4.356859      1.438516
  H      -4.454862     -2.452320      1.832765
  H      -4.926078      6.397543      5.088212
  H      -3.710028      7.067938      6.190589
  H      -2.015349      6.818701      4.215001
  H      -3.224555      8.109336      4.142820
  H      -2.930564      6.856807      1.962025
  H      -3.524644      5.394456      2.746450
  H      -6.943185      9.486205      3.081464
  H      -9.297915      6.072118      1.104085
  H      -8.690846      3.821628      0.181729
  H      -6.301649      3.077825      0.177997
  H      -4.556960      4.495179      1.174059
  H      -6.858089      2.114678      8.173904
  H      -7.257276      2.448405      6.482011
  H      -6.220473      4.533792      8.476245
  H      -6.700738      4.860260      6.811878
  H      -8.557628      3.768542      9.010746
  H      -8.396146      5.466246      8.620790
  H      -9.955806      3.980011      3.944833
  H     -13.946592      4.311085      6.193773
  H     -14.599853      4.663166      8.588857
  H     -12.839125      4.891578     10.334576
  H     -10.449574      4.765722      9.728294
  N      -5.844219      3.824656      4.516299
  N      -7.025770      4.137271      4.103873
  H      -7.806301      4.225964      4.826858
  H      -7.223830      4.046397      3.103576
99
Coordinates from ORCA-job orca E -6259.117082844878
  N      -3.514274      2.098550      4.047983
  Mo     -4.344575      3.338300      5.346891
  N      -5.214655      2.553620      6.955817
  C      -4.370502      2.001428      8.011912
  C      -3.031996      1.568640      7.437908
  N      -2.538926      2.603133      6.508560
  C      -1.578800      2.070230      5.511554
  C      -2.340169      1.320527      4.431642
  C      -2.015298      3.798818      7.215694
  C      -2.115646      5.019443      6.314236
  N      -3.432899      5.070158      5.682486
  H      -1.676717      1.177885      3.558663
  H      -2.615712      0.304909      4.777117
  H      -1.066869      2.930949      5.060377
  H      -0.820660      1.434789      6.002952
  H      -1.956029      5.924132      6.929131
  H      -1.302616      5.011490      5.561990
  H      -2.649412      3.956956      8.098148
  H      -0.979284      3.626409      7.558669
  H      -4.858092      1.114869      8.458290
  H      -4.233874      2.729479      8.837626
  H      -3.172952      0.644331      6.860596
  H      -2.287438      1.371254      8.229571
  C      -4.085729      1.707402      2.762608
  C      -4.844039      0.379152      2.811889
  C      -5.520583      0.038984      1.468506
  C      -4.539753     -0.095632      0.335001
  N      -4.422311      0.944257     -0.501872
  C      -3.494459      0.845889     -1.484783
  N      -2.667381     -0.156637     -1.728492
  C      -2.774997     -1.237288     -0.893716
  C      -1.933090     -2.355404     -1.098602
  C      -2.028473     -3.462753     -0.272232
  C      -2.965547     -3.490298      0.781819
  C      -3.799495     -2.408269      1.008433
  C      -3.723787     -1.257786      0.180457
  C      -3.840966      6.424455      5.318370
  C      -3.089058      7.024633      4.116304
  C      -3.584213      6.489845      2.770672
  C      -4.994841      6.921912      2.451261
  N      -5.380920      8.118719      2.904067
  C      -6.660710      8.490766      2.679110
  N      -7.622452      7.784408      2.109199
  C      -7.253827      6.556284      1.630146
  C      -8.235711      5.725205      1.041557
  C      -7.883297      4.489252      0.520700
  C      -6.539780      4.053486      0.550007
  C      -5.562860      4.836328      1.146696
  C      -5.899993      6.089704      1.725839
  C      -6.613095      2.770234      7.321922
  C      -6.914436      4.223498      7.698548
  C      -8.341297      4.448318      8.190305
  C      -9.455772      4.319763      7.182996
  N      -9.177913      4.147420      5.876666
  C     -10.218952      4.046530      5.016679
  N     -11.509333      4.083283      5.294364
  C     -11.831100      4.274043      6.616842
  C     -13.189662      4.338156      6.993400
  C     -13.543006      4.539632      8.322289
  C     -12.549476      4.685968      9.306511
  C     -11.204610      4.627156      8.964138
  C     -10.814046      4.413490      7.617757
  H      -3.278657      1.648416      2.008307
  H      -4.772848      2.497428      2.433093
  H      -5.618026      0.445318      3.593862
  H      -4.160424     -0.435847      3.098003
  H      -6.094610     -0.892745      1.588513
  H      -6.231631      0.836113      1.209396
  H      -3.424333      1.709309     -2.155286
  H      -1.219957     -2.314735     -1.923323
  H      -1.378068     -4.323414     -0.437924
  H      -3.034813     -4.373113      1.419853
  H      -4.526280     -2.443598      1.820256
  H      -4.918979      6.417264      5.105137
  H      -3.690354      7.084787      6.194100
  H      -2.010189      6.827984      4.214267
  H      -3.224319      8.115180      4.134995
  H      -2.917194      6.848330      1.966102
  H      -3.519618      5.392681      2.756014
  H      -6.932418      9.489934      3.037149
  H      -9.262624      6.091697      1.007020
  H      -8.644332      3.854471      0.063322
  H      -6.262298      3.101794      0.091000
  H      -4.529376      4.489745      1.160547
  H      -6.863018      2.114147      8.176015
  H      -7.257208      2.466136      6.484334
  H      -6.218822      4.530921      8.496069
  H      -6.701057      4.873815      6.835930
  H      -8.551059      3.758193      9.027487
  H      -8.406703      5.456791      8.637701
  H      -9.945715      3.926089      3.963553
  H     -13.942019      4.227532      6.211111
  H     -14.596229      4.588262      8.604393
  H     -12.837079      4.848792     10.346741
  H     -10.445552      4.748147      9.736890
  N      -5.836356      3.844838      4.520054
  N      -7.010616      4.175291      4.100628
  H      -7.805702      4.245205      4.817919
  H      -7.205616      4.069147      3.100618
99
Coordinates from ORCA-job orca E -6259.117563824163
  N      -3.510876      2.117290      4.043434
  Mo     -4.337104      3.353704      5.347993
  N      -5.197770      2.556795      6.941714
  C      -4.371302      1.997417      8.005013
  C      -3.028256      1.571386      7.429219
  N      -2.529906      2.617984      6.505770
  C      -1.569636      2.088937      5.505071
  C      -2.331691      1.343368      4.421919
  C      -2.003940      3.808733      7.218524
  C      -2.105492      5.032247      6.318713
  N      -3.425794      5.084003      5.689648
  H      -1.670279      1.204544      3.546788
  H      -2.604245      0.326283      4.765409
  H      -1.058240      2.952115      5.057990
  H      -0.810776      1.451286      5.992348
  H      -1.944514      5.935585      6.935212
  H      -1.294095      5.026307      5.564971
  H      -2.636584      3.963834      8.102665
  H      -0.967624      3.633520      7.558852
  H      -4.860930      1.110396      8.447528
  H      -4.236969      2.721311      8.834876
  H      -3.167994      0.655876      6.837965
  H      -2.286860      1.363391      8.220917
  C      -4.095035      1.717324      2.765596
  C      -4.850062      0.386917      2.832937
  C      -5.543107      0.034937      1.500727
  C      -4.580296     -0.103217      0.353973
  N      -4.487561      0.929965     -0.493062
  C      -3.578256      0.832135     -1.492395
  N      -2.747198     -0.165723     -1.743638
  C      -2.829563     -1.240183     -0.897596
  C      -1.981037     -2.352285     -1.107886
  C      -2.050058     -3.452719     -0.269620
  C      -2.967508     -3.479611      0.801623
  C      -3.808148     -2.403916      1.033044
  C      -3.758501     -1.260329      0.193895
  C      -3.836097      6.437566      5.326281
  C      -3.077632      7.040549      4.130569
  C      -3.565023      6.499412      2.784448
  C      -4.975482      6.927655      2.454865
  N      -5.365749      8.127272      2.895396
  C      -6.645356      8.495654      2.659990
  N      -7.602896      7.783814      2.089955
  C      -7.229902      6.551966      1.624595
  C      -8.207663      5.712057      1.040920
  C      -7.852492      4.466983      0.544159
  C      -6.509406      4.031691      0.589619
  C      -5.536771      4.826992      1.175275
  C      -5.876433      6.088108      1.733240
  C      -6.600834      2.766501      7.305796
  C      -6.911147      4.216250      7.693337
  C      -8.341551      4.434521      8.180357
  C      -9.451990      4.319143      7.166941
  N      -9.167444      4.170389      5.859549
  C     -10.203732      4.080345      4.992338
  N     -11.495346      4.104888      5.264490
  C     -11.824339      4.271112      6.588584
  C     -13.184972      4.321191      6.959055
  C     -13.546163      4.498549      8.289288
  C     -12.558204      4.633656      9.280740
  C     -11.211421      4.587420      8.944495
  C     -10.812750      4.398842      7.596636
  H      -3.296434      1.652587      2.002788
  H      -4.786621      2.504149      2.438466
  H      -5.613114      0.455653      3.625180
  H      -4.159836     -0.423486      3.115775
  H      -6.113207     -0.897495      1.633452
  H      -6.259663      0.828230      1.244461
  H      -3.528196      1.690957     -2.170485
  H      -1.283650     -2.312617     -1.945979
  H      -1.394413     -4.308633     -0.439307
  H      -3.016327     -4.356722      1.449323
  H      -4.519044     -2.438786      1.859147
  H      -4.912327      6.427862      5.104621
  H      -3.693410      7.096053      6.204840
  H      -1.998705      6.847821      4.235546
  H      -3.215481      8.130694      4.146764
  H      -2.895320      6.854744      1.980842
  H      -3.497571      5.401972      2.776143
  H      -6.920166      9.497205      3.008653
  H      -9.234575      6.077301      0.995061
  H      -8.611218      3.823122      0.095695
  H      -6.228635      3.068891      0.156268
  H      -4.504224      4.480631      1.203503
  H      -6.851902      2.103890      8.154343
  H      -7.241509      2.465291      6.464411
  H      -6.221357      4.519872      8.497408
  H      -6.695336      4.872455      6.836592
  H      -8.554627      3.734578      9.008378
  H      -8.409546      5.438054      8.638917
  H      -9.925168      3.976210      3.938077
  H     -13.932654      4.219881      6.171056
  H     -14.601014      4.536867      8.566770
  H     -12.851773      4.777420     10.322116
  H     -10.457262      4.698805      9.723650
  N      -5.833643      3.860460      4.525524
  N      -7.011190      4.200177      4.114272
  H      -7.799274      4.243432      4.836531
  H      -7.216075      4.085047      3.117169
99
Coordinates from ORCA-job orca E -6259.117642765381
  N      -3.508829      2.134940      4.041478
  Mo     -4.327298      3.375643      5.348768
  N      -5.188907      2.559825      6.935102
  C      -4.357378      2.009730      7.999049
  C      -3.014665      1.587101      7.416987
  N      -2.516254      2.634324      6.497060
  C      -1.561730      2.101406      5.493239
  C      -2.328770      1.359591      4.412251
  C      -1.984069      3.820417      7.213880
  C      -2.087109      5.046134      6.315960
  N      -3.410857      5.102587      5.690998
  H      -1.671609      1.221161      3.533944
  H      -2.601249      0.342447      4.755252
  H      -1.048809      2.963471      5.045710
  H      -0.803316      1.460731      5.976931
  H      -1.921709      5.947986      6.933596
  H      -1.278578      5.039555      5.559687
  H      -2.612634      3.973808      8.101381
  H      -0.946846      3.640612      7.548386
  H      -4.836225      1.119577      8.446147
  H      -4.222993      2.734047      8.829184
  H      -3.156443      0.676033      6.819936
  H      -2.271362      1.374815      8.205410
  C      -4.103987      1.726561      2.771118
  C      -4.861097      0.396973      2.860514
  C      -5.571543      0.028457      1.540866
  C      -4.628273     -0.121511      0.381141
  N      -4.555965      0.899582     -0.481349
  C      -3.666356      0.792004     -1.497004
  N      -2.837505     -0.207141     -1.751778
  C      -2.898498     -1.269506     -0.888762
  C      -2.048866     -2.380576     -1.099884
  C      -2.094142     -3.468365     -0.243723
  C      -2.989473     -3.483769      0.846329
  C      -3.831705     -2.409520      1.077833
  C      -3.805462     -1.278279      0.221284
  C      -3.816167      6.456657      5.326404
  C      -3.050311      7.069198      4.140134
  C      -3.524133      6.535970      2.785853
  C      -4.932351      6.967910      2.449237
  N      -5.325409      8.164392      2.893573
  C      -6.604480      8.532701      2.652425
  N      -7.558475      7.822938      2.074073
  C      -7.181331      6.594051      1.605390
  C      -8.155148      5.753498      1.015287
  C      -7.796846      4.507636      0.523471
  C      -6.453021      4.073978      0.575584
  C      -5.484228      4.873676      1.160550
  C      -5.828005      6.132295      1.718352
  C      -6.597459      2.753231      7.300321
  C      -6.930188      4.200433      7.686857
  C      -8.363622      4.405863      8.173283
  C      -9.474539      4.279961      7.162553
  N      -9.189339      4.132999      5.855523
  C     -10.224479      4.033323      4.987650
  N     -11.515754      4.044550      5.259836
  C     -11.846722      4.208317      6.584078
  C     -13.207812      4.244955      6.953120
  C     -13.571961      4.421118      8.282753
  C     -12.585896      4.567411      9.274412
  C     -11.238509      4.533189      8.939596
  C     -10.836469      4.346657      7.592242
  H      -3.312685      1.649223      2.001999
  H      -4.794682      2.513373      2.442643
  H      -5.611485      0.475965      3.663443
  H      -4.167738     -0.410804      3.142270
  H      -6.139248     -0.902992      1.690501
  H      -6.292192      0.817817      1.284698
  H      -3.630865      1.641617     -2.187445
  H      -1.368746     -2.350172     -1.952377
  H      -1.437474     -4.323480     -0.413603
  H      -3.020044     -4.350674      1.508713
  H      -4.524821     -2.435744      1.919537
  H      -4.890396      6.447175      5.096151
  H      -3.679457      7.110968      6.209181
  H      -1.971704      6.878701      4.252104
  H      -3.190801      8.158704      4.162814
  H      -2.847390      6.895520      1.990217
  H      -3.457313      5.437892      2.770981
  H      -6.881187      9.532330      3.003652
  H      -9.182318      6.117396      0.965148
  H      -8.553134      3.860853      0.075048
  H      -6.166755      3.108752      0.151513
  H      -4.450875      4.528220      1.195096
  H      -6.841763      2.089344      8.149618
  H      -7.235253      2.441834      6.459819
  H      -6.246004      4.514748      8.491848
  H      -6.720686      4.856101      6.828339
  H      -8.570024      3.707408      9.004073
  H      -8.440706      5.411199      8.627496
  H      -9.945535      3.930430      3.932095
  H     -13.953651      4.135690      6.164445
  H     -14.627333      4.449943      8.559262
  H     -12.881476      4.710211     10.315349
  H     -10.486738      4.652830      9.720020
  N      -5.815196      3.896884      4.522473
  N      -6.977618      4.258050      4.094222
  H      -7.769638      4.296419      4.807177
  H      -7.176367      4.125222      3.099027
99
Coordinates from ORCA-job orca E -6259.117933147193
  N      -3.505430      2.146762      4.044256
  Mo     -4.322703      3.386005      5.353152
  N      -5.182514      2.565848      6.933165
  C      -4.356800      2.018808      8.002877
  C      -3.012060      1.595162      7.424775
  N      -2.513201      2.643129      6.502479
  C      -1.557645      2.114657      5.497063
  C      -2.323881      1.373089      4.414674
  C      -1.982103      3.829715      7.219026
  C      -2.085219      5.057384      6.324036
  N      -3.408381      5.113779      5.699713
  H      -1.666590      1.236685      3.536017
  H      -2.594559      0.354950      4.756604
  H      -1.046710      2.978651      5.050946
  H      -0.797607      1.474722      5.979385
  H      -1.920654      5.957948      6.943785
  H      -1.276474      5.053290      5.567655
  H      -2.611117      3.982158      8.106300
  H      -0.944912      3.650677      7.554388
  H      -4.839818      1.130911      8.450528
  H      -4.225976      2.746840      8.829776
  H      -3.152702      0.681807      6.830710
  H      -2.270077      1.385136      8.215251
  C      -4.109635      1.730165      2.780963
  C      -4.867368      0.402479      2.880593
  C      -5.591997      0.036242      1.568624
  C      -4.659580     -0.110977      0.398834
  N      -4.595942      0.912386     -0.462364
  C      -3.715164      0.807663     -1.485967
  N      -2.887238     -0.189653     -1.749845
  C      -2.939866     -1.254364     -0.889068
  C      -2.091604     -2.364474     -1.110374
  C      -2.129576     -3.454705     -0.256892
  C      -3.015413     -3.473312      0.840797
  C      -3.855690     -2.399731      1.082877
  C      -3.837077     -1.266295      0.228893
  C      -3.816239      6.467966      5.336958
  C      -3.047604      7.076048      4.150532
  C      -3.514501      6.529907      2.799285
  C      -4.919658      6.957433      2.445668
  N      -5.316727      8.158436      2.873803
  C      -6.591576      8.527445      2.611563
  N      -7.537996      7.815487      2.024087
  C      -7.157700      6.580891      1.572591
  C      -8.124756      5.739223      0.973360
  C      -7.762896      4.488521      0.497069
  C      -6.422431      4.049134      0.576267
  C      -5.460846      4.848834      1.172861
  C      -5.808123      6.115211      1.711981
  C      -6.591009      2.756314      7.292821
  C      -6.922363      4.198825      7.693123
  C      -8.357845      4.396616      8.175390
  C      -9.463369      4.273679      7.158060
  N      -9.171888      4.138743      5.850842
  C     -10.203663      4.039831      4.979077
  N     -11.496255      4.042130      5.246574
  C     -11.832768      4.194044      6.570611
  C     -13.195360      4.220626      6.935719
  C     -13.564556      4.384265      8.265525
  C     -12.582572      4.528375      9.261613
  C     -11.233938      4.504423      8.930714
  C     -10.826900      4.330259      7.583292
  H      -3.323434      1.649659      2.006801
  H      -4.803002      2.514510      2.452409
  H      -5.611235      0.482785      3.689701
  H      -4.172990     -0.406461      3.156945
  H      -6.157143     -0.895874      1.723376
  H      -6.316065      0.825702      1.322365
  H      -3.687939      1.658993     -2.174748
  H      -1.418838     -2.331470     -1.968614
  H      -1.474124     -4.309084     -0.434904
  H      -3.040107     -4.342272      1.500742
  H      -4.541755     -2.428284      1.930088
  H      -4.890241      6.458010      5.105223
  H      -3.681568      7.123598      6.219046
  H      -1.968792      6.890525      4.268525
  H      -3.192250      8.165284      4.164428
  H      -2.833103      6.881907      2.004134
  H      -3.447006      5.432216      2.796373
  H      -6.871661      9.530374      2.951399
  H      -9.149449      6.106698      0.902517
  H      -8.513937      3.842041      0.039430
  H      -6.134259      3.079587      0.162612
  H      -4.430417      4.499223      1.229210
  H      -6.838795      2.083161      8.133948
  H      -7.224137      2.455209      6.445567
  H      -6.241163      4.503740      8.504100
  H      -6.709823      4.864630      6.843188
  H      -8.565314      3.689672      8.998792
  H      -8.440041      5.397144      8.638613
  H      -9.920218      3.947726      3.924523
  H     -13.938175      4.113188      6.143935
  H     -14.620943      4.404953      8.538964
  H     -12.882371      4.661444     10.302638
  H     -10.484962      4.622549      9.713934
  N      -5.815090      3.904960      4.531039
  N      -6.982343      4.273967      4.111553
  H      -7.774636      4.287187      4.827756
  H      -7.188319      4.131309      3.118398
99
Coordinates from ORCA-job orca E -6259.118132853844
  N      -3.504151      2.151533      4.053782
  Mo     -4.318549      3.394462      5.360695
  N      -5.178126      2.571231      6.939091
  C      -4.351442      2.033107      8.012956
  C      -3.006426      1.608138      7.439793
  N      -2.508541      2.652645      6.512195
  C      -1.555218      2.119704      5.507002
  C      -2.324382      1.376213      4.426980
  C      -1.974551      3.840910      7.223578
  C      -2.078048      5.065725      6.325805
  N      -3.402731      5.122638      5.705553
  H      -1.667816      1.234447      3.548603
  H      -2.598133      0.360287      4.773134
  H      -1.043340      2.981635      5.057923
  H      -0.795615      1.479842      5.990073
  H      -1.909911      5.967446      6.942974
  H      -1.271584      5.058491      5.567009
  H      -2.601144      3.996803      8.112020
  H      -0.936789      3.661887      7.557195
  H      -4.834458      1.148663      8.467293
  H      -4.220352      2.768148      8.833439
  H      -3.145152      0.691349      6.850559
  H      -2.265038      1.403348      8.232173
  C      -4.114848      1.727850      2.796202
  C      -4.875101      0.402646      2.906157
  C      -5.614580      0.036613      1.602329
  C      -4.696508     -0.102832      0.420459
  N      -4.648802      0.923015     -0.439034
  C      -3.779817      0.825054     -1.473583
  N      -2.949899     -0.167307     -1.749582
  C      -2.986636     -1.234316     -0.890818
  C      -2.135328     -2.339466     -1.124756
  C      -2.157475     -3.431834     -0.273370
  C      -3.030098     -3.457555      0.834665
  C      -3.872973     -2.388905      1.089201
  C      -3.870348     -1.253456      0.237659
  C      -3.807223      6.476800      5.338671
  C      -3.037255      7.078630      4.149819
  C      -3.498072      6.522247      2.800796
  C      -4.899434      6.951043      2.434077
  N      -5.297214      8.154302      2.853823
  C      -6.567388      8.527871      2.574492
  N      -7.508195      7.819058      1.975050
  C      -7.127312      6.581460      1.532331
  C      -8.089499      5.743929      0.919703
  C      -7.727427      4.490039      0.453253
  C      -6.391127      4.042478      0.555723
  C      -5.434338      4.838780      1.164218
  C      -5.782475      6.109275      1.692903
  C      -6.588301      2.756477      7.295027
  C      -6.923939      4.195144      7.705296
  C      -8.360984      4.385150      8.185658
  C      -9.461861      4.259106      7.163875
  N      -9.162945      4.127417      5.858024
  C     -10.189626      4.023107      4.981036
  N     -11.483544      4.016663      5.242238
  C     -11.827572      4.165839      6.564727
  C     -13.192104      4.184068      6.923082
  C     -13.568853      4.344830      8.251118
  C     -12.592710      4.494119      9.252217
  C     -11.242327      4.478261      8.928077
  C     -10.827618      4.307501      7.582567
  H      -3.332131      1.641110      2.019021
  H      -4.807726      2.511466      2.465339
  H      -5.611062      0.486119      3.722252
  H      -4.180528     -0.407970      3.177076
  H      -6.173642     -0.898420      1.761611
  H      -6.345348      0.823473      1.367649
  H      -3.765189      1.678117     -2.160592
  H      -1.473055     -2.301019     -1.990891
  H      -1.499767     -4.282371     -0.461206
  H      -3.042374     -4.328127      1.492834
  H      -4.548734     -2.422726      1.944502
  H      -4.881354      6.469316      5.107349
  H      -3.669832      7.134906      6.218508
  H      -1.958382      6.896710      4.272517
  H      -3.184877      8.167549      4.155700
  H      -2.811252      6.865473      2.006457
  H      -3.433513      5.424381      2.807333
  H      -6.847831      9.532606      2.908701
  H      -9.110708      6.117245      0.831257
  H      -8.474927      3.846531     -0.014328
  H      -6.102811      3.068687      0.151298
  H      -4.407026      4.482939      1.239013
  H      -6.838191      2.076218      8.129853
  H      -7.217079      2.461151      6.442756
  H      -6.245405      4.496196      8.519935
  H      -6.711220      4.867342      6.860489
  H      -8.567140      3.674463      9.006226
  H      -8.449235      5.383651      8.652057
  H      -9.900067      3.932120      3.927950
  H     -13.930323      4.072637      6.127558
  H     -14.626684      4.359026      8.519341
  H     -12.898520      4.624662     10.291816
  H     -10.497937      4.600227      9.715101
  N      -5.811350      3.912030      4.538163
  N      -6.978088      4.288761      4.117221
  H      -7.773707      4.290683      4.829364
  H      -7.182199      4.137789      3.124635
99
Coordinates from ORCA-job orca E -6259.118326507240
  N      -3.510539      2.158993      4.059607
  Mo     -4.318108      3.408478      5.364011
  N      -5.180081      2.582375      6.943163
  C      -4.349991      2.053926      8.020529
  C      -3.006761      1.622464      7.452706
  N      -2.509406      2.659313      6.518033
  C      -1.561925      2.116573      5.512736
  C      -2.338573      1.374213      4.437295
  C      -1.965595      3.847840      7.222069
  C      -2.065980      5.069099      6.320515
  N      -3.393955      5.133096      5.708820
  H      -1.683070      1.220546      3.560051
  H      -2.623091      0.363457      4.789830
  H      -1.045663      2.973487      5.059002
  H      -0.805341      1.473697      5.996482
  H      -1.886850      5.972236      6.932579
  H      -1.264428      5.052672      5.556555
  H      -2.586713      4.010918      8.113188
  H      -0.927314      3.664216      7.551675
  H      -4.834671      1.174991      8.483402
  H      -4.215728      2.797727      8.832406
  H      -3.146304      0.700675      6.871293
  H      -2.264903      1.423937      8.246177
  C      -4.127895      1.731104      2.806949
  C      -4.891916      0.409024      2.922785
  C      -5.639530      0.044320      1.622885
  C      -4.730184     -0.092656      0.434339
  N      -4.693859      0.932283     -0.426756
  C      -3.832012      0.837161     -1.467539
  N      -2.998544     -0.151209     -1.747574
  C      -3.024051     -1.217456     -0.887237
  C      -2.168384     -2.318382     -1.124820
  C      -2.179954     -3.410012     -0.272008
  C      -3.046316     -3.439182      0.840723
  C      -3.893116     -2.374474      1.098998
  C      -3.900731     -1.239798      0.246547
  C      -3.789368      6.488715      5.337651
  C      -3.017870      7.081358      4.145471
  C      -3.473563      6.513419      2.799674
  C      -4.868386      6.948677      2.416329
  N      -5.260840      8.157965      2.821294
  C      -6.524085      8.541030      2.521708
  N      -7.461734      7.837212      1.912532
  C      -7.086247      6.592633      1.485079
  C      -8.046833      5.761108      0.861937
  C      -7.691009      4.499311      0.414063
  C      -6.362483      4.036292      0.545804
  C      -5.407228      4.827863      1.162121
  C      -5.749642      6.107598      1.671767
  C      -6.591933      2.762626      7.294982
  C      -6.930632      4.197090      7.716698
  C      -8.367851      4.377980      8.199424
  C      -9.465671      4.242977      7.175702
  N      -9.160614      4.115026      5.870773
  C     -10.183036      3.995370      4.991069
  N     -11.477717      3.971730      5.248357
  C     -11.827820      4.119399      6.569483
  C     -13.193509      4.121410      6.923795
  C     -13.576133      4.280000      8.250453
  C     -12.604891      4.442579      9.254294
  C     -11.253488      4.442388      8.934291
  C     -10.832844      4.275049      7.590209
  H      -3.348016      1.639304      2.027198
  H      -4.819830      2.515504      2.476296
  H      -5.624700      0.496209      3.741555
  H      -4.199725     -0.404143      3.191972
  H      -6.197408     -0.890958      1.784719
  H      -6.372264      0.831569      1.394325
  H      -3.827583      1.689387     -2.155655
  H      -1.511661     -2.277518     -1.995063
  H      -1.518911     -4.257281     -0.462874
  H      -3.050500     -4.309228      1.499678
  H      -4.563846     -2.410910      1.958247
  H      -4.864264      6.487822      5.108831
  H      -3.644348      7.149174      6.214523
  H      -1.938990      6.902163      4.272477
  H      -3.167606      8.169967      4.142469
  H      -2.778858      6.842801      2.006357
  H      -3.416289      5.415322      2.818832
  H      -6.800163      9.550298      2.845580
  H      -9.061930      6.145186      0.751756
  H      -8.437686      3.859895     -0.060490
  H      -6.080815      3.052614      0.159806
  H      -4.386145      4.459960      1.261011
  H      -6.845430      2.073929      8.121898
  H      -7.215345      2.475480      6.436481
  H      -6.252133      4.494420      8.532709
  H      -6.721171      4.876010      6.876401
  H      -8.568771      3.665015      9.019366
  H      -8.463234      5.375356      8.666827
  H      -9.889145      3.905266      3.938982
  H     -13.928097      3.999514      6.126446
  H     -14.634858      4.281746      8.515472
  H     -12.915520      4.570844     10.292760
  H     -10.512696      4.574165      9.723207
  N      -5.806582      3.934637      4.540327
  N      -6.970030      4.329011      4.122747
  H      -7.766085      4.311014      4.832037
  H      -7.184919      4.158702      3.135432
99
Coordinates from ORCA-job orca E -6259.118477588691
  N      -3.514646      2.166883      4.066022
  Mo     -4.313378      3.422961      5.370062
  N      -5.173371      2.591655      6.946011
  C      -4.345252      2.077323      8.031123
  C      -3.003027      1.636831      7.463893
  N      -2.504255      2.665933      6.521196
  C      -1.563773      2.113899      5.514219
  C      -2.348909      1.373643      4.444741
  C      -1.949159      3.853352      7.218731
  C      -2.048712      5.073184      6.314623
  N      -3.381648      5.144502      5.713165
  H      -1.696678      1.209296      3.566942
  H      -2.641969      0.367642      4.803702
  H      -1.043910      2.966074      5.055624
  H      -0.809353      1.467705      5.996894
  H      -1.858880      5.976380      6.923459
  H      -1.253042      5.050133      5.544727
  H      -2.563036      4.022574      8.113827
  H      -0.909916      3.664006      7.541979
  H      -4.830312      1.204437      8.504823
  H      -4.209676      2.830206      8.834505
  H      -3.145678      0.711110      6.889450
  H      -2.260503      1.442427      8.257676
  C      -4.139511      1.734514      2.818804
  C      -4.905400      0.414361      2.943809
  C      -5.665539      0.047163      1.651315
  C      -4.770107     -0.090474      0.452663
  N      -4.751198      0.930025     -0.413909
  C      -3.902102      0.835652     -1.465011
  N      -3.065594     -0.148647     -1.750480
  C      -3.073649     -1.210999     -0.884723
  C      -2.213471     -2.307258     -1.127229
  C      -2.207491     -3.394900     -0.269139
  C      -3.060730     -3.424708      0.853596
  C      -3.911721     -2.364539      1.116720
  C      -3.936570     -1.233719      0.259544
  C      -3.771762      6.501675      5.342384
  C      -3.000678      7.092003      4.148973
  C      -3.451913      6.518500      2.804183
  C      -4.843199      6.955642      2.409477
  N      -5.238197      8.165169      2.809005
  C      -6.498438      8.549519      2.495809
  N      -7.429661      7.846776      1.876266
  C      -7.050988      6.601369      1.454161
  C      -8.005052      5.770964      0.819160
  C      -7.645747      4.507971      0.378715
  C      -6.320265      4.041667      0.529716
  C      -5.371824      4.833010      1.155855
  C      -5.717955      6.114432      1.657563
  C      -6.587825      2.763422      7.292104
  C      -6.936247      4.194569      7.718784
  C      -8.375841      4.366886      8.198388
  C      -9.471030      4.222299      7.173039
  N      -9.162490      4.096751      5.868680
  C     -10.182651      3.965632      4.987881
  N     -11.477354      3.927924      5.243296
  C     -11.830967      4.074644      6.563492
  C     -13.197074      4.063713      6.915770
  C     -13.583161      4.221136      8.241554
  C     -12.614998      4.395090      9.246495
  C     -11.263254      4.407480      8.928499
  C     -10.839020      4.241957      7.585262
  H      -3.363406      1.637319      2.035700
  H      -4.830987      2.519488      2.488572
  H      -5.631324      0.505409      3.768238
  H      -4.213453     -0.400075      3.209339
  H      -6.220063     -0.888910      1.820273
  H      -6.402194      0.832860      1.429904
  H      -3.912429      1.684693     -2.156999
  H      -1.567471     -2.266123     -2.005447
  H      -1.542985     -4.238573     -0.463872
  H      -3.051408     -4.291703      1.516505
  H      -4.572052     -2.401556      1.984052
  H      -4.847475      6.505766      5.117069
  H      -3.620333      7.161460      6.218703
  H      -1.921431      6.916669      4.278324
  H      -3.154024      8.180033      4.142375
  H      -2.752481      6.841121      2.012283
  H      -3.397907      5.420279      2.829860
  H      -6.776866      9.559027      2.816831
  H      -9.017716      6.157103      0.694758
  H      -8.387224      3.869157     -0.104830
  H      -6.035998      3.055509      0.151653
  H      -4.352972      4.463182      1.269115
  H      -6.843133      2.068989      8.113774
  H      -7.204759      2.478210      6.428574
  H      -6.261618      4.492787      8.537709
  H      -6.727925      4.876961      6.881221
  H      -8.573232      3.653776      9.019040
  H      -8.479138      5.364354      8.664083
  H      -9.886860      3.875430      3.936219
  H     -13.929341      3.932990      6.117685
  H     -14.642243      4.212940      8.504997
  H     -12.928433      4.522061     10.284280
  H     -10.524808      4.547542      9.718256
  N      -5.798636      3.960463      4.545781
  N      -6.959848      4.372400      4.130653
  H      -7.759498      4.339330      4.832699
  H      -7.171035      4.205509      3.141781
99
Coordinates from ORCA-job orca E -6259.118474311203
  N      -3.535176      2.156829      4.068574
  Mo     -4.317091      3.426726      5.368564
  N      -5.175727      2.617046      6.960397
  C      -4.342840      2.105493      8.043389
  C      -3.008952      1.648864      7.483020
  N      -2.506761      2.664541      6.525265
  C      -1.581663      2.083628      5.518640
  C      -2.387506      1.343335      4.462708
  C      -1.924812      3.850247      7.202018
  C      -2.022085      5.057747      6.283420
  N      -3.365794      5.141204      5.707228
  H      -1.739752      1.145315      3.588512
  H      -2.705799      0.353162      4.842973
  H      -1.050547      2.921202      5.046255
  H      -0.835279      1.429903      6.003468
  H      -1.805570      5.965090      6.877069
  H      -1.241926      5.012920      5.499093
  H      -2.520722      4.038925      8.105718
  H      -0.883520      3.649220      7.511058
  H      -4.837612      1.248890      8.535453
  H      -4.186659      2.870402      8.831984
  H      -3.154211      0.717288      6.918830
  H      -2.267891      1.461071      8.279350
  C      -4.163860      1.725239      2.822003
  C      -4.922991      0.400887      2.944230
  C      -5.685027      0.028040      1.652941
  C      -4.798839     -0.107287      0.449091
  N      -4.808355      0.902690     -0.428894
  C      -3.967524      0.813447     -1.487237
  N      -3.113877     -0.157514     -1.768657
  C      -3.094174     -1.210564     -0.891262
  C      -2.213828     -2.291763     -1.128269
  C      -2.179790     -3.369993     -0.258713
  C      -3.025709     -3.405621      0.869212
  C      -3.896424     -2.360252      1.126617
  C      -3.948116     -1.238245      0.259395
  C      -3.747397      6.502818      5.344889
  C      -2.987381      7.098898      4.147611
  C      -3.438767      6.526737      2.802425
  C      -4.828681      6.967805      2.404708
  N      -5.226893      8.173248      2.808472
  C      -6.486099      8.559299      2.487226
  N      -7.409729      7.862111      1.851632
  C      -7.026094      6.620281      1.423820
  C      -7.971868      5.795748      0.767849
  C      -7.607833      4.534521      0.328816
  C      -6.285999      4.063418      0.500880
  C      -5.345805      4.851656      1.141116
  C      -5.696768      6.131436      1.640683
  C      -6.593151      2.787000      7.302248
  C      -6.947886      4.213780      7.743471
  C      -8.387613      4.376651      8.228128
  C      -9.479499      4.227192      7.199433
  N      -9.160684      4.114605      5.896576
  C     -10.171705      3.972647      5.007404
  N     -11.467257      3.912094      5.253602
  C     -11.832358      4.049016      6.572075
  C     -13.200407      4.016488      6.914495
  C     -13.598040      4.163005      8.238136
  C     -12.639666      4.346334      9.250907
  C     -11.286154      4.379130      8.943053
  C     -10.850043      4.226241      7.601957
  H      -3.388229      1.633720      2.037104
  H      -4.857971      2.511043      2.498738
  H      -5.648326      0.487212      3.769570
  H      -4.228180     -0.411303      3.207761
  H      -6.233104     -0.911288      1.826176
  H      -6.428389      0.808022      1.433940
  H      -4.001362      1.654713     -2.188017
  H      -1.575181     -2.246776     -2.011654
  H      -1.499519     -4.201953     -0.449367
  H      -2.995050     -4.265537      1.540626
  H      -4.550329     -2.402178      1.998816
  H      -4.826333      6.517505      5.135888
  H      -3.575951      7.155627      6.222931
  H      -1.906329      6.931907      4.272495
  H      -3.150529      8.185420      4.144649
  H      -2.738444      6.847413      2.010609
  H      -3.386825      5.428180      2.828565
  H      -6.767818      9.565553      2.814867
  H      -8.981447      6.185039      0.629298
  H      -8.342407      3.898647     -0.169172
  H      -6.000245      3.074279      0.131558
  H      -4.328953      4.479685      1.267959
  H      -6.857517      2.081753      8.111924
  H      -7.203526      2.514026      6.430740
  H      -6.272030      4.508705      8.562651
  H      -6.744170      4.902805      6.910428
  H      -8.579444      3.659396      9.046445
  H      -8.498082      5.371465      8.698158
  H      -9.866536      3.886844      3.956635
  H     -13.925346      3.878294      6.111004
  H     -14.658770      4.138389      8.493732
  H     -12.962537      4.463706     10.286933
  H     -10.555026      4.524606      9.738846
  N      -5.793996      3.979610      4.536745
  N      -6.956707      4.409081      4.137217
  H      -7.757373      4.371068      4.831038
  H      -7.170293      4.259758      3.146132
99
Coordinates from ORCA-job orca E -6259.118671714449
  N      -3.528135      2.170492      4.071005
  Mo     -4.305317      3.442474      5.373917
  N      -5.165206      2.618207      6.956183
  C      -4.334377      2.116609      8.044927
  C      -2.997493      1.660586      7.479378
  N      -2.494665      2.675874      6.521782
  C      -1.570359      2.101235      5.511688
  C      -2.375275      1.361354      4.456728
  C      -1.913788      3.860746      7.202294
  C      -2.014208      5.075165      6.290576
  N      -3.357457      5.157808      5.713768
  H      -1.730266      1.170659      3.578787
  H      -2.685652      0.367313      4.833856
  H      -1.043591      2.942350      5.040644
  H      -0.820142      1.449040      5.992856
  H      -1.801950      5.979638      6.890201
  H      -1.233005      5.037633      5.506838
  H      -2.508762      4.045030      8.107325
  H      -0.871813      3.659883      7.509209
  H      -4.823445      1.256680      8.537611
  H      -4.185814      2.882091      8.834148
  H      -3.145126      0.728792      6.916481
  H      -2.254884      1.472520      8.274542
  C      -4.165944      1.730718      2.832136
  C      -4.923424      0.407165      2.969011
  C      -5.701289      0.032629      1.688547
  C      -4.829294     -0.104234      0.473834
  N      -4.847134      0.907123     -0.402771
  C      -4.019748      0.818319     -1.471406
  N      -3.171425     -0.153348     -1.765011
  C      -3.142434     -1.207519     -0.889256
  C      -2.267317     -2.289910     -1.139729
  C      -2.224163     -3.369744     -0.272751
  C      -3.054975     -3.405515      0.866426
  C      -3.919874     -2.358693      1.137539
  C      -3.981249     -1.235403      0.272660
  C      -3.746605      6.517957      5.354099
  C      -2.984889      7.114861      4.158877
  C      -3.430413      6.529255      2.817686
  C      -4.820648      6.960954      2.411205
  N      -5.223679      8.169278      2.801501
  C      -6.481647      8.549773      2.469206
  N      -7.399857      7.845378      1.833810
  C      -7.011962      6.600064      1.419850
  C      -7.952143      5.768736      0.764260
  C      -7.581901      4.506546      0.332593
  C      -6.260029      4.039699      0.514499
  C      -5.327351      4.832206      1.160819
  C      -5.683322      6.115124      1.649790
  C      -6.583308      2.779480      7.294314
  C      -6.944331      4.200826      7.746045
  C      -8.388666      4.356838      8.218291
  C      -9.473854      4.218689      7.180986
  N      -9.149592      4.127991      5.877763
  C     -10.157244      3.998750      4.982681
  N     -11.453817      3.934315      5.222524
  C     -11.824250      4.048004      6.541618
  C     -13.193733      4.008307      6.878164
  C     -13.596604      4.131872      8.202481
  C     -12.642403      4.299961      9.221824
  C     -11.287752      4.340090      8.919677
  C     -10.846237      4.209173      7.578025
  H      -3.397070      1.635056      2.041097
  H      -4.863459      2.513636      2.509754
  H      -5.638614      0.495526      3.803030
  H      -4.224789     -0.404048      3.225611
  H      -6.246784     -0.906698      1.870462
  H      -6.446846      0.812511      1.478102
  H      -4.061058      1.661030     -2.170126
  H      -1.639997     -2.244515     -2.031178
  H      -1.548064     -4.202669     -0.473695
  H      -3.017247     -4.266826      1.535710
  H      -4.562756     -2.401312      2.017684
  H      -4.824573      6.526775      5.140472
  H      -3.583737      7.171826      6.233125
  H      -1.903320      6.955498      4.288150
  H      -3.153946      8.200677      4.148697
  H      -2.729794      6.846234      2.024555
  H      -3.374738      5.431463      2.854375
  H      -6.766546      9.559201      2.784296
  H      -8.961805      6.154928      0.617774
  H      -8.311358      3.866997     -0.168151
  H      -5.967632      3.051719      0.147096
  H      -4.311250      4.463024      1.296560
  H      -6.845708      2.066942      8.098290
  H      -7.190473      2.510352      6.419100
  H      -6.277398      4.487959      8.575251
  H      -6.733108      4.899187      6.922509
  H      -8.587039      3.630887      9.027225
  H      -8.503296      5.346724      8.697507
  H      -9.848338      3.938903      3.931769
  H     -13.915280      3.882731      6.069563
  H     -14.658273      4.101631      8.453610
  H     -12.969447      4.400218     10.258337
  H     -10.560129      4.474731      9.720362
  N      -5.780376      4.003396      4.544896
  N      -6.938311      4.447205      4.153316
  H      -7.727796      4.393624      4.862810
  H      -7.176870      4.272290      3.172519
99
Coordinates from ORCA-job orca E -6259.118504419888
  N      -3.543297      2.165457      4.088663
  Mo     -4.310465      3.445030      5.390556
  N      -5.167209      2.616523      6.971439
  C      -4.331076      2.146943      8.071074
  C      -2.997283      1.670411      7.499027
  N      -2.498345      2.666033      6.526388
  C      -1.584242      2.083635      5.513504
  C      -2.398077      1.345443      4.468405
  C      -1.908540      3.853242      7.197247
  C      -2.009741      5.067731      6.286316
  N      -3.355435      5.158713      5.718961
  H      -1.759540      1.147032      3.587487
  H      -2.714888      0.354826      4.849299
  H      -1.056390      2.919749      5.034655
  H      -0.834393      1.430394      5.994014
  H      -1.788552      5.972704      6.881979
  H      -1.234143      5.023405      5.496678
  H      -2.496579      4.043000      8.105491
  H      -0.865183      3.649184      7.497547
  H      -4.813951      1.293050      8.581060
  H      -4.186550      2.926668      8.846514
  H      -3.158568      0.728364      6.956976
  H      -2.246475      1.491911      8.289132
  C      -4.177723      1.739080      2.845457
  C      -4.952378      0.425352      2.970258
  C      -5.719594      0.069423      1.679414
  C      -4.828390     -0.063085      0.475461
  N      -4.815449      0.956460     -0.393529
  C      -3.966217      0.865121     -1.445329
  N      -3.122565     -0.113270     -1.728617
  C      -3.124610     -1.174470     -0.861786
  C      -2.257419     -2.265383     -1.102943
  C      -2.247149     -3.353516     -0.245390
  C      -3.102931     -3.388898      0.875084
  C      -3.959526     -2.332860      1.137751
  C      -3.988287     -1.201536      0.281596
  C      -3.729999      6.519959      5.346467
  C      -2.969876      7.092209      4.137025
  C      -3.424656      6.497396      2.803495
  C      -4.806601      6.943920      2.390194
  N      -5.199785      8.154771      2.784377
  C      -6.449809      8.551292      2.443992
  N      -7.371287      7.858863      1.800332
  C      -6.994086      6.611690      1.381374
  C      -7.939546      5.794531      0.717071
  C      -7.579355      4.533216      0.274341
  C      -6.263400      4.051324      0.457214
  C      -5.325271      4.826933      1.118243
  C      -5.671966      6.110379      1.616699
  C      -6.582651      2.773021      7.307309
  C      -6.945725      4.198144      7.737794
  C      -8.389533      4.353218      8.207861
  C      -9.477229      4.182445      7.178758
  N      -9.161395      4.060268      5.875698
  C     -10.176370      3.904430      4.992958
  N     -11.471049      3.839578      5.244731
  C     -11.831605      3.982356      6.563271
  C     -13.198302      3.943882      6.912425
  C     -13.590916      4.097848      8.236561
  C     -12.629310      4.296361      9.243368
  C     -11.277462      4.336581      8.928494
  C     -10.846434      4.174260      7.586971
  H      -3.405171      1.639698      2.058771
  H      -4.865733      2.530191      2.522186
  H      -5.675184      0.520514      3.797301
  H      -4.266552     -0.396186      3.229631
  H      -6.274403     -0.867208      1.846085
  H      -6.455566      0.858141      1.467856
  H      -3.983441      1.712516     -2.139004
  H      -1.610383     -2.220094     -1.980207
  H      -1.577269     -4.193117     -0.439252
  H      -3.091032     -4.256956      1.536587
  H      -4.622862     -2.374963      2.002374
  H      -4.809552      6.540225      5.141307
  H      -3.551651      7.183515      6.215040
  H      -1.889287      6.922288      4.262193
  H      -3.127583      8.179746      4.115567
  H      -2.717994      6.793164      2.007446
  H      -3.386691      5.399491      2.852304
  H      -6.726134      9.562609      2.761459
  H      -8.945198      6.191098      0.570373
  H      -8.313360      3.905524     -0.234472
  H      -5.981319      3.064527      0.078210
  H      -4.313644      4.444807      1.257104
  H      -6.837225      2.070535      8.122709
  H      -7.189480      2.487988      6.436556
  H      -6.279173      4.499800      8.561961
  H      -6.738377      4.885674      6.903676
  H      -8.580962      3.644296      9.033360
  H      -8.509724      5.353256      8.663712
  H      -9.876651      3.822862      3.942570
  H     -13.925898      3.794652      6.113305
  H     -14.650292      4.067998      8.497320
  H     -12.948295      4.420756     10.279783
  H     -10.543792      4.496407      9.718715
  N      -5.783917      4.019437      4.564760
  N      -6.937827      4.471522      4.162455
  H      -7.748394      4.413783      4.854380
  H      -7.137670      4.345467      3.166044
99
Coordinates from ORCA-job orca E -6259.118770903287
  N      -3.546449      2.169199      4.082828
  Mo     -4.307613      3.450616      5.385022
  N      -5.163747      2.632710      6.967389
  C      -4.336539      2.147051      8.065246
  C      -3.003302      1.674699      7.501045
  N      -2.497027      2.677105      6.529712
  C      -1.584499      2.087467      5.517316
  C      -2.402305      1.348901      4.471243
  C      -1.899971      3.861022      7.197090
  C      -1.999809      5.071025      6.280455
  N      -3.348249      5.162300      5.719224
  H      -1.763030      1.142005      3.592778
  H      -2.724322      0.362533      4.858624
  H      -1.053016      2.920856      5.037726
  H      -0.837448      1.431532      5.998387
  H      -1.772490      5.977146      6.872105
  H      -1.227969      5.021895      5.487709
  H      -2.483630      4.055546      8.107410
  H      -0.856510      3.653438      7.494350
  H      -4.829075      1.298646      8.574321
  H      -4.181795      2.925018      8.840690
  H      -3.159421      0.737190      6.949901
  H      -2.259436      1.491069      8.296180
  C      -4.189606      1.733294      2.845746
  C      -4.953110      0.413691      2.982147
  C      -5.732257      0.046634      1.700613
  C      -4.859005     -0.081114      0.484791
  N      -4.878770      0.933625     -0.388712
  C      -4.047730      0.852459     -1.455125
  N      -3.193130     -0.113521     -1.749267
  C      -3.162416     -1.171051     -0.877719
  C      -2.281180     -2.248279     -1.129042
  C      -2.237294     -3.332103     -0.266890
  C      -3.073365     -3.377107      0.867985
  C      -3.943642     -2.334887      1.140355
  C      -4.005681     -1.207719      0.280656
  C      -3.725779      6.524510      5.353776
  C      -2.965281      7.104141      4.148984
  C      -3.413540      6.502836      2.816170
  C      -4.795154      6.945400      2.393647
  N      -5.193868      8.156333      2.778847
  C      -6.442494      8.549292      2.425150
  N      -7.355645      7.853968      1.773520
  C      -6.972597      6.605291      1.364992
  C      -7.909386      5.783573      0.693057
  C      -7.544839      4.517392      0.269321
  C      -6.232626      4.035107      0.477499
  C      -5.302842      4.818475      1.139447
  C      -5.653594      6.106513      1.618932
  C      -6.582226      2.787971      7.300787
  C      -6.947561      4.207952      7.750105
  C      -8.392085      4.357401      8.221866
  C      -9.476090      4.194746      7.187715
  N      -9.151263      4.087345      5.885833
  C     -10.158277      3.934253      4.993905
  N     -11.453947      3.857734      5.236229
  C     -11.824592      3.986933      6.553759
  C     -13.193275      3.936355      6.892612
  C     -13.596365      4.076137      8.215250
  C     -12.643234      4.271455      9.230733
  C     -11.289459      4.322557      8.926313
  C     -10.847753      4.175465      7.586409
  H      -3.423291      1.635390      2.052551
  H      -4.884943      2.519695      2.526752
  H      -5.667489      0.504633      3.816783
  H      -4.258070     -0.401314      3.236732
  H      -6.276961     -0.894215      1.876834
  H      -6.478246      0.827707      1.495412
  H      -4.092141      1.697089     -2.151283
  H      -1.650317     -2.196060     -2.017608
  H      -1.556512     -4.161023     -0.468636
  H      -3.035345     -4.241703      1.533008
  H      -4.591017     -2.384609      2.016806
  H      -4.805131      6.544686      5.147702
  H      -3.548853      7.182682      6.226859
  H      -1.883820      6.943447      4.278533
  H      -3.131283      8.190222      4.125935
  H      -2.705579      6.795875      2.020359
  H      -3.372777      5.405038      2.871409
  H      -6.723918      9.560512      2.738006
  H      -8.912443      6.179871      0.528933
  H      -8.272618      3.884507     -0.242168
  H      -5.947945      3.040610      0.120727
  H      -4.294305      4.436897      1.298261
  H      -6.843267      2.074530      8.104579
  H      -7.185590      2.516246      6.423685
  H      -6.281910      4.500242      8.578417
  H      -6.739799      4.904901      6.924410
  H      -8.583499      3.640253      9.040196
  H      -8.514717      5.352828      8.687557
  H      -9.849709      3.859448      3.944473
  H     -13.914197      3.789691      6.086995
  H     -14.657365      4.037277      8.468014
  H     -12.970521      4.384178     10.265897
  H     -10.562507      4.478835      9.723625
  N      -5.781926      4.022529      4.557571
  N      -6.941571      4.484117      4.178529
  H      -7.740922      4.402657      4.877165
  H      -7.163356      4.355007      3.186851
99
Coordinates from ORCA-job orca E -6259.118758345545
  N      -3.548989      2.173959      4.067549
  Mo     -4.308501      3.452170      5.376636
  N      -5.162738      2.628395      6.963978
  C      -4.319886      2.130897      8.046396
  C      -2.989036      1.669159      7.472810
  N      -2.491322      2.680095      6.511095
  C      -1.579700      2.101215      5.492358
  C      -2.396630      1.361478      4.446783
  C      -1.898615      3.861322      7.187734
  C      -2.005705      5.078386      6.280769
  N      -3.353979      5.164884      5.717423
  H      -1.759460      1.164680      3.564367
  H      -2.707179      0.369884      4.830293
  H      -1.055400      2.940418      5.014991
  H      -0.826339      1.447479      5.966617
  H      -1.785420      5.981236      6.879959
  H      -1.232001      5.040127      5.489494
  H      -2.481921      4.045478      8.100435
  H      -0.853654      3.656129      7.481403
  H      -4.804847      1.273485      8.547418
  H      -4.161991      2.899733      8.830536
  H      -3.143785      0.735959      6.914077
  H      -2.240695      1.481831      8.262767
  C      -4.198565      1.731002      2.835805
  C      -4.943441      0.401335      2.980828
  C      -5.729334      0.017510      1.708053
  C      -4.864874     -0.121932      0.488060
  N      -4.896001      0.882188     -0.396454
  C      -4.074500      0.791951     -1.469254
  N      -3.220285     -0.175146     -1.760882
  C      -3.178751     -1.223046     -0.878026
  C      -2.297577     -2.301082     -1.126324
  C      -2.242351     -3.375087     -0.252760
  C      -3.066803     -3.409210      0.891034
  C      -3.937036     -2.366281      1.160384
  C      -4.010485     -1.248795      0.288966
  C      -3.748151      6.527434      5.373442
  C      -2.991988      7.141272      4.183283
  C      -3.422374      6.557952      2.836443
  C      -4.810146      6.982356      2.415258
  N      -5.231023      8.181710      2.811960
  C      -6.485650      8.555915      2.458630
  N      -7.383266      7.853663      1.792981
  C      -6.977116      6.616090      1.373128
  C      -7.894933      5.787288      0.683683
  C      -7.506032      4.532456      0.247974
  C      -6.187581      4.069407      0.461276
  C      -5.276339      4.860265      1.138853
  C      -5.651350      6.137071      1.629475
  C      -6.580433      2.780511      7.304970
  C      -6.945871      4.195719      7.771095
  C      -8.392232      4.341004      8.239909
  C      -9.471901      4.201333      7.197116
  N      -9.140441      4.116735      5.895224
  C     -10.142404      3.986164      4.993974
  N     -11.439743      3.913162      5.227065
  C     -11.817536      4.019592      6.544715
  C     -13.188448      3.969795      6.874115
  C     -13.598861      4.085792      8.196829
  C     -12.651042      4.256378      9.221696
  C     -11.295125      4.306448      8.926650
  C     -10.846043      4.183109      7.586853
  H      -3.439022      1.643517      2.034727
  H      -4.906602      2.509180      2.525056
  H      -5.651065      0.484660      3.821765
  H      -4.235221     -0.403458      3.231226
  H      -6.268731     -0.923640      1.898356
  H      -6.480678      0.792547      1.498961
  H      -4.126974      1.629427     -2.173529
  H      -1.675653     -2.257159     -2.021624
  H      -1.561691     -4.204678     -0.452088
  H      -3.019873     -4.266088      1.565401
  H      -4.575088     -2.407977      2.044040
  H      -4.827046      6.534733      5.163818
  H      -3.584482      7.172533      6.258854
  H      -1.908718      6.996171      4.315544
  H      -3.176612      8.224470      4.179254
  H      -2.716260      6.881205      2.050818
  H      -3.361801      5.460305      2.870104
  H      -6.785953      9.557946      2.782655
  H      -8.902816      6.169578      0.515987
  H      -8.218472      3.894233     -0.278379
  H      -5.882368      3.084605      0.095262
  H      -4.261764      4.495071      1.297505
  H      -6.839486      2.058141      8.101447
  H      -7.187354      2.518817      6.427744
  H      -6.282715      4.476717      8.605299
  H      -6.734067      4.903547      6.955462
  H      -8.589383      3.609948      9.044553
  H      -8.514117      5.327997      8.723452
  H      -9.826971      3.929833      3.944969
  H     -13.904933      3.842434      6.061299
  H     -14.661555      4.047381      8.442445
  H     -12.984098      4.350469     10.256870
  H     -10.572424      4.442892      9.731537
  N      -5.777350      4.031315      4.547025
  N      -6.929048      4.497723      4.164033
  H      -7.724010      4.426171      4.867655
  H      -7.164236      4.353715      3.177604
99
Coordinates from ORCA-job orca E -6259.118869637902
  N      -3.560303      2.178445      4.070480
  Mo     -4.309496      3.459783      5.381716
  N      -5.160932      2.636421      6.966450
  C      -4.322365      2.144611      8.054111
  C      -2.993678      1.673577      7.479250
  N      -2.493524      2.679185      6.512210
  C      -1.588576      2.094712      5.490382
  C      -2.412328      1.358933      4.447859
  C      -1.891483      3.858237      7.184286
  C      -1.996746      5.075206      6.276692
  N      -3.347639      5.168816      5.721737
  H      -1.778716      1.156176      3.564231
  H      -2.728886      0.370234      4.833923
  H      -1.061760      2.930882      5.010393
  H      -0.836947      1.437713      5.962932
  H      -1.767524      5.977833      6.872878
  H      -1.228056      5.031165      5.480562
  H      -2.469157      4.046385      8.099734
  H      -0.846110      3.648010      7.472880
  H      -4.809901      1.292237      8.561265
  H      -4.162158      2.918049      8.833024
  H      -3.155093      0.738900      6.924817
  H      -2.244124      1.485498      8.267967
  C      -4.214048      1.739764      2.839791
  C      -4.963287      0.412633      2.983205
  C      -5.745273      0.033631      1.706971
  C      -4.874532     -0.103743      0.490491
  N      -4.899581      0.902242     -0.392625
  C      -4.071275      0.814035     -1.460212
  N      -3.214512     -0.152026     -1.747860
  C      -3.179055     -1.201731     -0.866942
  C      -2.296040     -2.279181     -1.111155
  C      -2.247543     -3.355415     -0.239834
  C      -3.080644     -3.392474      0.897528
  C      -3.952497     -2.349836      1.163174
  C      -4.019134     -1.230184      0.294068
  C      -3.733672      6.532722      5.372979
  C      -2.977717      7.131747      4.175216
  C      -3.414194      6.534279      2.836784
  C      -4.797045      6.966216      2.407362
  N      -5.210713      8.170585      2.795947
  C      -6.458842      8.555019      2.430204
  N      -7.356602      7.858396      1.759194
  C      -6.958367      6.615509      1.347419
  C      -7.877732      5.793055      0.652555
  C      -7.497379      4.532721      0.225584
  C      -6.186456      4.056753      0.454479
  C      -5.273473      4.841299      1.137528
  C      -5.639871      6.124424      1.618401
  C      -6.578991      2.785039      7.305175
  C      -6.946903      4.200144      7.767697
  C      -8.393238      4.342493      8.236744
  C      -9.473392      4.189338      7.196773
  N      -9.143686      4.097087      5.894858
  C     -10.146775      3.952544      4.997087
  N     -11.443206      3.872066      5.233556
  C     -11.819015      3.985921      6.551078
  C     -13.188874      3.929128      6.884028
  C     -13.597267      4.052882      8.206669
  C     -12.648426      4.238302      9.227998
  C     -11.293550      4.295409      8.929434
  C     -10.846511      4.164361      7.589675
  H      -3.456839      1.651243      2.036705
  H      -4.920913      2.520551      2.532552
  H      -5.673235      0.498089      3.822095
  H      -4.258170     -0.394386      3.235406
  H      -6.287826     -0.906687      1.892321
  H      -6.493468      0.811315      1.496467
  H      -4.119995      1.652896     -2.163159
  H      -1.667592     -2.233253     -2.001786
  H      -1.565424     -4.184534     -0.436139
  H      -3.039125     -4.251226      1.569866
  H      -4.597574     -2.393676      2.041590
  H      -4.813270      6.547794      5.167425
  H      -3.561199      7.181852      6.253762
  H      -1.894642      6.983847      4.306391
  H      -3.157591      8.215726      4.160229
  H      -2.704778      6.838108      2.046346
  H      -3.364389      5.436642      2.886405
  H      -6.752743      9.561263      2.747356
  H      -8.880283      6.184347      0.473890
  H      -8.211654      3.899164     -0.303847
  H      -5.890649      3.065420      0.098183
  H      -4.265038      4.465621      1.309995
  H      -6.836327      2.063658      8.103109
  H      -7.184051      2.519777      6.427599
  H      -6.284006      4.485210      8.600664
  H      -6.737829      4.906022      6.949776
  H      -8.586160      3.616608      9.047010
  H      -8.518913      5.332835      8.712432
  H      -9.833486      3.890744      3.948137
  H     -13.906311      3.790339      6.073918
  H     -14.659133      4.008996      8.454933
  H     -12.979903      4.338450     10.263117
  H     -10.569976      4.443756      9.731354
  N      -5.779072      4.047172      4.557309
  N      -6.932482      4.527624      4.188816
  H      -7.730446      4.434141      4.888310
  H      -7.163150      4.413100      3.197680
99
Coordinates from ORCA-job orca E -6259.118926680908
  N      -3.573050      2.174340      4.069969
  Mo     -4.314470      3.454815      5.385595
  N      -5.162763      2.635911      6.972709
  C      -4.322726      2.136350      8.055443
  C      -2.997706      1.663425      7.475582
  N      -2.497132      2.670965      6.510092
  C      -1.596250      2.087198      5.484048
  C      -2.423855      1.353623      4.442017
  C      -1.891728      3.847746      7.182333
  C      -1.997309      5.066109      6.276789
  N      -3.348882      5.161795      5.725425
  H      -1.793432      1.152218      3.555883
  H      -2.739815      0.364288      4.826941
  H      -1.070184      2.923582      5.003556
  H      -0.843760      1.429095      5.953790
  H      -1.765408      5.968029      6.872969
  H      -1.230576      5.021829      5.478553
  H      -2.467180      4.034486      8.099376
  H      -0.845753      3.636189      7.467712
  H      -4.811463      1.284082      8.561720
  H      -4.157496      2.906767      8.836160
  H      -3.165062      0.731491      6.918216
  H      -2.246416      1.469105      8.261215
  C      -4.225574      1.746071      2.835346
  C      -4.976267      0.418570      2.967729
  C      -5.742777      0.044436      1.681170
  C      -4.854250     -0.088532      0.476654
  N      -4.863527      0.921983     -0.402024
  C      -4.018616      0.837333     -1.456723
  N      -3.158828     -0.128638     -1.735695
  C      -3.139388     -1.182742     -0.859780
  C      -2.254646     -2.260768     -1.095296
  C      -2.222146     -3.341440     -0.228827
  C      -3.073118     -3.382643      0.895120
  C      -3.946936     -2.339517      1.152290
  C      -3.997843     -1.215507      0.287710
  C      -3.730683      6.526025      5.372586
  C      -2.979136      7.112603      4.165741
  C      -3.428426      6.504599      2.836491
  C      -4.811969      6.938994      2.411857
  N      -5.225417      8.140645      2.809369
  C      -6.472928      8.528999      2.446068
  N      -7.370950      7.838131      1.769424
  C      -6.973762      6.598027      1.348390
  C      -7.893772      5.781815      0.647204
  C      -7.515600      4.523532      0.212054
  C      -6.206375      4.043703      0.440008
  C      -5.291650      4.822204      1.128372
  C      -5.655853      6.103044      1.616957
  C      -6.579260      2.787441      7.316869
  C      -6.943734      4.207286      7.766102
  C      -8.389007      4.356966      8.236012
  C      -9.471448      4.195342      7.199976
  N      -9.145229      4.086740      5.898356
  C     -10.150663      3.933883      5.004621
  N     -11.446730      3.859916      5.245154
  C     -11.819112      3.990548      6.562139
  C     -13.188386      3.941763      6.898757
  C     -13.593665      4.082552      8.220687
  C     -12.642006      4.277339      9.237596
  C     -11.287587      4.326800      8.935371
  C     -10.843753      4.178469      7.596370
  H      -3.468444      1.662800      2.031829
  H      -4.932388      2.528958      2.533256
  H      -5.694541      0.501413      3.799774
  H      -4.273000     -0.388574      3.225047
  H      -6.289074     -0.895737      1.855425
  H      -6.486637      0.823998      1.462655
  H      -4.054960      1.679604     -2.156350
  H      -1.611991     -2.211825     -1.975564
  H      -1.538593     -4.170950     -0.418440
  H      -3.043917     -4.244815      1.563721
  H      -4.605975     -2.385967      2.020121
  H      -4.811068      6.546569      5.171956
  H      -3.550336      7.178850      6.248954
  H      -1.895835      6.960934      4.290920
  H      -3.153395      8.197388      4.142750
  H      -2.722970      6.795006      2.037448
  H      -3.384029      5.407044      2.896751
  H      -6.766574      9.532896      2.771032
  H      -8.895581      6.175760      0.470158
  H      -8.231170      3.894413     -0.320760
  H      -5.915091      3.052215      0.080702
  H      -4.284542      4.443110      1.300746
  H      -6.831626      2.074559      8.123818
  H      -7.188748      2.512406      6.445117
  H      -6.278947      4.499464      8.595058
  H      -6.735211      4.904587      6.940944
  H      -8.582078      3.640180      9.054266
  H      -8.511507      5.352772      8.701136
  H      -9.839540      3.858399      3.956094
  H     -13.907921      3.795549      6.091810
  H     -14.655104      4.044782      8.471750
  H     -12.970811      4.390932     10.272180
  H     -10.561984      4.483005      9.733924
  N      -5.785961      4.046044      4.567880
  N      -6.942333      4.528105      4.211214
  H      -7.741999      4.420011      4.908998
  H      -7.165151      4.461410      3.214409
99
Coordinates from ORCA-job orca E -6259.119013058507
  N      -3.595309      2.183395      4.069729
  Mo     -4.315274      3.468367      5.393741
  N      -5.156127      2.645540      6.981006
  C      -4.311074      2.150811      8.061907
  C      -2.992743      1.667790      7.472706
  N      -2.493212      2.671045      6.501888
  C      -1.606873      2.081479      5.466554
  C      -2.449178      1.354242      4.432422
  C      -1.871245      3.842288      7.169024
  C      -1.980708      5.063845      6.267986
  N      -3.338715      5.169472      5.734686
  H      -1.827832      1.147004      3.541235
  H      -2.769458      0.367744      4.821072
  H      -1.079990      2.914603      4.981211
  H      -0.854042      1.418168      5.928547
  H      -1.734922      5.963013      6.862838
  H      -1.224521      5.016104      5.459883
  H      -2.432884      4.030468      8.094295
  H      -0.822991      3.622897      7.439637
  H      -4.798494      1.303558      8.577831
  H      -4.136862      2.925465      8.836429
  H      -3.171326      0.736259      6.918128
  H      -2.236580      1.469263      8.252647
  C      -4.257588      1.761642      2.838355
  C      -5.006677      0.432825      2.968713
  C      -5.769282      0.057473      1.680037
  C      -4.876428     -0.081972      0.479450
  N      -4.884204      0.922489     -0.406358
  C      -4.035290      0.832864     -1.457162
  N      -3.172090     -0.132967     -1.726401
  C      -3.154408     -1.181436     -0.843629
  C      -2.266482     -2.259092     -1.068410
  C      -2.235525     -3.334310     -0.195053
  C      -3.091511     -3.370456      0.925200
  C      -3.968589     -2.327491      1.171938
  C      -4.017650     -1.208772      0.300496
  C      -3.716194      6.536005      5.386532
  C      -2.974690      7.118167      4.171391
  C      -3.429136      6.497572      2.850215
  C      -4.811056      6.930451      2.418362
  N      -5.234713      8.125925      2.820867
  C      -6.477934      8.514554      2.440752
  N      -7.360642      7.829694      1.739042
  C      -6.952882      6.594937      1.312214
  C      -7.855949      5.785851      0.581092
  C      -7.466796      4.532797      0.141601
  C      -6.164205      4.049531      0.397738
  C      -5.266207      4.821171      1.114760
  C      -5.640481      6.098630      1.603348
  C      -6.572938      2.789702      7.328116
  C      -6.943901      4.206379      7.782326
  C      -8.391446      4.349595      8.248321
  C      -9.470303      4.183838      7.208984
  N      -9.139643      4.080866      5.907902
  C     -10.141136      3.919933      5.011100
  N     -11.437005      3.833270      5.247909
  C     -11.814329      3.960215      6.563954
  C     -13.184053      3.899579      6.896496
  C     -13.594464      4.035955      8.217349
  C     -12.647402      4.237947      9.237154
  C     -11.292582      4.299039      8.938969
  C     -10.843539      4.155637      7.601160
  H      -3.507187      1.683490      2.027894
  H      -4.967789      2.545761      2.547572
  H      -5.726091      0.514656      3.799822
  H      -4.302540     -0.373167      3.227016
  H      -6.318978     -0.880748      1.854431
  H      -6.509822      0.838488      1.455666
  H      -4.071047      1.670669     -2.162210
  H      -1.620021     -2.214372     -1.946117
  H      -1.549353     -4.163514     -0.376400
  H      -3.063757     -4.228474      1.599186
  H      -4.631644     -2.369922      2.036952
  H      -4.798372      6.563468      5.197261
  H      -3.522580      7.187545      6.261060
  H      -1.889999      6.972101      4.290798
  H      -3.153358      8.202072      4.142439
  H      -2.723935      6.773428      2.045750
  H      -3.388892      5.400438      2.923849
  H      -6.780281      9.513798      2.772002
  H      -8.853442      6.181506      0.384508
  H      -8.169150      3.909364     -0.414943
  H      -5.867278      3.059003      0.039785
  H      -4.264002      4.439820      1.309246
  H      -6.820640      2.072972      8.133038
  H      -7.182204      2.514544      6.456336
  H      -6.282822      4.497372      8.614657
  H      -6.735011      4.907677      6.960760
  H      -8.583745      3.631536      9.065602
  H      -8.519624      5.344674      8.713562
  H      -9.826030      3.848107      3.963378
  H     -13.899941      3.747730      6.087338
  H     -14.656279      3.988907      8.465226
  H     -12.980161      4.347844     10.270881
  H     -10.570608      4.460591      9.739782
  N      -5.781739      4.078725      4.579973
  N      -6.933835      4.586116      4.239887
  H      -7.737199      4.457269      4.930025
  H      -7.153399      4.564372      3.240781
99
Coordinates from ORCA-job orca E -6259.119152033257
  N      -3.621404      2.200918      4.060160
  Mo     -4.318498      3.483783      5.399970
  N      -5.148072      2.650766      6.987197
  C      -4.292602      2.150996      8.057673
  C      -2.983081      1.664059      7.451637
  N      -2.487537      2.670820      6.482012
  C      -1.616365      2.083383      5.433110
  C      -2.473659      1.366148      4.404632
  C      -1.851199      3.833849      7.150698
  C      -1.968538      5.063971      6.262127
  N      -3.333111      5.178573      5.747506
  H      -1.862960      1.162750      3.505240
  H      -2.792355      0.377987      4.790428
  H      -1.091114      2.916987      4.946777
  H      -0.861106      1.413815      5.882172
  H      -1.711503      5.957313      6.861088
  H      -1.222960      5.020156      5.444049
  H      -2.398766      4.015589      8.085607
  H      -0.800060      3.607850      7.404008
  H      -4.775991      1.303798      8.577478
  H      -4.107167      2.923481      8.831827
  H      -3.174206      0.737964      6.892152
  H      -2.219983      1.454512      8.221888
  C      -4.294251      1.790562      2.830913
  C      -5.041422      0.459405      2.954750
  C      -5.791715      0.080174      1.659796
  C      -4.885724     -0.081760      0.472041
  N      -4.875861      0.909974     -0.428158
  C      -4.015918      0.799571     -1.467676
  N      -3.156941     -0.176335     -1.713769
  C      -3.157380     -1.212458     -0.816322
  C      -2.275274     -2.299730     -1.016074
  C      -2.261937     -3.362872     -0.127594
  C      -3.130657     -3.377191      0.983270
  C      -4.002811     -2.324559      1.205382
  C      -4.033601     -1.217470      0.318378
  C      -3.710906      6.547460      5.410329
  C      -2.983472      7.134882      4.188945
  C      -3.442067      6.510286      2.871753
  C      -4.825531      6.935247      2.437175
  N      -5.272312      8.114369      2.858940
  C      -6.514263      8.495652      2.464519
  N      -7.372153      7.818575      1.726033
  C      -6.940287      6.599120      1.278884
  C      -7.814797      5.798892      0.504351
  C      -7.400674      4.560818      0.046637
  C      -6.102057      4.082349      0.330523
  C      -5.232026      4.845589      1.088915
  C      -5.630138      6.110099      1.590527
  C      -6.563885      2.787831      7.344001
  C      -6.940782      4.201051      7.804800
  C      -8.390601      4.337190      8.267614
  C      -9.466526      4.172863      7.224400
  N      -9.132243      4.079086      5.923375
  C     -10.130368      3.913461      5.023440
  N     -11.425767      3.814589      5.256669
  C     -11.807368      3.935083      6.572255
  C     -13.177325      3.863167      6.900926
  C     -13.592212      3.991490      8.221266
  C     -12.649158      4.196476      9.244187
  C     -11.294076      4.268707      8.949778
  C     -10.840527      4.134015      7.612598
  H      -3.551221      1.720996      2.012737
  H      -5.008446      2.576347      2.554832
  H      -5.766541      0.540251      3.780826
  H      -4.337133     -0.344455      3.218888
  H      -6.353090     -0.850901      1.835502
  H      -6.521214      0.866331      1.417713
  H      -4.036788      1.627813     -2.184611
  H      -1.618553     -2.272107     -1.886855
  H      -1.579978     -4.199546     -0.289530
  H      -3.117024     -4.225819      1.669465
  H      -4.675954     -2.350019      2.063267
  H      -4.795051      6.578410      5.234193
  H      -3.505512      7.194271      6.285683
  H      -1.896957      6.995849      4.299415
  H      -3.169061      8.217627      4.162397
  H      -2.739951      6.781377      2.062906
  H      -3.399355      5.413194      2.949616
  H      -6.836496      9.482154      2.814468
  H      -8.810344      6.189735      0.289084
  H      -8.080506      3.944816     -0.545052
  H      -5.787990      3.100396     -0.036810
  H      -4.232830      4.468408      1.305861
  H      -6.802737      2.067778      8.148444
  H      -7.177366      2.511959      6.475437
  H      -6.282972      4.489400      8.640686
  H      -6.731935      4.907662      6.987873
  H      -8.582600      3.614298      9.080698
  H      -8.523594      5.329322      8.737735
  H      -9.811489      3.847523      3.976222
  H     -13.889873      3.708728      6.089307
  H     -14.654274      3.935547      8.466194
  H     -12.985226      4.299768     10.277536
  H     -10.575323      4.432023      9.753211
  N      -5.779532      4.113724      4.591561
  N      -6.925911      4.639176      4.260417
  H      -7.734017      4.490966      4.939928
  H      -7.138372      4.666583      3.260569
99
Coordinates from ORCA-job orca E -6259.119266005588
  N      -3.645368      2.219164      4.054924
  Mo     -4.324930      3.498696      5.408899
  N      -5.144099      2.654082      6.996964
  C      -4.275547      2.149885      8.055399
  C      -2.973631      1.663409      7.435198
  N      -2.484553      2.674510      6.467131
  C      -1.625379      2.091418      5.406720
  C      -2.494864      1.381328      4.382924
  C      -1.839260      3.831722      7.137782
  C      -1.964585      5.069760      6.261367
  N      -3.334134      5.189694      5.761676
  H      -1.893606      1.183447      3.475903
  H      -2.809747      0.390709      4.765583
  H      -1.103071      2.926629      4.919884
  H      -0.866854      1.417642      5.843996
  H      -1.700341      5.957261      6.866008
  H      -1.227113      5.032643      5.435585
  H      -2.375934      4.006162      8.080403
  H      -0.785552      3.602619      7.377238
  H      -4.754239      1.301770      8.578119
  H      -4.080500      2.920435      8.829109
  H      -3.172323      0.741237      6.871850
  H      -2.204129      1.446951      8.197099
  C      -4.325801      1.819576      2.826747
  C      -5.071017      0.486733      2.942165
  C      -5.808541      0.106881      1.640231
  C      -4.889386     -0.072498      0.465275
  N      -4.857666      0.912475     -0.441954
  C      -3.986821      0.784606     -1.470258
  N      -3.136709     -0.202863     -1.699917
  C      -3.159731     -1.232640     -0.795575
  C      -2.289092     -2.331989     -0.978718
  C      -2.298568     -3.389464     -0.083588
  C      -3.179407     -3.385799      1.017791
  C      -4.040866     -2.321131      1.223668
  C      -4.048463     -1.219234      0.329482
  C      -3.712967      6.559612      5.431108
  C      -2.996734      7.148954      4.203899
  C      -3.453748      6.515874      2.891140
  C      -4.839370      6.926559      2.451616
  N      -5.317268      8.082967      2.897861
  C      -6.560685      8.450084      2.491946
  N      -7.388845      7.780100      1.714715
  C      -6.924858      6.581784      1.242552
  C      -7.765402      5.790016      0.422833
  C      -7.318988      4.572115     -0.056727
  C      -6.021435      4.105014      0.250777
  C      -5.183690      4.861527      1.050236
  C      -5.614178      6.106834      1.571672
  C      -6.557932      2.785953      7.363626
  C      -6.938144      4.196515      7.829931
  C      -8.389178      4.326935      8.290816
  C      -9.462574      4.163325      7.244457
  N      -9.125357      4.074583      5.943866
  C     -10.121158      3.905517      5.041741
  N     -11.416408      3.800342      5.272156
  C     -11.801164      3.918297      6.587104
  C     -13.171480      3.841084      6.912779
  C     -13.589506      3.965556      8.232502
  C     -12.649202      4.172012      9.257690
  C     -11.293821      4.249710      8.966176
  C     -10.837109      4.119216      7.629640
  H      -3.587514      1.758061      2.003289
  H      -5.042691      2.606740      2.561256
  H      -5.802923      0.564351      3.762494
  H      -4.367246     -0.316018      3.210916
  H      -6.379704     -0.818490      1.814611
  H      -6.528525      0.897360      1.383925
  H      -3.988775      1.607749     -2.193351
  H      -1.622519     -2.318247     -1.842325
  H      -1.625410     -4.235597     -0.232694
  H      -3.183848     -4.230005      1.709542
  H      -4.723681     -2.332538      2.074068
  H      -4.798792      6.592842      5.265811
  H      -3.497839      7.204369      6.305606
  H      -1.908621      7.019141      4.309869
  H      -3.191544      8.230099      4.175387
  H      -2.754772      6.785218      2.078948
  H      -3.403985      5.419182      2.974344
  H      -6.910966      9.417347      2.867441
  H      -8.761409      6.170883      0.192290
  H      -7.972581      3.962322     -0.683414
  H      -5.684358      3.135503     -0.128673
  H      -4.185105      4.494298      1.285266
  H      -6.788950      2.063011      8.167791
  H      -7.176121      2.510573      6.498372
  H      -6.282493      4.482625      8.668334
  H      -6.729480      4.907091      7.016447
  H      -8.580531      3.599425      9.100035
  H      -8.526008      5.316010      8.766130
  H      -9.798989      3.841952      3.995364
  H     -13.881609      3.685204      6.099322
  H     -14.651832      3.905261      8.475229
  H     -12.987565      4.271970     10.290622
  H     -10.577346      4.413809      9.771516
  N      -5.783220      4.140982      4.605972
  N      -6.925699      4.674838      4.278260
  H      -7.736328      4.510510      4.948938
  H      -7.130460      4.740562      3.278863
99
Coordinates from ORCA-job orca E -6259.115397355605
  N      -3.688310      2.223575      4.040314
  Mo     -4.337549      3.504247      5.417243
  N      -5.145779      2.651075      7.005618
  C      -4.275506      2.140393      8.056103
  C      -2.980045      1.650696      7.419752
  N      -2.492631      2.663513      6.450643
  C      -1.652032      2.080978      5.374866
  C      -2.536127      1.375643      4.354303
  C      -1.825788      3.811475      7.116810
  C      -1.953163      5.053748      6.248063
  N      -3.329020      5.185305      5.767255
  H      -1.939516      1.171840      3.433663
  H      -2.851525      0.382464      4.745544
  H      -1.132034      2.919433      4.883511
  H      -0.890820      1.402789      5.802152
  H      -1.673029      5.935433      6.855092
  H      -1.225971      5.015787      5.411020
  H      -2.345856      3.986632      8.069116
  H      -0.770220      3.571677      7.339399
  H      -4.756079      1.297563      8.581479
  H      -4.067581      2.904967      8.828520
  H      -3.193460      0.734768      6.855210
  H      -2.202996      1.423988      8.168275
  C      -4.379692      1.840799      2.807936
  C      -5.120549      0.494913      2.913258
  C      -5.833046      0.106588      1.598226
  C      -4.885703     -0.079155      0.447284
  N      -4.833394      0.905049     -0.476414
  C      -3.938581      0.780435     -1.485171
  N      -3.078561     -0.204563     -1.682179
  C      -3.121480     -1.234905     -0.760580
  C      -2.241539     -2.332798     -0.906934
  C      -2.270856     -3.392171      0.005996
  C      -3.182038     -3.392872      1.088249
  C      -4.053074     -2.329643      1.258826
  C      -4.039735     -1.225102      0.346461
  C      -3.691493      6.566404      5.427825
  C      -2.994810      7.138494      4.175534
  C      -3.472782      6.495880      2.876809
  C      -4.854402      6.925689      2.437991
  N      -5.337061      8.083439      2.892933
  C      -6.577869      8.466622      2.479299
  N      -7.396204      7.811017      1.691975
  C      -6.924667      6.607838      1.210366
  C      -7.748467      5.822916      0.376012
  C      -7.291500      4.597831     -0.113284
  C      -6.000816      4.112931      0.203472
  C      -5.179150      4.862164      1.017407
  C      -5.618697      6.115692      1.544258
  C      -6.557187      2.772381      7.383651
  C      -6.934912      4.183894      7.867524
  C      -8.385551      4.318379      8.324484
  C      -9.451992      4.165853      7.270578
  N      -9.098616      4.107519      5.966606
  C     -10.086839      3.938315      5.060387
  N     -11.389517      3.813421      5.285820
  C     -11.791091      3.907274      6.603041
  C     -13.170871      3.813376      6.925709
  C     -13.606464      3.913833      8.249371
  C     -12.673684      4.111290      9.281160
  C     -11.309247      4.204392      8.992754
  C     -10.834930      4.099118      7.652094
  H      -3.645099      1.793547      1.976091
  H      -5.104138      2.629955      2.557231
  H      -5.869702      0.560278      3.721067
  H      -4.412162     -0.304453      3.197635
  H      -6.413231     -0.823878      1.772764
  H      -6.545044      0.903717      1.313084
  H      -3.926584      1.605057     -2.221484
  H      -1.551402     -2.317271     -1.756708
  H      -1.589740     -4.237151     -0.114227
  H      -3.202932     -4.239311      1.793694
  H      -4.760593     -2.344681      2.094418
  H      -4.775903      6.618057      5.285746
  H      -3.445595      7.223867      6.289957
  H      -1.908027      6.999664      4.263572
  H      -3.180361      8.224491      4.138842
  H      -2.778132      6.737536      2.049168
  H      -3.437727      5.396818      2.981140
  H      -6.930092      9.437924      2.854578
  H      -8.740472      6.212509      0.139813
  H      -7.932462      3.993823     -0.751980
  H      -5.661821      3.133598     -0.180231
  H      -4.186312      4.480926      1.265144
  H      -6.777259      2.036990      8.184717
  H      -7.182031      2.503995      6.515168
  H      -6.278997      4.457542      8.715708
  H      -6.719437      4.902098      7.062031
  H      -8.576884      3.581176      9.128970
  H      -8.522637      5.308632      8.811420
  H      -9.748115      3.905986      4.012011
  H     -13.874817      3.665891      6.107201
  H     -14.676402      3.842629      8.489009
  H     -13.025021      4.193434     10.316968
  H     -10.598912      4.363011      9.803091
  N      -5.779665      4.215651      4.638159
  N      -6.906826      4.797271      4.346096
  H      -7.719456      4.602265      5.004126
  H      -7.096375      4.942586      3.310342
99
Coordinates from ORCA-job orca E -6259.117046257268
  N      -3.698734      2.225931      4.037498
  Mo     -4.348750      3.495876      5.417021
  N      -5.156789      2.652480      7.008984
  C      -4.288685      2.152974      8.060452
  C      -2.991386      1.661452      7.428473
  N      -2.498698      2.668896      6.458582
  C      -1.662297      2.083205      5.385435
  C      -2.544385      1.383485      4.365518
  C      -1.830832      3.815657      7.116620
  C      -1.959060      5.046287      6.241738
  N      -3.334801      5.176720      5.760966
  H      -1.942960      1.180711      3.458842
  H      -2.865410      0.398940      4.754319
  H      -1.143071      2.915439      4.895734
  H      -0.906248      1.405305      5.807394
  H      -1.679311      5.930434      6.837639
  H      -1.231462      5.000831      5.408017
  H      -2.349139      3.997430      8.068215
  H      -0.773364      3.575511      7.337841
  H      -4.770861      1.315659      8.591615
  H      -4.083467      2.920216      8.826620
  H      -3.202664      0.742802      6.868535
  H      -2.220155      1.438736      8.181692
  C      -4.382427      1.843306      2.802316
  C      -5.103387      0.499453      2.892469
  C      -5.799956      0.106915      1.574608
  C      -4.855084     -0.072896      0.434455
  N      -4.794410      0.904324     -0.472264
  C      -3.899523      0.779815     -1.467351
  N      -3.040447     -0.197539     -1.665722
  C      -3.092260     -1.219499     -0.763406
  C      -2.216085     -2.308814     -0.914748
  C      -2.254873     -3.360826     -0.023185
  C      -3.171727     -3.362535      1.042438
  C      -4.039999     -2.307024      1.217816
  C      -4.015616     -1.210272      0.327577
  C      -3.690076      6.556130      5.412906
  C      -2.985515      7.112251      4.160174
  C      -3.467966      6.449971      2.873299
  C      -4.848570      6.873814      2.440970
  N      -5.318600      8.016472      2.904010
  C      -6.557106      8.386951      2.505189
  N      -7.385187      7.736466      1.720274
  C      -6.929356      6.553127      1.227223
  C      -7.770128      5.785891      0.389885
  C      -7.330637      4.582666     -0.110120
  C      -6.038492      4.095917      0.201123
  C      -5.202552      4.830429      1.017666
  C      -5.626182      6.069634      1.550758
  C      -6.566231      2.774893      7.391609
  C      -6.944762      4.187328      7.879184
  C      -8.395591      4.320521      8.331275
  C      -9.467565      4.170503      7.277835
  N      -9.132496      4.102271      5.976830
  C     -10.126663      3.935954      5.074686
  N     -11.417587      3.817472      5.298842
  C     -11.800525      3.921324      6.611417
  C     -13.164166      3.838851      6.929578
  C     -13.580017      3.950415      8.245315
  C     -12.642064      4.148772      9.273670
  C     -11.292560      4.232147      8.989399
  C     -10.837231      4.114727      7.656241
  H      -3.649341      1.801927      1.974186
  H      -5.113496      2.622250      2.551402
  H      -5.851408      0.555276      3.692176
  H      -4.393802     -0.288298      3.171333
  H      -6.369251     -0.818743      1.738217
  H      -6.507406      0.889298      1.294109
  H      -3.884516      1.596390     -2.190873
  H      -1.521219     -2.292815     -1.752266
  H      -1.575891     -4.199465     -0.147530
  H      -3.200659     -4.203021      1.731140
  H      -4.753139     -2.322247      2.040272
  H      -4.772693      6.613958      5.273251
  H      -3.439682      7.218210      6.266486
  H      -1.897887      6.971295      4.248914
  H      -3.168409      8.203010      4.113465
  H      -2.779298      6.681482      2.044175
  H      -3.434061      5.349254      2.985810
  H      -6.896861      9.340411      2.891479
  H      -8.761526      6.175653      0.157443
  H      -7.984195      3.991574     -0.752890
  H      -5.708195      3.124843     -0.190330
  H      -4.208068      4.441971      1.259768
  H      -6.782064      2.036060      8.194176
  H      -7.193050      2.506647      6.522884
  H      -6.294921      4.460691      8.734315
  H      -6.722283      4.907164      7.071518
  H      -8.582956      3.583623      9.137541
  H      -8.531894      5.308503      8.818405
  H      -9.803820      3.895111      4.028419
  H     -13.872156      3.690572      6.113179
  H     -14.637303      3.886997      8.481751
  H     -12.977512      4.239780     10.303618
  H     -10.578343      4.392222      9.796983
  N      -5.791783      4.250587      4.660158
  N      -6.924922      4.856233      4.382188
  H      -7.757641      4.628403      5.030249
  H      -7.114664      5.045615      3.369908
99
Coordinates from ORCA-job orca E -6259.111777774554
  N      -3.704850      2.236775      4.034774
  Mo     -4.357922      3.511015      5.406484
  N      -5.164182      2.668766      7.002092
  C      -4.285194      2.163416      8.054062
  C      -2.993275      1.667309      7.419337
  N      -2.504952      2.676887      6.450827
  C      -1.670526      2.088983      5.371138
  C      -2.561780      1.394411      4.353548
  C      -1.838830      3.822951      7.117620
  C      -1.965515      5.059647      6.245725
  N      -3.338681      5.188625      5.761214
  H      -1.972435      1.190897      3.452730
  H      -2.887431      0.414907      4.735409
  H      -1.147871      2.917920      4.879371
  H      -0.911326      1.401918      5.788280
  H      -1.686844      5.945229      6.849272
  H      -1.237631      5.020124      5.411302
  H      -2.358650      4.001157      8.070491
  H      -0.782885      3.583478      7.340648
  H      -4.762708      1.318346      8.587178
  H      -4.071175      2.935325      8.829152
  H      -3.205499      0.746753      6.852601
  H      -2.218401      1.440058      8.176997
  C      -4.379397      1.850092      2.807633
  C      -5.104922      0.511910      2.901853
  C      -5.803187      0.125937      1.578400
  C      -4.842013     -0.062580      0.426237
  N      -4.783123      0.922477     -0.475643
  C      -3.867382      0.781586     -1.481533
  N      -2.995144     -0.219288     -1.690403
  C      -3.047824     -1.248404     -0.792295
  C      -2.162166     -2.359889     -0.957415
  C      -2.202374     -3.416868     -0.072380
  C      -3.126729     -3.402522      1.002638
  C      -4.004733     -2.326019      1.191161
  C      -3.983613     -1.222572      0.306607
  C      -3.691242      6.541793      5.423116
  C      -2.979136      7.099255      4.190065
  C      -3.451728      6.438140      2.899608
  C      -4.843414      6.847271      2.473924
  N      -5.328275      7.997342      2.960983
  C      -6.584703      8.364115      2.579174
  N      -7.413942      7.694463      1.784396
  C      -6.942542      6.505344      1.265179
  C      -7.788954      5.729618      0.418913
  C      -7.345653      4.542827     -0.105961
  C      -6.045515      4.083900      0.185947
  C      -5.201620      4.822467      1.009856
  C      -5.626197      6.039149      1.571503
  C      -6.574684      2.801310      7.379359
  C      -6.946736      4.203911      7.859197
  C      -8.397518      4.340936      8.313796
  C      -9.474766      4.195710      7.269873
  N      -9.148591      4.127932      5.967820
  C     -10.153129      3.971084      5.069350
  N     -11.444561      3.858685      5.303595
  C     -11.819685      3.959884      6.622264
  C     -13.187865      3.881590      6.954523
  C     -13.595284      3.990536      8.278352
  C     -12.645835      4.181451      9.301223
  C     -11.292770      4.260136      9.002460
  C     -10.846482      4.145677      7.661380
  H      -3.642123      1.805439      1.979341
  H      -5.106981      2.634484      2.553421
  H      -5.858883      0.578323      3.706865
  H      -4.394924     -0.284405      3.181575
  H      -6.375733     -0.793882      1.740290
  H      -6.518661      0.915502      1.296854
  H      -3.846362      1.604310     -2.202935
  H      -1.464830     -2.352799     -1.800721
  H      -1.520085     -4.271869     -0.207570
  H      -3.155184     -4.246500      1.686958
  H      -4.720414     -2.329743      2.019760
  H      -4.783760      6.594635      5.275012
  H      -3.449647      7.188529      6.277044
  H      -1.885616      6.967009      4.290215
  H      -3.169918      8.171976      4.144861
  H      -2.757955      6.678367      2.075934
  H      -3.409660      5.345988      3.006547
  H      -6.942277      9.328270      2.995374
  H      -8.788726      6.109330      0.200894
  H      -8.003576      3.948955     -0.755887
  H      -5.712776      3.139114     -0.221937
  H      -4.203441      4.458710      1.231355
  H      -6.798972      2.076746      8.174972
  H      -7.200579      2.536951      6.522857
  H      -6.299315      4.473345      8.702945
  H      -6.721156      4.914662      7.055726
  H      -8.590093      3.613615      9.115326
  H      -8.528387      5.318699      8.795468
  H      -9.838645      3.920162      4.022907
  H     -13.904586      3.738782      6.142455
  H     -14.655918      3.929955      8.526063
  H     -12.974634      4.269703     10.338245
  H     -10.569655      4.413499      9.805373
  N      -5.803505      4.233243      4.631427
  N      -6.935872      4.819891      4.328441
  H      -7.753784      4.619596      4.966674
  H      -7.113835      4.962824      3.399880
99
Coordinates from ORCA-job orca E -6259.113975578854
  N      -3.678244      2.244335      4.068275
  Mo     -4.338362      3.518320      5.433811
  N      -5.145928      2.672117      7.022638
  C      -4.262367      2.166279      8.084773
  C      -2.966085      1.673542      7.448349
  N      -2.489334      2.693369      6.469432
  C      -1.644678      2.111019      5.384501
  C      -2.533860      1.402740      4.372254
  C      -1.825597      3.848104      7.138083
  C      -1.952344      5.086641      6.265543
  N      -3.325600      5.200540      5.783100
  H      -1.951642      1.199646      3.453830
  H      -2.849090      0.411811      4.759946
  H      -1.128948      2.955452      4.887575
  H      -0.871177      1.426468      5.805542
  H      -1.677368      5.975944      6.870899
  H      -1.224899      5.049806      5.428291
  H      -2.347548      4.022845      8.089577
  H      -0.773386      3.613723      7.362885
  H      -4.740261      1.312937      8.617133
  H      -4.053243      2.945899      8.864673
  H      -3.174370      0.746035      6.882667
  H      -2.182771      1.450617      8.201959
  C      -4.354428      1.856631      2.845455
  C      -5.089384      0.516980      2.929164
  C      -5.792449      0.146018      1.597613
  C      -4.839585     -0.056379      0.442251
  N      -4.760642      0.931278     -0.457122
  C      -3.872630      0.788710     -1.467265
  N      -3.053554     -0.213842     -1.683605
  C      -3.122184     -1.248914     -0.787801
  C      -2.285163     -2.366196     -0.961219
  C      -2.344407     -3.430715     -0.080330
  C      -3.239336     -3.417363      0.997388
  C      -4.065157     -2.335484      1.195372
  C      -4.025365     -1.223645      0.315611
  C      -3.696940      6.557118      5.438264
  C      -3.006002      7.121480      4.186586
  C      -3.474978      6.466230      2.888239
  C      -4.869187      6.858876      2.467961
  N      -5.376371      7.998507      2.963579
  C      -6.637303      8.360087      2.576751
  N      -7.456229      7.702027      1.770900
  C      -6.961175      6.526253      1.247634
  C      -7.784903      5.751255      0.395164
  C      -7.306170      4.550226     -0.135087
  C      -6.001702      4.093342      0.159799
  C      -5.178221      4.830986      0.994382
  C      -5.633149      6.052350      1.558767
  C      -6.556831      2.793665      7.389945
  C      -6.932014      4.190096      7.862551
  C      -8.385615      4.327248      8.305814
  C      -9.449174      4.176776      7.249121
  N      -9.097535      4.109919      5.950273
  C     -10.093477      3.940758      5.042343
  N     -11.395478      3.819555      5.266348
  C     -11.790833      3.925022      6.582650
  C     -13.173050      3.841850      6.908708
  C     -13.601419      3.955281      8.234316
  C     -12.661092      4.155354      9.265587
  C     -11.296205      4.238886      8.973272
  C     -10.830015      4.120718      7.630675
  H      -3.623959      1.818274      2.013168
  H      -5.071602      2.647431      2.607390
  H      -5.848886      0.583214      3.735739
  H      -4.386979     -0.288790      3.203702
  H      -6.384237     -0.769052      1.752532
  H      -6.492558      0.955631      1.316921
  H      -3.836904      1.613929     -2.185580
  H      -1.609757     -2.357967     -1.806632
  H      -1.698547     -4.290354     -0.221671
  H      -3.282202     -4.268175      1.676833
  H      -4.755374     -2.344196      2.024710
  H      -4.794176      6.604894      5.294217
  H      -3.459064      7.214147      6.297936
  H      -1.914835      7.001035      4.277304
  H      -3.208252      8.185569      4.147511
  H      -2.787142      6.722035      2.058700
  H      -3.415633      5.383542      2.986473
  H      -7.010408      9.312535      2.996286
  H      -8.789960      6.125341      0.177670
  H      -7.945414      3.956652     -0.790999
  H      -5.655448      3.156756     -0.252324
  H      -4.179971      4.473195      1.224186
  H      -6.778400      2.072134      8.182772
  H      -7.174362      2.526538      6.533112
  H      -6.286705      4.454950      8.704490
  H      -6.712000      4.906731      7.068889
  H      -8.588100      3.599259      9.101339
  H      -8.523519      5.308972      8.785568
  H      -9.765640      3.898073      3.997346
  H     -13.883125      3.691747      6.091932
  H     -14.672442      3.891909      8.477242
  H     -13.007078      4.247252     10.302389
  H     -10.578910      4.399478      9.781330
  N      -5.774823      4.208505      4.658718
  N      -6.869991      4.757096      4.340552
  H      -7.686661      4.568085      4.947384
  H      -7.022945      4.879199      3.314099
99
Coordinates from ORCA-job orca E -6259.114597592341
  N      -3.699334      2.247933      4.032787
  Mo     -4.342916      3.518763      5.414972
  N      -5.148045      2.667641      7.006423
  C      -4.268145      2.154459      8.047878
  C      -2.978943      1.660501      7.408376
  N      -2.492865      2.674111      6.442642
  C      -1.659252      2.093753      5.364595
  C      -2.546250      1.396215      4.348049
  C      -1.822599      3.813180      7.112658
  C      -1.945178      5.057804      6.246408
  N      -3.319442      5.193128      5.768340
  H      -1.954001      1.196146      3.427579
  H      -2.865449      0.401537      4.733534
  H      -1.141188      2.929929      4.878288
  H      -0.900171      1.412212      5.782106
  H      -1.665163      5.937883      6.851808
  H      -1.218507      5.018560      5.411168
  H      -2.342032      3.986018      8.064916
  H      -0.766563      3.565996      7.333715
  H      -4.745564      1.312467      8.573079
  H      -4.059043      2.917560      8.815705
  H      -3.192733      0.745911      6.842787
  H      -2.203064      1.431687      8.157651
  C      -4.389910      1.868065      2.793507
  C      -5.128890      0.525816      2.889169
  C      -5.831202      0.143112      1.568103
  C      -4.872983     -0.057521      0.427372
  N      -4.786753      0.919389     -0.500845
  C      -3.882198      0.766745     -1.497512
  N      -3.042884     -0.237534     -1.677286
  C      -3.118294     -1.260417     -0.750880
  C      -2.255954     -2.381336     -0.879883
  C      -2.320983     -3.434216      0.039668
  C      -3.252088     -3.403294      1.111749
  C      -4.101931     -2.317243      1.264161
  C      -4.050448     -1.221151      0.344337
  C      -3.687237      6.586005      5.425266
  C      -2.980865      7.153238      4.169776
  C      -3.451622      6.499344      2.872646
  C      -4.840446      6.903515      2.443307
  N      -5.335823      8.019683      2.921254
  C      -6.576060      8.366557      2.526839
  N      -7.395072      7.728573      1.728752
  C      -6.912082      6.574576      1.220347
  C      -7.729855      5.806200      0.369264
  C      -7.253694      4.609146     -0.152283
  C      -5.952700      4.146286      0.149714
  C      -5.138780      4.883024      0.980149
  C      -5.596753      6.107919      1.538838
  C      -6.561342      2.797519      7.390819
  C      -6.943771      4.205387      7.883571
  C      -8.402877      4.319770      8.340064
  C      -9.469144      4.160775      7.284827
  N      -9.126640      4.106513      5.983785
  C     -10.114569      3.933686      5.076563
  N     -11.403070      3.795434      5.302570
  C     -11.792868      3.882013      6.616784
  C     -13.155004      3.774044      6.933265
  C     -13.576381      3.867401      8.248582
  C     -12.648317      4.072648      9.280410
  C     -11.301939      4.180717      8.999032
  C     -10.840731      4.082507      7.665336
  H      -3.655530      1.827829      1.967302
  H      -5.116682      2.650709      2.539475
  H      -5.881203      0.590418      3.687861
  H      -4.426496     -0.267474      3.175687
  H      -6.420601     -0.779217      1.738479
  H      -6.534245      0.935243      1.275485
  H      -3.844677      1.584002     -2.238640
  H      -1.550139     -2.389571     -1.722491
  H      -1.653825     -4.296803     -0.067013
  H      -3.301148     -4.243676      1.822937
  H      -4.823680     -2.305816      2.091933
  H      -4.772119      6.640741      5.282895
  H      -3.445511      7.243176      6.292156
  H      -1.893423      7.022582      4.263144
  H      -3.176246      8.244712      4.126981
  H      -2.755091      6.752815      2.046402
  H      -3.406692      5.394190      2.972071
  H      -6.936656      9.299978      2.927213
  H      -8.728048      6.178399      0.144474
  H      -7.887853      4.014779     -0.805159
  H      -5.590973      3.180033     -0.259145
  H      -4.136519      4.514621      1.215886
  H      -6.784078      2.059015      8.191882
  H      -7.189287      2.532418      6.523876
  H      -6.294473      4.477581      8.734376
  H      -6.728661      4.935079      7.082169
  H      -8.596287      3.575314      9.140395
  H      -8.551934      5.305122      8.832082
  H      -9.791484      3.902523      4.027162
  H     -13.856152      3.620288      6.114815
  H     -14.632994      3.783913      8.484063
  H     -12.990452      4.148472     10.310880
  H     -10.594931      4.344149      9.809168
  N      -5.799391      4.243549      4.668443
  N      -6.940433      4.833838      4.380846
  H      -7.758726      4.618119      5.050288
  H      -7.157221      5.007369      3.352048
99
Coordinates from ORCA-job orca E -6259.111512735897
  N      -3.681265      2.266000      4.019175
  Mo     -4.325509      3.533471      5.398221
  N      -5.140224      2.680625      6.987130
  C      -4.267516      2.165843      8.022501
  C      -2.976684      1.678328      7.392465
  N      -2.483642      2.687870      6.436497
  C      -1.645605      2.105442      5.367126
  C      -2.530633      1.411527      4.346475
  C      -1.814703      3.822068      7.108672
  C      -1.927154      5.065076      6.239246
  N      -3.300248      5.205322      5.753104
  H      -1.936926      1.205267      3.434559
  H      -2.853750      0.426877      4.731883
  H      -1.121130      2.934165      4.885968
  H      -0.896785      1.424970      5.786878
  H      -1.646049      5.944019      6.844394
  H      -1.197244      5.021518      5.408182
  H      -2.339397      3.997359      8.057120
  H      -0.759720      3.571353      7.337709
  H      -4.747351      1.324654      8.540603
  H      -4.059619      2.921686      8.791464
  H      -3.185493      0.770843      6.825517
  H      -2.208568      1.449870      8.142846
  C      -4.367253      1.889683      2.776374
  C      -5.109997      0.556972      2.869371
  C      -5.799818      0.177065      1.557911
  C      -4.850122     -0.042385      0.439172
  N      -4.750413      0.911741     -0.463979
  C      -3.849705      0.731231     -1.441735
  N      -3.026184     -0.284175     -1.624080
  C      -3.124704     -1.281692     -0.721330
  C      -2.298412     -2.407366     -0.853522
  C      -2.389170     -3.433399      0.043219
  C      -3.310509     -3.369674      1.097792
  C      -4.131242     -2.276292      1.251290
  C      -4.053690     -1.208603      0.352872
  C      -3.658891      6.582853      5.414485
  C      -2.953867      7.141222      4.175681
  C      -3.428882      6.481497      2.881800
  C      -4.824086      6.886166      2.453469
  N      -5.329562      8.042080      2.937123
  C      -6.579750      8.402054      2.549025
  N      -7.392577      7.731379      1.753943
  C      -6.896779      6.533402      1.232749
  C      -7.718536      5.749869      0.374894
  C      -7.258608      4.577470     -0.160849
  C      -5.954145      4.121625      0.132010
  C      -5.132411      4.858779      0.967737
  C      -5.582031      6.074973      1.542778
  C      -6.555389      2.804033      7.373282
  C      -6.950360      4.211818      7.877856
  C      -8.409094      4.311733      8.337731
  C      -9.482786      4.152050      7.287144
  N      -9.144713      4.108278      5.983297
  C     -10.135666      3.936958      5.079149
  N     -11.430581      3.788473      5.310745
  C     -11.821647      3.863725      6.627618
  C     -13.193173      3.746413      6.950304
  C     -13.617048      3.829253      8.267828
  C     -12.680819      4.031960      9.295815
  C     -11.324614      4.147997      9.008431
  C     -10.860520      4.061735      7.672620
  H      -3.632109      1.839196      1.948341
  H      -5.087185      2.678415      2.521936
  H      -5.858469      0.636041      3.660063
  H      -4.418857     -0.242501      3.154416
  H      -6.395682     -0.728018      1.715723
  H      -6.479373      0.970375      1.267906
  H      -3.792524      1.530983     -2.165792
  H      -1.598669     -2.440052     -1.681632
  H      -1.748993     -4.300654     -0.065829
  H      -3.379704     -4.188482      1.793707
  H      -4.851360     -2.236768      2.067372
  H      -4.739125      6.633440      5.270546
  H      -3.412366      7.236767      6.273997
  H      -1.864038      7.008791      4.275892
  H      -3.146978      8.232242      4.129774
  H      -2.738049      6.723150      2.061313
  H      -3.382021      5.375567      2.989178
  H      -6.951127      9.363321      2.959226
  H      -8.719896      6.122099      0.156104
  H      -7.902609      3.985967     -0.820078
  H      -5.597055      3.162292     -0.287514
  H      -4.125920      4.497843      1.196006
  H      -6.777522      2.060021      8.175018
  H      -7.183164      2.536836      6.502785
  H      -6.301753      4.487640      8.737881
  H      -6.738193      4.952512      7.076793
  H      -8.593240      3.559613      9.138060
  H      -8.563193      5.294353      8.836399
  H      -9.808471      3.908773      4.032505
  H     -13.900350      3.595003      6.134382
  H     -14.681219      3.739824      8.509040
  H     -13.024885      4.099719     10.328695
  H     -10.613166      4.309517      9.816785
  N      -5.786670      4.262027      4.646101
  N      -6.951795      4.865763      4.351620
  H      -7.777385      4.655987      5.019731
  H      -7.156384      5.042049      3.382813
99
Coordinates from ORCA-job orca E -6259.115184465933
  N      -3.684819      2.255497      4.048998
  Mo     -4.350328      3.522854      5.418401
  N      -5.160827      2.673499      7.004879
  C      -4.286622      2.167183      8.063737
  C      -2.988633      1.680014      7.432491
  N      -2.503578      2.698899      6.460831
  C      -1.655377      2.117546      5.384262
  C      -2.540351      1.416387      4.367244
  C      -1.841485      3.848530      7.131244
  C      -1.965030      5.083716      6.256820
  N      -3.336228      5.200648      5.770092
  H      -1.951131      1.216846      3.464082
  H      -2.859532      0.435145      4.747171
  H      -1.135164      2.955251      4.891177
  H      -0.889936      1.436110      5.808688
  H      -1.694715      5.971921      6.859550
  H      -1.234710      5.045883      5.424985
  H      -2.367510      4.025696      8.079186
  H      -0.789646      3.610878      7.360335
  H      -4.765588      1.314677      8.591792
  H      -4.083018      2.942117      8.841754
  H      -3.192302      0.757465      6.864509
  H      -2.212632      1.457375      8.189860
  C      -4.355265      1.874703      2.820993
  C      -5.096875      0.539443      2.901983
  C      -5.786406      0.173563      1.565019
  C      -4.820717     -0.034769      0.420210
  N      -4.723411      0.952993     -0.484259
  C      -3.815027      0.793719     -1.486585
  N      -2.985058     -0.227177     -1.690181
  C      -3.076473     -1.258745     -0.788662
  C      -2.239306     -2.388918     -0.949328
  C      -2.319070     -3.450237     -0.065311
  C      -3.234940     -3.422032      1.004856
  C      -4.066957     -2.325483      1.191329
  C      -4.007245     -1.215673      0.307037
  C      -3.699465      6.550523      5.428929
  C      -3.000877      7.108478      4.189459
  C      -3.465389      6.446498      2.897558
  C      -4.860025      6.832257      2.479344
  N      -5.367941      7.969740      2.984501
  C      -6.631050      8.322557      2.606957
  N      -7.447314      7.646484      1.800872
  C      -6.951367      6.472653      1.265559
  C      -7.780710      5.695747      0.412631
  C      -7.315811      4.529949     -0.124880
  C      -6.007475      4.086946      0.159474
  C      -5.179567      4.828098      0.990760
  C      -5.626840      6.025262      1.567008
  C      -6.565689      2.793806      7.374997
  C      -6.939401      4.191570      7.855133
  C      -8.384895      4.325018      8.306276
  C      -9.456979      4.180844      7.259290
  N      -9.129838      4.119063      5.961333
  C     -10.133890      3.963992      5.059717
  N     -11.423926      3.852073      5.288469
  C     -11.798820      3.947985      6.605271
  C     -13.170663      3.870411      6.938152
  C     -13.578511      3.975818      8.265601
  C     -12.626515      4.162016      9.290924
  C     -11.270760      4.239467      8.990561
  C     -10.825501      4.129389      7.647121
  H      -3.614332      1.834923      1.997312
  H      -5.072713      2.665492      2.571944
  H      -5.863835      0.609512      3.700863
  H      -4.396876     -0.269755      3.189426
  H      -6.383764     -0.735226      1.718034
  H      -6.481550      0.984363      1.273125
  H      -3.764491      1.617670     -2.210645
  H      -1.545809     -2.391931     -1.789522
  H      -1.671753     -4.320487     -0.197721
  H      -3.292493     -4.270793      1.687589
  H      -4.775906     -2.320452      2.015786
  H      -4.789323      6.594801      5.282150
  H      -3.464725      7.201140      6.284065
  H      -1.912408      6.988495      4.286262
  H      -3.201637      8.176077      4.143462
  H      -2.782072      6.699728      2.074559
  H      -3.405826      5.361970      3.000941
  H      -7.008075      9.268493      3.035845
  H      -8.788223      6.060462      0.203624
  H      -7.961208      3.936704     -0.778694
  H      -5.660632      3.161697     -0.254894
  H      -4.175496      4.476292      1.209485
  H      -6.785991      2.066080      8.168510
  H      -7.187146      2.528437      6.514524
  H      -6.289053      4.457280      8.698474
  H      -6.724023      4.909755      7.059478
  H      -8.578249      3.595526      9.101476
  H      -8.518671      5.302159      8.787117
  H      -9.822456      3.923931      4.012505
  H     -13.889575      3.731284      6.125576
  H     -14.640467      3.916557      8.514703
  H     -12.956447      4.247495     10.329271
  H     -10.544741      4.389158      9.794381
  N      -5.799962      4.222092      4.655105
  N      -6.906800      4.776606      4.341470
  H      -7.734605      4.569001      4.957152
  H      -7.056004      4.908004      3.364079
99
Coordinates from ORCA-job orca E -6259.113326835262
  N      -3.698981      2.259698      4.028234
  Mo     -4.349153      3.524242      5.407203
  N      -5.158943      2.675785      6.998391
  C      -4.283492      2.154916      8.048680
  C      -2.991355      1.662118      7.408529
  N      -2.503750      2.681421      6.441621
  C      -1.668389      2.097293      5.358585
  C      -2.555811      1.403151      4.337798
  C      -1.834352      3.823487      7.117081
  C      -1.954259      5.065145      6.248127
  N      -3.326100      5.195612      5.762790
  H      -1.964439      1.202804      3.418019
  H      -2.880634      0.407666      4.718875
  H      -1.146162      2.933688      4.872711
  H      -0.908147      1.410081      5.777157
  H      -1.676375      5.950023      6.852939
  H      -1.223984      5.024275      5.414195
  H      -2.359089      3.997031      8.067952
  H      -0.782197      3.578839      7.342895
  H      -4.764796      1.309330      8.572407
  H      -4.073491      2.920437      8.827169
  H      -3.203652      0.743567      6.835886
  H      -2.213765      1.431711      8.162720
  C      -4.376568      1.884406      2.791344
  C      -5.120533      0.548889      2.869249
  C      -5.805037      0.173883      1.536389
  C      -4.828258     -0.046978      0.407504
  N      -4.707214      0.929108     -0.515853
  C      -3.786921      0.756237     -1.499745
  N      -2.965127     -0.264990     -1.670657
  C      -3.071069     -1.288466     -0.751986
  C      -2.222870     -2.428339     -0.875257
  C      -2.316249     -3.481211      0.032712
  C      -3.259491     -3.432561      1.086369
  C      -4.096322     -2.329783      1.235248
  C      -4.019125     -1.230637      0.327386
  C      -3.689460      6.578272      5.423617
  C      -2.983460      7.141781      4.166698
  C      -3.457969      6.486840      2.870557
  C      -4.857077      6.890834      2.454517
  N      -5.349784      7.997064      2.943052
  C      -6.604254      8.344056      2.567426
  N      -7.438499      7.712351      1.779458
  C      -6.955377      6.570830      1.260943
  C      -7.784196      5.807741      0.416853
  C      -7.290901      4.582804     -0.134916
  C      -5.974155      4.120059      0.137478
  C      -5.155096      4.865834      0.966725
  C      -5.622013      6.097606      1.552505
  C      -6.568907      2.805290      7.377536
  C      -6.939941      4.208515      7.874018
  C      -8.393863      4.329200      8.334325
  C      -9.461706      4.181840      7.281553
  N      -9.115364      4.139979      5.973628
  C     -10.109621      3.981687      5.067400
  N     -11.407880      3.843280      5.302953
  C     -11.798188      3.915288      6.625363
  C     -13.169332      3.804197      6.954616
  C     -13.590453      3.883473      8.282065
  C     -12.653827      4.076820      9.312638
  C     -11.299706      4.186206      9.018237
  C     -10.839483      4.101914      7.672757
  H      -3.638700      1.840895      1.971308
  H      -5.092023      2.674757      2.541175
  H      -5.880893      0.620577      3.661740
  H      -4.430532     -0.252758      3.156841
  H      -6.406847     -0.738372      1.688562
  H      -6.492059      0.980831      1.240151
  H      -3.720389      1.572197     -2.232528
  H      -1.508912     -2.449103     -1.702793
  H      -1.662851     -4.356226     -0.070225
  H      -3.329391     -4.272689      1.785667
  H      -4.822660     -2.307342      2.046434
  H      -4.782850      6.633605      5.280435
  H      -3.444211      7.229898      6.288478
  H      -1.891075      7.009346      4.258965
  H      -3.180195      8.224102      4.121643
  H      -2.760576      6.741018      2.036335
  H      -3.407257      5.385370      2.972602
  H      -6.966182      9.276731      2.974877
  H      -8.794616      6.184478      0.215495
  H      -7.928617      3.981419     -0.786757
  H      -5.608541      3.155911     -0.290647
  H      -4.145634      4.500511      1.178142
  H      -6.796373      2.071732      8.171477
  H      -7.194793      2.544598      6.515300
  H      -6.290715      4.470019      8.721174
  H      -6.722333      4.936498      7.080865
  H      -8.588299      3.584595      9.127892
  H      -8.537489      5.309938      8.830847
  H      -9.782744      3.954596      4.017255
  H     -13.876668      3.659926      6.138302
  H     -14.652563      3.798021      8.526965
  H     -12.995573      4.141398     10.350818
  H     -10.585212      4.339482      9.826021
  N      -5.803042      4.242997      4.664744
  N      -6.922133      4.817998      4.381993
  H      -7.727231      4.595233      5.037309
  H      -7.125677      4.986882      3.375490
99
Coordinates from ORCA-job orca E -6259.113247288171
  N      -3.699517      2.268003      4.023396
  Mo     -4.335770      3.532017      5.417911
  N      -5.139787      2.674967      7.010704
  C      -4.253920      2.154453      8.042538
  C      -2.966435      1.665006      7.397466
  N      -2.482331      2.681296      6.437466
  C      -1.653357      2.100198      5.355823
  C      -2.549870      1.409020      4.335213
  C      -1.806287      3.815434      7.106753
  C      -1.927049      5.060204      6.238696
  N      -3.306002      5.201686      5.763227
  H      -1.963983      1.209535      3.408710
  H      -2.874743      0.413344      4.717747
  H      -1.130081      2.939158      4.870690
  H      -0.895133      1.411530      5.770791
  H      -1.640658      5.939577      6.842522
  H      -1.203745      5.016371      5.400168
  H      -2.322824      3.989445      8.061562
  H      -0.748347      3.563888      7.325001
  H      -4.729755      1.308227      8.565842
  H      -4.038283      2.913334      8.815695
  H      -3.180663      0.754693      6.827000
  H      -2.190424      1.432893      8.143296
  C      -4.386564      1.896224      2.777558
  C      -5.132899      0.558418      2.873067
  C      -5.820905      0.180682      1.544228
  C      -4.853280     -0.035044      0.420138
  N      -4.742294      0.934184     -0.504710
  C      -3.838079      0.769652     -1.487601
  N      -3.023378     -0.240777     -1.659307
  C      -3.126096     -1.258761     -0.736546
  C      -2.296347     -2.388568     -0.857048
  C      -2.394335     -3.435019      0.063304
  C      -3.328028     -3.385232      1.125814
  C      -4.144599     -2.291882      1.266927
  C      -4.058591     -1.204603      0.346386
  C      -3.674791      6.593119      5.422279
  C      -2.973561      7.159562      4.169624
  C      -3.447383      6.496065      2.874536
  C      -4.841472      6.876092      2.446896
  N      -5.363852      8.006645      2.931031
  C      -6.609574      8.335105      2.540591
  N      -7.408112      7.664444      1.742197
  C      -6.895828      6.498250      1.220330
  C      -7.694739      5.714067      0.356716
  C      -7.206502      4.558160     -0.189551
  C      -5.905525      4.140342      0.104630
  C      -5.103906      4.875485      0.944801
  C      -5.578310      6.066101      1.530008
  C      -6.558533      2.806208      7.402047
  C      -6.950047      4.210561      7.903697
  C      -8.410804      4.313318      8.367488
  C      -9.482297      4.154180      7.313831
  N      -9.136053      4.107953      6.017954
  C     -10.116598      3.938927      5.107615
  N     -11.407193      3.795751      5.325061
  C     -11.802435      3.872112      6.631797
  C     -13.161741      3.757435      6.932562
  C     -13.589383      3.841403      8.235523
  C     -12.669647      4.042516      9.271080
  C     -11.325110      4.155193      9.006392
  C     -10.856209      4.067914      7.683990
  H      -3.642646      1.849246      1.952264
  H      -5.110248      2.683639      2.515600
  H      -5.895614      0.632465      3.664427
  H      -4.434840     -0.241475      3.169738
  H      -6.424250     -0.732627      1.707544
  H      -6.511615      0.980804      1.240149
  H      -3.778449      1.584333     -2.224838
  H      -1.587169     -2.411871     -1.691525
  H      -1.750244     -4.304687     -0.036086
  H      -3.403535     -4.218733      1.838771
  H      -4.872243     -2.263324      2.088481
  H      -4.758864      6.642091      5.282449
  H      -3.425400      7.252293      6.289462
  H      -1.880975      7.037333      4.263088
  H      -3.174958      8.249884      4.127261
  H      -2.759125      6.748578      2.052103
  H      -3.390904      5.396392      2.975645
  H      -6.993745      9.279667      2.950460
  H      -8.694198      6.060474      0.136368
  H      -7.831404      3.965590     -0.853598
  H      -5.534722      3.207458     -0.317807
  H      -4.100710      4.543368      1.171539
  H      -6.782923      2.065899      8.199927
  H      -7.187473      2.542964      6.537629
  H      -6.300590      4.485029      8.755486
  H      -6.740832      4.946584      7.105204
  H      -8.599435      3.564044      9.168161
  H      -8.562394      5.297300      8.866681
  H      -9.785821      3.911124      4.066683
  H     -13.856427      3.607223      6.110831
  H     -14.644694      3.753782      8.459243
  H     -13.017443      4.110829     10.292146
  H     -10.626024      4.314916      9.820622
  N      -5.794418      4.260960      4.684488
  N      -6.951504      4.862155      4.406112
  H      -7.767049      4.657931      5.076523
  H      -7.175609      5.062607      3.382238
99
Coordinates from ORCA-job orca E -6259.114961210359
  N      -3.681016      2.264046      4.036134
  Mo     -4.346147      3.527982      5.406391
  N      -5.158872      2.678071      6.991829
  C      -4.288191      2.167717      8.042845
  C      -2.992893      1.680360      7.416335
  N      -2.502460      2.694385      6.453476
  C      -1.657193      2.112660      5.383650
  C      -2.537529      1.417640      4.363391
  C      -1.840914      3.836748      7.126368
  C      -1.956172      5.075674      6.255119
  N      -3.325144      5.203018      5.762962
  H      -1.943851      1.218172      3.463420
  H      -2.857862      0.437999      4.740636
  H      -1.135419      2.940859      4.898787
  H      -0.903498      1.434029      5.806297
  H      -1.684834      5.959003      6.860350
  H      -1.223043      5.037031      5.427333
  H      -2.370132      4.014542      8.069947
  H      -0.789994      3.592523      7.359375
  H      -4.768475      1.320607      8.564920
  H      -4.086645      2.934714      8.815206
  H      -3.195995      0.764530      6.850226
  H      -2.222822      1.457155      8.173155
  C      -4.355143      1.892952      2.797622
  C      -5.108863      0.565075      2.874978
  C      -5.789732      0.200786      1.538400
  C      -4.820634     -0.024921      0.416436
  N      -4.705812      0.942661     -0.477565
  C      -3.789330      0.757128     -1.456741
  N      -2.964188     -0.272649     -1.644134
  C      -3.079628     -1.281532     -0.749484
  C      -2.254672     -2.417753     -0.890608
  C      -2.359394     -3.457193     -0.008503
  C      -3.291149     -3.399635      1.041573
  C      -4.111950     -2.294975      1.206823
  C      -4.023986     -1.209570      0.322417
  C      -3.687546      6.566320      5.419868
  C      -2.982426      7.122289      4.180211
  C      -3.440805      6.459486      2.885937
  C      -4.838041      6.844353      2.463611
  N      -5.360388      7.984150      2.974759
  C      -6.627278      8.333566      2.596501
  N      -7.440552      7.659329      1.785553
  C      -6.930360      6.484346      1.239805
  C      -7.753274      5.708627      0.378585
  C      -7.278182      4.560284     -0.160649
  C      -5.957458      4.116563      0.123387
  C      -5.133254      4.851099      0.958266
  C      -5.596050      6.039910      1.542444
  C      -6.564637      2.800681      7.366739
  C      -6.942807      4.199402      7.855164
  C      -8.390629      4.317982      8.312789
  C      -9.467778      4.167489      7.269038
  N      -9.149997      4.117533      5.963365
  C     -10.157694      3.961740      5.064395
  N     -11.443353      3.836948      5.302641
  C     -11.813180      3.915208      6.629365
  C     -13.184250      3.818476      6.975368
  C     -13.587015      3.906465      8.312903
  C     -12.631009      4.094019      9.335543
  C     -11.275141      4.189936      9.022521
  C     -10.834943      4.097589      7.668829
  H      -3.613866      1.846660      1.978729
  H      -5.065645      2.689031      2.543956
  H      -5.875643      0.641008      3.662534
  H      -4.421664     -0.244391      3.168611
  H      -6.398295     -0.700481      1.689126
  H      -6.467643      1.010321      1.237551
  H      -3.722221      1.566743     -2.179620
  H      -1.546151     -2.444131     -1.716119
  H      -1.718908     -4.334704     -0.125266
  H      -3.369331     -4.232399      1.726937
  H      -4.837304     -2.263250      2.018622
  H      -4.771295      6.613162      5.271814
  H      -3.453558      7.218627      6.277458
  H      -1.898240      7.001727      4.282427
  H      -3.184085      8.196869      4.130034
  H      -2.753428      6.715400      2.063853
  H      -3.381257      5.365864      2.989456
  H      -7.009716      9.265584      3.030523
  H      -8.766783      6.066820      0.168783
  H      -7.919635      3.970407     -0.816567
  H      -5.591669      3.180736     -0.295284
  H      -4.114198      4.493586      1.177979
  H      -6.785895      2.065217      8.161834
  H      -7.189468      2.537298      6.501577
  H      -6.291435      4.468481      8.701716
  H      -6.730845      4.923908      7.056680
  H      -8.573615      3.578633      9.109232
  H      -8.533690      5.295153      8.800210
  H      -9.849761      3.933828      4.008086
  H     -13.907236      3.678518      6.164202
  H     -14.649439      3.832185      8.572635
  H     -12.957565      4.165591     10.383296
  H     -10.545991      4.340068      9.825281
  N      -5.804720      4.238485      4.648450
  N      -6.938382      4.811663      4.334679
  H      -7.771180      4.607748      4.961682
  H      -7.101082      4.961109      3.355619
99
Coordinates from ORCA-job orca E -6259.112898123052
  N      -3.695792      2.280830      4.012033
  Mo     -4.351211      3.537842      5.398711
  N      -5.163305      2.680526      6.987945
  C      -4.288446      2.160861      8.036152
  C      -2.994530      1.674683      7.395425
  N      -2.507279      2.699727      6.428636
  C      -1.664672      2.115693      5.345760
  C      -2.553597      1.424753      4.321267
  C      -1.836172      3.843570      7.104723
  C      -1.955641      5.083377      6.232529
  N      -3.328955      5.205424      5.750143
  H      -1.962258      1.227796      3.401543
  H      -2.884460      0.432025      4.697934
  H      -1.136594      2.959748      4.858091
  H      -0.902948      1.424661      5.769880
  H      -1.679001      5.972567      6.833432
  H      -1.225767      5.040202      5.397443
  H      -2.361087      4.015754      8.056942
  H      -0.785088      3.599328      7.328938
  H      -4.768489      1.310086      8.558352
  H      -4.080000      2.925184      8.818118
  H      -3.203809      0.758987      6.819148
  H      -2.216432      1.443310      8.148211
  C      -4.363608      1.912520      2.774783
  C      -5.115518      0.578630      2.843295
  C      -5.783336      0.210960      1.510491
  C      -4.799651     -0.021982      0.398991
  N      -4.651411      0.950440     -0.522016
  C      -3.723450      0.759681     -1.495813
  N      -2.919838     -0.282011     -1.655985
  C      -3.061616     -1.299120     -0.735497
  C      -2.249148     -2.450659     -0.846690
  C      -2.376389     -3.497343      0.058563
  C      -3.317585     -3.434602      1.100796
  C      -4.127125     -2.316005      1.239013
  C      -4.016517     -1.220576      0.332270
  C      -3.681373      6.565647      5.421359
  C      -2.983570      7.130093      4.181099
  C      -3.458917      6.479647      2.888021
  C      -4.858869      6.874579      2.484411
  N      -5.357681      7.984985      3.000495
  C      -6.616922      8.323275      2.642523
  N      -7.440251      7.664307      1.844051
  C      -6.948445      6.516876      1.295885
  C      -7.769605      5.736411      0.436314
  C      -7.276810      4.529148     -0.144578
  C      -5.966687      4.099342      0.109416
  C      -5.154521      4.860963      0.955182
  C      -5.621333      6.074125      1.570529
  C      -6.569635      2.801919      7.368336
  C      -6.943347      4.201744      7.868170
  C      -8.390846      4.321389      8.333769
  C      -9.463013      4.175766      7.289511
  N      -9.124376      4.133297      5.995179
  C     -10.126896      3.973937      5.098084
  N     -11.428964      3.837591      5.327864
  C     -11.810893      3.912442      6.636244
  C     -13.189779      3.804908      6.964819
  C     -13.604297      3.887576      8.283044
  C     -12.653754      4.080516      9.304457
  C     -11.292474      4.185179      9.009643
  C     -10.839271      4.098280      7.674292
  H      -3.615221      1.869834      1.957038
  H      -5.071838      2.706679      2.525376
  H      -5.881460      0.655154      3.628529
  H      -4.435395     -0.231606      3.133896
  H      -6.395891     -0.689615      1.652529
  H      -6.451864      1.023849      1.208147
  H      -3.626945      1.574292     -2.231769
  H      -1.537052     -2.480343     -1.665668
  H      -1.751078     -4.381298     -0.035971
  H      -3.414052     -4.271879      1.799971
  H      -4.854062     -2.284490      2.041241
  H      -4.774880      6.620068      5.275274
  H      -3.434138      7.203472      6.282204
  H      -1.893549      7.001423      4.272661
  H      -3.181704      8.202840      4.142066
  H      -2.774428      6.735723      2.059833
  H      -3.400272      5.386181      2.986803
  H      -6.992477      9.270086      3.068309
  H      -8.778815      6.097486      0.247318
  H      -7.909341      3.919968     -0.811017
  H      -5.606324      3.159937     -0.341769
  H      -4.151266      4.524279      1.150885
  H      -6.789744      2.067540      8.159395
  H      -7.199356      2.540433      6.508348
  H      -6.283238      4.462605      8.713374
  H      -6.738042      4.934843      7.076890
  H      -8.582684      3.579901      9.122581
  H      -8.527422      5.297442      8.829113
  H      -9.807972      3.943155      4.061537
  H     -13.906780      3.660929      6.156644
  H     -14.670155      3.805408      8.527740
  H     -12.988945      4.148100     10.334482
  H     -10.568981      4.338202      9.809924
  N      -5.798961      4.252864      4.653801
  N      -6.901455      4.815621      4.354364
  H      -7.719532      4.589965      4.984410
  H      -7.063898      4.974847      3.396857
99
Coordinates from ORCA-job orca E -6259.114206326072
  N      -3.702464      2.269854      4.029224
  Mo     -4.345692      3.526584      5.417237
  N      -5.149206      2.670981      7.008045
  C      -4.267428      2.150408      8.048128
  C      -2.977082      1.661810      7.401827
  N      -2.494565      2.681142      6.438689
  C      -1.664587      2.100338      5.352993
  C      -2.558956      1.411715      4.334881
  C      -1.823015      3.819119      7.110507
  C      -1.947532      5.061836      6.243451
  N      -3.321143      5.196625      5.765311
  H      -1.971950      1.213986      3.413678
  H      -2.882802      0.417270      4.712729
  H      -1.143456      2.936093      4.867056
  H      -0.904240      1.411797      5.766546
  H      -1.667553      5.943772      6.848304
  H      -1.223471      5.022315      5.406785
  H      -2.342911      3.993021      8.063107
  H      -0.768209      3.572313      7.331566
  H      -4.743609      1.303720      8.572469
  H      -4.054635      2.912997      8.824628
  H      -3.189564      0.746434      6.829252
  H      -2.198243      1.431340      8.151163
  C      -4.381776      1.905094      2.787901
  C      -5.136306      0.576573      2.864619
  C      -5.813003      0.212262      1.522687
  C      -4.824979     -0.017499      0.401594
  N      -4.682510      0.955947     -0.527269
  C      -3.757598      0.774168     -1.504573
  N      -2.948480     -0.253596     -1.667551
  C      -3.075160     -1.276255     -0.744846
  C      -2.241447     -2.427107     -0.860168
  C      -2.360024     -3.478892      0.054485
  C      -3.315078     -3.417004      1.105643
  C      -4.136547     -2.304086      1.245157
  C      -4.032287     -1.207727      0.330704
  C      -3.691376      6.581562      5.426808
  C      -2.989746      7.144085      4.170167
  C      -3.463053      6.476659      2.874735
  C      -4.865243      6.854886      2.452021
  N      -5.382184      7.955355      2.938262
  C      -6.638736      8.282026      2.556329
  N      -7.452879      7.634040      1.764514
  C      -6.944877      6.500190      1.244697
  C      -7.755964      5.735753      0.392283
  C      -7.251314      4.560238     -0.169603
  C      -5.930267      4.131368      0.107355
  C      -5.123049      4.866567      0.943363
  C      -5.608969      6.059624      1.539969
  C      -6.562088      2.803666      7.391300
  C      -6.939714      4.210558      7.893113
  C      -8.396392      4.323551      8.356913
  C      -9.465851      4.177606      7.299364
  N      -9.114298      4.141780      5.984692
  C     -10.097922      3.989251      5.069013
  N     -11.395568      3.851976      5.302444
  C     -11.791591      3.914997      6.629416
  C     -13.154675      3.801643      6.946304
  C     -13.581105      3.872693      8.270292
  C     -12.657588      4.059994      9.309806
  C     -11.310805      4.170984      9.029421
  C     -10.843637      4.095242      7.686098
  H      -3.639726      1.857497      1.971033
  H      -5.094242      2.699628      2.531072
  H      -5.906343      0.653929      3.651610
  H      -4.449861     -0.230519      3.162459
  H      -6.427028     -0.692732      1.674521
  H      -6.493992      1.025855      1.216556
  H      -3.675929      1.587295     -2.238625
  H      -1.518861     -2.458535     -1.685435
  H      -1.717657     -4.361433     -0.041806
  H      -3.404633     -4.254660      1.809580
  H      -4.873347     -2.270438      2.054764
  H      -4.780187      6.631410      5.287489
  H      -3.443862      7.238902      6.291936
  H      -1.892004      7.021031      4.264413
  H      -3.193084      8.231013      4.123506
  H      -2.773154      6.733231      2.045872
  H      -3.400430      5.378378      2.977655
  H      -7.023176      9.216990      2.966903
  H      -8.771043      6.092406      0.186367
  H      -7.882081      3.971263     -0.828948
  H      -5.555117      3.203807     -0.322261
  H      -4.110626      4.530533      1.154838
  H      -6.792351      2.063439      8.186922
  H      -7.187882      2.543711      6.525391
  H      -6.291448      4.476457      8.743766
  H      -6.724632      4.943909      7.097501
  H      -8.587630      3.573438      9.152229
  H      -8.544322      5.305310      8.860173
  H      -9.765364      3.971870      4.013576
  H     -13.851598      3.662556      6.121932
  H     -14.637429      3.785391      8.504626
  H     -13.004184      4.118067     10.345290
  H     -10.607150      4.319151      9.845255
  N      -5.805232      4.249128      4.686654
  N      -6.933253      4.829856      4.417319
  H      -7.737776      4.615446      5.081066
  H      -7.149433      5.028488      3.386789
99
Coordinates from ORCA-job orca E -6259.113047996374
  N      -3.693273      2.273901      4.030280
  Mo     -4.348398      3.538236      5.412808
  N      -5.154109      2.689373      7.003422
  C      -4.276025      2.168677      8.048864
  C      -2.986322      1.675949      7.413030
  N      -2.499560      2.692154      6.449876
  C      -1.661393      2.106106      5.377797
  C      -2.552445      1.417153      4.355606
  C      -1.826386      3.829170      7.121125
  C      -1.938801      5.069359      6.247891
  N      -3.315289      5.209473      5.762396
  H      -1.964358      1.216073      3.449054
  H      -2.880517      0.435747      4.734160
  H      -1.133363      2.934570      4.893562
  H      -0.911426      1.419491      5.799967
  H      -1.654637      5.951536      6.848880
  H      -1.210615      5.021035      5.413967
  H      -2.348043      4.009125      8.070027
  H      -0.771679      3.575584      7.345991
  H      -4.757226      1.319542      8.571147
  H      -4.064622      2.934038      8.824864
  H      -3.196939      0.761848      6.842538
  H      -2.211663      1.445242      8.164528
  C      -4.370672      1.906289      2.783222
  C      -5.130166      0.579472      2.865001
  C      -5.805782      0.207745      1.521477
  C      -4.830755     -0.032695      0.410587
  N      -4.700842      0.933357     -0.487673
  C      -3.785379      0.743933     -1.456134
  N      -2.975782     -0.286769     -1.632201
  C      -3.102690     -1.297673     -0.732100
  C      -2.286945     -2.440700     -0.858219
  C      -2.406941     -3.480412      0.035245
  C      -3.346549     -3.411702      1.078986
  C      -4.152591     -2.303563      1.225393
  C      -4.047826     -1.221352      0.331358
  C      -3.680240      6.591313      5.419724
  C      -2.974173      7.151211      4.170556
  C      -3.434369      6.495230      2.873691
  C      -4.834191      6.878423      2.446800
  N      -5.377039      8.013033      2.962271
  C      -6.642754      8.349676      2.583628
  N      -7.441616      7.674787      1.774018
  C      -6.913012      6.504574      1.219378
  C      -7.714190      5.718617      0.351382
  C      -7.219648      4.579193     -0.194477
  C      -5.892985      4.148466      0.086300
  C      -5.089675      4.888834      0.922878
  C      -5.573528      6.069444      1.517710
  C      -6.566045      2.817626      7.386111
  C      -6.949871      4.207421      7.877772
  C      -8.401146      4.314549      8.338608
  C      -9.476577      4.154636      7.296694
  N      -9.158422      4.110549      6.006382
  C     -10.155485      3.940091      5.110070
  N     -11.429116      3.796656      5.332378
  C     -11.801046      3.871017      6.641207
  C     -13.157658      3.756138      6.966698
  C     -13.562391      3.839118      8.282448
  C     -12.621749      4.038472      9.303691
  C     -11.279681      4.151398      9.012125
  C     -10.836380      4.065962      7.679599
  H      -3.625715      1.852556      1.964067
  H      -5.079097      2.705443      2.523002
  H      -5.902990      0.659752      3.648600
  H      -4.442899     -0.230051      3.167120
  H      -6.424946     -0.691936      1.675246
  H      -6.474283      1.024261      1.204918
  H      -3.706323      1.555571     -2.179656
  H      -1.572023     -2.475000     -1.679472
  H      -1.772618     -4.365426     -0.067969
  H      -3.438319     -4.241510      1.772992
  H      -4.884126     -2.262208      2.034020
  H      -4.765178      6.643572      5.276086
  H      -3.436528      7.243341      6.283716
  H      -1.888422      7.027574      4.270808
  H      -3.175438      8.229603      4.119824
  H      -2.741670      6.754351      2.049474
  H      -3.374976      5.397167      2.978118
  H      -7.030344      9.263045      3.019576
  H      -8.727320      6.060633      0.142379
  H      -7.843294      3.977398     -0.853630
  H      -5.506674      3.204423     -0.339265
  H      -4.061019      4.537075      1.143672
  H      -6.786201      2.087165      8.178017
  H      -7.193020      2.557150      6.528075
  H      -6.297841      4.476795      8.716839
  H      -6.746422      4.933009      7.083726
  H      -8.579503      3.571344      9.134541
  H      -8.551566      5.289187      8.826374
  H      -9.844784      3.912021      4.067564
  H     -13.871877      3.606450      6.156902
  H     -14.617255      3.751586      8.527377
  H     -12.951857      4.106149     10.336375
  H     -10.561167      4.310681      9.814834
  N      -5.810738      4.259560      4.670301
  N      -6.970787      4.855176      4.371287
  H      -7.798905      4.655781      5.018791
  H      -7.163343      5.027273      3.358029
99
Coordinates from ORCA-job orca E -6259.112728863299
  N      -3.675475      2.293359      4.017943
  Mo     -4.337857      3.548600      5.400673
  N      -5.152955      2.687948      6.984462
  C      -4.278779      2.174959      8.029243
  C      -2.985665      1.691157      7.398579
  N      -2.496925      2.709839      6.438650
  C      -1.651699      2.130109      5.364387
  C      -2.531037      1.438548      4.337172
  C      -1.831431      3.849974      7.116973
  C      -1.944851      5.092135      6.247637
  N      -3.316714      5.219167      5.756309
  H      -1.935393      1.244226      3.422804
  H      -2.856637      0.448136      4.712872
  H      -1.126738      2.966657      4.883953
  H      -0.898318      1.447233      5.787369
  H      -1.671900      5.976496      6.851920
  H      -1.210601      5.051217      5.418437
  H      -2.361121      4.021821      8.063418
  H      -0.781272      3.603635      7.347534
  H      -4.758960      1.326598      8.548156
  H      -4.076249      2.937272      8.804290
  H      -3.190727      0.778991      6.829073
  H      -2.214000      1.465457      8.151200
  C      -4.349973      1.934305      2.775148
  C      -5.119628      0.609339      2.842340
  C      -5.790887      0.253495      1.504999
  C      -4.811916      0.005693      0.399237
  N      -4.647494      0.962628     -0.512419
  C      -3.723546      0.748808     -1.477122
  N      -2.940068     -0.299295     -1.635680
  C      -3.104045     -1.297798     -0.722677
  C      -2.320486     -2.452584     -0.831744
  C      -2.473768     -3.481478      0.070362
  C      -3.417182     -3.392926      1.108389
  C      -4.196352     -2.269933      1.241932
  C      -4.057159     -1.195439      0.336937
  C      -3.675841      6.586189      5.418713
  C      -2.971585      7.147824      4.179298
  C      -3.425764      6.481988      2.881376
  C      -4.821149      6.847737      2.464502
  N      -5.346563      7.959364      2.987905
  C      -6.604704      8.272681      2.619360
  N      -7.408583      7.591478      1.803732
  C      -6.892200      6.444578      1.244876
  C      -7.698080      5.656060      0.371089
  C      -7.208332      4.518832     -0.190940
  C      -5.900427      4.122416      0.079986
  C      -5.092196      4.869597      0.930661
  C      -5.566102      6.038359      1.536918
  C      -6.559603      2.804401      7.363431
  C      -6.944330      4.204754      7.868685
  C      -8.394732      4.308245      8.333253
  C      -9.472438      4.156546      7.283268
  N      -9.143451      4.128169      5.967054
  C     -10.152163      3.973996      5.064220
  N     -11.452832      3.828393      5.307857
  C     -11.831834      3.882050      6.642307
  C     -13.216558      3.758423      6.993286
  C     -13.628677      3.819419      8.338437
  C     -12.669392      4.008022      9.365032
  C     -11.301372      4.129820      9.048212
  C     -10.850968      4.063409      7.686130
  H      -3.601064      1.887917      1.957980
  H      -5.052515      2.735397      2.525578
  H      -5.888345      0.691093      3.622160
  H      -4.448873     -0.208052      3.137570
  H      -6.418153     -0.636252      1.648197
  H      -6.446911      1.071191      1.196317
  H      -3.612789      1.551481     -2.214112
  H      -1.602131     -2.502506     -1.649043
  H      -1.865609     -4.373875     -0.021576
  H      -3.534894     -4.217384      1.808912
  H      -4.930947     -2.214317      2.044126
  H      -4.761318      6.633406      5.267713
  H      -3.438802      7.236556      6.280451
  H      -1.887152      7.032099      4.280033
  H      -3.178856      8.224491      4.134675
  H      -2.743494      6.745504      2.061056
  H      -3.354413      5.389263      2.980161
  H      -6.998686      9.203324      3.055544
  H      -8.706160      5.988093      0.168641
  H      -7.834034      3.917689     -0.861980
  H      -5.530396      3.210660     -0.361686
  H      -4.081827      4.548608      1.137965
  H      -6.775780      2.058849      8.156204
  H      -7.188187      2.543427      6.494271
  H      -6.286812      4.471889      8.721798
  H      -6.743560      4.944786      7.073445
  H      -8.574133      3.555176      9.124250
  H      -8.544410      5.285747      8.835271
  H      -9.835006      3.959546      4.004524
  H     -13.941562      3.618174      6.179943
  H     -14.700250      3.723355      8.601564
  H     -13.003536      4.058463     10.417613
  H     -10.570936      4.279276      9.853790
  N      -5.792439      4.266541      4.650167
  N      -6.923198      4.842230      4.334443
  H      -7.759518      4.625338      4.956175
  H      -7.078086      5.006423      3.373477
99
Coordinates from ORCA-job orca E -6259.113831333305
  N      -3.695401      2.281705      4.016573
  Mo     -4.348430      3.531478      5.402163
  N      -5.154080      2.673013      6.989166
  C      -4.280055      2.154036      8.033096
  C      -2.985889      1.671275      7.391456
  N      -2.501184      2.693449      6.427777
  C      -1.663831      2.111706      5.344459
  C      -2.553933      1.423167      4.324188
  C      -1.833034      3.834523      7.101876
  C      -1.956762      5.075465      6.233716
  N      -3.326635      5.200592      5.754795
  H      -1.960438      1.224808      3.406734
  H      -2.881619      0.430340      4.698806
  H      -1.139463      2.947935      4.858016
  H      -0.903647      1.422807      5.763158
  H      -1.681415      5.961198      6.838279
  H      -1.230796      5.038315      5.398425
  H      -2.357126      4.008246      8.052094
  H      -0.782134      3.590626      7.325998
  H      -4.756500      1.306817      8.553832
  H      -4.073194      2.915283      8.809664
  H      -3.193732      0.757344      6.817902
  H      -2.207890      1.442743      8.142151
  C      -4.365827      1.922727      2.777607
  C      -5.128046      0.598164      2.843797
  C      -5.791521      0.240860      1.500571
  C      -4.795145     -0.003908      0.393110
  N      -4.626589      0.968473     -0.532628
  C      -3.687267      0.767277     -1.501711
  N      -2.885086     -0.283751     -1.654608
  C      -3.042541     -1.301922     -0.733273
  C      -2.226781     -2.467908     -0.839675
  C      -2.372067     -3.516217      0.067360
  C      -3.335027     -3.440811      1.105205
  C      -4.146485     -2.309704      1.239276
  C      -4.016823     -1.212241      0.330216
  C      -3.690228      6.568971      5.424020
  C      -2.996061      7.133066      4.175926
  C      -3.472651      6.468150      2.885459
  C      -4.878021      6.848882      2.483802
  N      -5.388959      7.949985      2.997682
  C      -6.657710      8.285452      2.641500
  N      -7.482722      7.633940      1.848035
  C      -6.976406      6.498848      1.302307
  C      -7.800769      5.734245      0.450452
  C      -7.294372      4.538608     -0.136781
  C      -5.967223      4.105747      0.113458
  C      -5.148842      4.851237      0.949898
  C      -5.634031      6.055706      1.571546
  C      -6.561835      2.796974      7.369658
  C      -6.934483      4.203636      7.872344
  C      -8.385151      4.323762      8.340408
  C      -9.454815      4.180524      7.290351
  N      -9.106210      4.141405      5.984785
  C     -10.098601      3.990542      5.075804
  N     -11.403642      3.860683      5.309800
  C     -11.792817      3.927914      6.627984
  C     -13.162751      3.822634      6.945797
  C     -13.584238      3.898139      8.263909
  C     -12.649682      4.081794      9.297525
  C     -11.295969      4.184786      9.014659
  C     -10.834161      4.104642      7.676968
  H      -3.620925      1.875589      1.963815
  H      -5.069660      2.724090      2.523525
  H      -5.901742      0.679044      3.624869
  H      -4.451835     -0.215412      3.143147
  H      -6.417232     -0.654078      1.643337
  H      -6.454272      1.061985      1.190252
  H      -3.583894      1.579143     -2.236531
  H      -1.498185     -2.509164     -1.654455
  H      -1.745454     -4.407438     -0.024071
  H      -3.444070     -4.278681      1.803921
  H      -4.889239     -2.267602      2.038157
  H      -4.779895      6.618942      5.285638
  H      -3.443938      7.216740      6.285132
  H      -1.901905      7.011060      4.265704
  H      -3.199709      8.213593      4.130779
  H      -2.793731      6.727862      2.053715
  H      -3.406953      5.372386      2.986017
  H      -7.045485      9.230928      3.075822
  H      -8.823607      6.097726      0.267211
  H      -7.933515      3.945689     -0.793788
  H      -5.596813      3.176508     -0.328539
  H      -4.138272      4.516184      1.141534
  H      -6.789364      2.054941      8.163747
  H      -7.188327      2.537473      6.503531
  H      -6.279585      4.466939      8.720320
  H      -6.722239      4.936483      7.076075
  H      -8.578550      3.579858      9.132667
  H      -8.524500      5.304177      8.839135
  H      -9.773410      3.970318      4.028949
  H     -13.865610      3.686324      6.127375
  H     -14.642533      3.817247      8.498163
  H     -12.990859      4.143481     10.327061
  H     -10.585621      4.330377      9.824487
  N      -5.802495      4.244398      4.668421
  N      -6.896954      4.801128      4.390540
  H      -7.703702      4.576068      5.032200
  H      -7.079644      4.972221      3.402293
99
Coordinates from ORCA-job orca E -6259.113747555027
  N      -3.693655      2.287433      4.021910
  Mo     -4.347858      3.550312      5.414676
  N      -5.151864      2.692367      7.004633
  C      -4.266523      2.171624      8.050466
  C      -2.977878      1.674929      7.405081
  N      -2.494553      2.696463      6.441766
  C      -1.658976      2.116860      5.362681
  C      -2.552481      1.431185      4.337349
  C      -1.820607      3.832518      7.116273
  C      -1.936227      5.077722      6.247374
  N      -3.313125      5.220011      5.762678
  H      -1.970358      1.239531      3.425653
  H      -2.875703      0.446719      4.711241
  H      -1.131547      2.951844      4.878889
  H      -0.905368      1.426133      5.780865
  H      -1.652296      5.957732      6.853074
  H      -1.208972      5.034642      5.411190
  H      -2.340843      4.008360      8.069234
  H      -0.762925      3.578785      7.338467
  H      -4.748217      1.319753      8.573979
  H      -4.051198      2.938539      8.830972
  H      -3.193384      0.757513      6.831668
  H      -2.199813      1.441654      8.155991
  C      -4.371654      1.922976      2.774372
  C      -5.135183      0.597441      2.856084
  C      -5.806691      0.227032      1.511717
  C      -4.823150     -0.023856      0.405679
  N      -4.673384      0.949812     -0.505491
  C      -3.757191      0.750099     -1.469750
  N      -2.966007     -0.297548     -1.633429
  C      -3.109225     -1.318590     -0.723856
  C      -2.309073     -2.485696     -0.839785
  C      -2.447562     -3.532716      0.063988
  C      -3.384337     -3.449544      1.106343
  C      -4.174072     -2.320279      1.243170
  C      -4.052634     -1.230786      0.338498
  C      -3.678617      6.602990      5.423427
  C      -2.974884      7.165293      4.179860
  C      -3.438795      6.511913      2.882998
  C      -4.845367      6.877154      2.456981
  N      -5.393028      7.967069      2.969730
  C      -6.659822      8.276274      2.593321
  N      -7.454352      7.618916      1.787472
  C      -6.922948      6.496441      1.233913
  C      -7.716285      5.718648      0.359199
  C      -7.194761      4.571567     -0.220097
  C      -5.857727      4.167465      0.053616
  C      -5.070890      4.910168      0.907076
  C      -5.576701      6.079147      1.524870
  C      -6.566851      2.824948      7.384088
  C      -6.950978      4.213501      7.884875
  C      -8.405964      4.314356      8.340198
  C      -9.478418      4.160412      7.293536
  N      -9.153985      4.139228      6.000130
  C     -10.145341      3.985037      5.103589
  N     -11.418280      3.834632      5.325780
  C     -11.794700      3.880685      6.637707
  C     -13.147213      3.751605      6.964228
  C     -13.556491      3.804421      8.281772
  C     -12.624988      3.989208      9.304455
  C     -11.287516      4.116652      9.012604
  C     -10.839064      4.059904      7.677938
  H      -3.622065      1.867647      1.956833
  H      -5.078622      2.724160      2.514434
  H      -5.911321      0.680404      3.634673
  H      -4.451636     -0.214893      3.160825
  H      -6.431991     -0.669209      1.666002
  H      -6.472359      1.049049      1.188154
  H      -3.658709      1.564433     -2.194998
  H      -1.597164     -2.529981     -1.656839
  H      -1.829229     -4.429802     -0.032035
  H      -3.490396     -4.280693      1.806098
  H      -4.900448     -2.268065      2.047166
  H      -4.765199      6.653827      5.277350
  H      -3.432403      7.250737      6.289873
  H      -1.883522      7.047690      4.284305
  H      -3.177171      8.237563      4.132250
  H      -2.750261      6.779371      2.060341
  H      -3.370692      5.419264      2.980818
  H      -7.048639      9.162067      3.033534
  H      -8.733638      6.041079      0.155520
  H      -7.811534      3.970756     -0.893352
  H      -5.455229      3.241260     -0.394974
  H      -4.040477      4.585965      1.124171
  H      -6.789628      2.090692      8.169997
  H      -7.191805      2.573267      6.522842
  H      -6.302695      4.477151      8.728523
  H      -6.746764      4.943660      7.094823
  H      -8.581897      3.562189      9.129279
  H      -8.562138      5.283238      8.837244
  H      -9.827914      3.973425      4.059563
  H     -13.856648      3.613598      6.152349
  H     -14.611178      3.704787      8.529680
  H     -12.959940      4.033846     10.340370
  H     -10.575253      4.264483      9.817991
  N      -5.810682      4.278856      4.681740
  N      -6.974472      4.881908      4.404486
  H      -7.788444      4.671091      5.070844
  H      -7.191806      5.071277      3.380228
99
Coordinates from ORCA-job orca E -6259.113832325437
  N      -3.686051      2.291655      4.035542
  Mo     -4.339711      3.546752      5.415016
  N      -5.145044      2.689930      7.002072
  C      -4.266423      2.174301      8.043562
  C      -2.976440      1.688588      7.408205
  N      -2.491790      2.705649      6.444274
  C      -1.652065      2.122056      5.366083
  C      -2.543192      1.431609      4.346122
  C      -1.818961      3.844968      7.115319
  C      -1.934726      5.082496      6.242573
  N      -3.311256      5.214284      5.760263
  H      -1.953682      1.233949      3.429003
  H      -2.873648      0.439809      4.723494
  H      -1.127662      2.958724      4.879487
  H      -0.892922      1.435743      5.785518
  H      -1.656100      5.967000      6.841650
  H      -1.205977      5.035436      5.410124
  H      -2.341598      4.022623      8.063862
  H      -0.767362      3.595666      7.339730
  H      -4.746173      1.325764      8.565673
  H      -4.058999      2.938830      8.817646
  H      -3.184339      0.774066      6.839518
  H      -2.200771      1.462143      8.158383
  C      -4.363912      1.932656      2.792944
  C      -5.137631      0.617448      2.859935
  C      -5.807939      0.264643      1.513490
  C      -4.822773      0.003527      0.406507
  N      -4.643898      0.950338     -0.500926
  C      -3.711496      0.729758     -1.466392
  N      -2.934264     -0.311204     -1.630458
  C      -3.108365     -1.302727     -0.721736
  C      -2.319023     -2.457599     -0.834720
  C      -2.481002     -3.479821      0.067760
  C      -3.444085     -3.381083      1.108148
  C      -4.225731     -2.259912      1.242813
  C      -4.074444     -1.194511      0.339456
  C      -3.672690      6.592868      5.418063
  C      -2.967321      7.147524      4.154994
  C      -3.425726      6.476009      2.855669
  C      -4.829626      6.854205      2.442549
  N      -5.376038      7.982835      2.970006
  C      -6.643197      8.307931      2.610606
  N      -7.441105      7.626686      1.806867
  C      -6.905874      6.463579      1.241008
  C      -7.704173      5.679565      0.380503
  C      -7.204288      4.548029     -0.175941
  C      -5.883052      4.136415      0.082193
  C      -5.079741      4.873180      0.912521
  C      -5.566806      6.044095      1.519734
  C      -6.556021      2.811333      7.383738
  C      -6.946420      4.209060      7.886061
  C      -8.400953      4.306894      8.349542
  C      -9.473673      4.144682      7.294564
  N      -9.145776      4.111512      5.991142
  C     -10.145056      3.952403      5.080038
  N     -11.432254      3.803483      5.303130
  C     -11.809195      3.858766      6.623458
  C     -13.174956      3.731384      6.948690
  C     -13.582483      3.794620      8.276135
  C     -12.635771      3.989066      9.310598
  C     -11.286144      4.115303      9.019390
  C     -10.839852      4.046862      7.675627
  H      -3.623506      1.880388      1.974260
  H      -5.062913      2.736076      2.541882
  H      -5.909784      0.705281      3.642274
  H      -4.473233     -0.201133      3.157700
  H      -6.445991     -0.617180      1.655446
  H      -6.455609      1.087293      1.200125
  H      -3.595120      1.524755     -2.202028
  H      -1.585390     -2.514475     -1.654073
  H      -1.864379     -4.375658     -0.024941
  H      -3.568856     -4.199143      1.809795
  H      -4.971736     -2.198098      2.047958
  H      -4.762738      6.648999      5.280167
  H      -3.426708      7.249855      6.278909
  H      -1.875462      7.021513      4.247726
  H      -3.172301      8.239227      4.102391
  H      -2.737105      6.739013      2.019384
  H      -3.354672      5.369422      2.961748
  H      -7.052802      9.256624      3.049096
  H      -8.722587      6.023029      0.186199
  H      -7.826982      3.953967     -0.832042
  H      -5.502572      3.212823     -0.354122
  H      -4.059327      4.541683      1.111376
  H      -6.773715      2.069897      8.175123
  H      -7.180841      2.551173      6.516550
  H      -6.293758      4.481171      8.734952
  H      -6.748864      4.944714      7.092106
  H      -8.580698      3.556391      9.142190
  H      -8.557153      5.285686      8.847985
  H      -9.828776      3.937948      4.029113
  H     -13.891911      3.586020      6.129109
  H     -14.640966      3.694845      8.521083
  H     -12.968150      4.040240     10.350150
  H     -10.563364      4.269306      9.831868
  N      -5.800371      4.265761      4.677674
  N      -6.947532      4.851092      4.371990
  H      -7.778545      4.646678      5.004517
  H      -7.120401      5.017684      3.382558
99
Coordinates from ORCA-job orca E -6259.113625902548
  N      -3.686211      2.297632      3.996869
  Mo     -4.348237      3.541929      5.385180
  N      -5.163813      2.675419      6.966295
  C      -4.295945      2.158653      8.013054
  C      -3.000392      1.678777      7.378971
  N      -2.510299      2.699923      6.422839
  C      -1.667641      2.120697      5.346264
  C      -2.547534      1.435786      4.315143
  C      -1.848884      3.838986      7.105970
  C      -1.964308      5.086218      6.243179
  N      -3.329495      5.213465      5.751186
  H      -1.944525      1.239726      3.400976
  H      -2.876524      0.441937      4.684427
  H      -1.139590      2.951310      4.870090
  H      -0.918423      1.433230      5.769458
  H      -1.693536      5.968347      6.856081
  H      -1.231194      5.055182      5.412995
  H      -2.381246      4.008398      8.050991
  H      -0.801706      3.594905      7.338613
  H      -4.772735      1.311814      8.527888
  H      -4.095065      2.916489      8.789570
  H      -3.205049      0.769272      6.804924
  H      -2.227133      1.450398      8.131573
  C      -4.350839      1.947291      2.748624
  C      -5.123545      0.622595      2.810534
  C      -5.777408      0.262927      1.460726
  C      -4.776839      0.004029      0.374703
  N      -4.598814      0.970793     -0.539507
  C      -3.662708      0.754341     -1.488233
  N      -2.869839     -0.310045     -1.627387
  C      -3.042485     -1.320326     -0.712705
  C      -2.250231     -2.493269     -0.802813
  C      -2.413319     -3.534553      0.099010
  C      -3.370885     -3.444303      1.118080
  C      -4.160820     -2.304026      1.235503
  C      -4.014277     -1.213697      0.329227
  C      -3.690487      6.578088      5.424328
  C      -2.987048      7.147109      4.190226
  C      -3.452666      6.485454      2.898255
  C      -4.856384      6.851831      2.488769
  N      -5.379234      7.954568      3.018715
  C      -6.646996      8.273712      2.652478
  N      -7.461343      7.598644      1.832908
  C      -6.939695      6.459615      1.271255
  C      -7.749784      5.675455      0.396155
  C      -7.245367      4.526144     -0.187190
  C      -5.924883      4.121860      0.072850
  C      -5.112203      4.873877      0.929145
  C      -5.601959      6.048751      1.554610
  C      -6.566997      2.789944      7.348392
  C      -6.934966      4.191847      7.858087
  C      -8.379188      4.310883      8.336070
  C      -9.459344      4.174090      7.298418
  N      -9.121458      4.146703      5.979788
  C     -10.131472      4.000346      5.081383
  N     -11.447679      3.868996      5.341858
  C     -11.827208      3.924600      6.674842
  C     -13.211031      3.814016      7.021132
  C     -13.623909      3.876377      8.356372
  C     -12.667283      4.052650      9.379889
  C     -11.299442      4.160630      9.068737
  C     -10.846597      4.093290      7.712479
  H      -3.595249      1.897380      1.942071
  H      -5.047803      2.753494      2.486954
  H      -5.906910      0.707378      3.582332
  H      -4.448175     -0.196630      3.122804
  H      -6.410943     -0.629872      1.602950
  H      -6.430907      1.089913      1.135257
  H      -3.547184      1.567828     -2.220970
  H      -1.521233     -2.546430     -1.605112
  H      -1.802036     -4.436205      0.020498
  H      -3.493598     -4.280552      1.816190
  H      -4.906327     -2.248157      2.023240
  H      -4.775710      6.625419      5.274659
  H      -3.452034      7.221845      6.288288
  H      -1.899954      7.031870      4.289971
  H      -3.191059      8.222086      4.146874
  H      -2.774414      6.748828      2.079948
  H      -3.383346      5.397234      2.994744
  H      -7.045080      9.205889      3.096869
  H      -8.770342      6.013067      0.203026
  H      -7.874452      3.923308     -0.858843
  H      -5.546249      3.200133     -0.374248
  H      -4.095723      4.549015      1.128861
  H      -6.791242      2.041077      8.140349
  H      -7.196880      2.533842      6.482667
  H      -6.275232      4.450264      8.703372
  H      -6.725661      4.928021      7.062957
  H      -8.566873      3.561550      9.126516
  H      -8.512863      5.289035      8.840418
  H      -9.816593      3.988408      4.027096
  H     -13.927228      3.683565      6.211581
  H     -14.688418      3.790840      8.609745
  H     -13.000523      4.104251     10.420322
  H     -10.574969      4.300604      9.869121
  N      -5.798029      4.260345      4.638383
  N      -6.898810      4.823198      4.346649
  H      -7.717051      4.590110      4.977478
  H      -7.067247      4.993019      3.375753
99
Coordinates from ORCA-job orca E -6259.114441322364
  N      -3.689578      2.294646      4.024819
  Mo     -4.348365      3.554660      5.407263
  N      -5.149399      2.698653      6.998321
  C      -4.269156      2.172670      8.043174
  C      -2.978048      1.680724      7.399521
  N      -2.493295      2.703807      6.435661
  C      -1.657460      2.121042      5.356000
  C      -2.553261      1.438277      4.337839
  C      -1.816075      3.840937      7.105226
  C      -1.930835      5.076582      6.226908
  N      -3.307491      5.215287      5.747959
  H      -1.974616      1.243259      3.429807
  H      -2.881603      0.459830      4.710111
  H      -1.132519      2.954834      4.866969
  H      -0.900739      1.431288      5.770686
  H      -1.646664      5.961962      6.823733
  H      -1.204887      5.025678      5.391690
  H      -2.335625      4.023760      8.057242
  H      -0.758969      3.586688      7.327056
  H      -4.751320      1.320338      8.564405
  H      -4.055629      2.936933      8.824594
  H      -3.189728      0.764915      6.825105
  H      -2.202166      1.447823      8.152678
  C      -4.359475      1.937468      2.778762
  C      -5.133500      0.623069      2.841011
  C      -5.787036      0.270762      1.494911
  C      -4.790977      0.006747      0.394455
  N      -4.596190      0.977024     -0.531750
  C      -3.654246      0.761430     -1.492740
  N      -2.874247     -0.303080     -1.639611
  C      -3.064288     -1.317803     -0.718416
  C      -2.282507     -2.491294     -0.821357
  C      -2.465243     -3.531672      0.086727
  C      -3.431471     -3.436863      1.119936
  C      -4.205527     -2.300769      1.248574
  C      -4.039951     -1.213414      0.338455
  C      -3.667924      6.595008      5.400076
  C      -2.978955      7.144916      4.145038
  C      -3.455496      6.479014      2.860862
  C      -4.856784      6.848418      2.460241
  N      -5.376634      7.925428      2.980688
  C      -6.641756      8.240546      2.637234
  N      -7.461309      7.598375      1.851697
  C      -6.949915      6.486261      1.292448
  C      -7.767720      5.720932      0.439803
  C      -7.255380      4.542707     -0.159375
  C      -5.921172      4.122283      0.079744
  C      -5.111527      4.868494      0.913578
  C      -5.603984      6.055650      1.548353
  C      -6.564421      2.829973      7.379947
  C      -6.950533      4.220612      7.892550
  C      -8.405277      4.316424      8.353972
  C      -9.474471      4.168830      7.300516
  N      -9.135135      4.155912      6.006839
  C     -10.114687      4.017733      5.092046
  N     -11.396760      3.867265      5.305461
  C     -11.787063      3.897823      6.620279
  C     -13.148223      3.766459      6.934346
  C     -13.572277      3.805064      8.255300
  C     -12.650261      3.977262      9.292602
  C     -11.304435      4.108086      9.012003
  C     -10.840960      4.065751      7.674150
  H      -3.612807      1.880743      1.963759
  H      -5.054431      2.744853      2.525837
  H      -5.911227      0.712234      3.611237
  H      -4.471766     -0.192317      3.140686
  H      -6.430358     -0.608326      1.635909
  H      -6.430604      1.097214      1.173632
  H      -3.523884      1.568635     -2.227007
  H      -1.548742     -2.546078     -1.631754
  H      -1.863352     -4.427033     -0.003160
  H      -3.570797     -4.263045      1.820156
  H      -4.951983     -2.239891      2.045613
  H      -4.754558      6.651463      5.267013
  H      -3.414307      7.248027      6.258863
  H      -1.891851      7.023424      4.236348
  H      -3.181851      8.217744      4.089435
  H      -2.783125      6.739383      2.022890
  H      -3.386194      5.384003      2.969003
  H      -7.020598      9.134866      3.085737
  H      -8.788123      6.065949      0.265569
  H      -7.891569      3.949221     -0.814975
  H      -5.539848      3.203333     -0.369093
  H      -4.091327      4.538674      1.100208
  H      -6.788320      2.089711      8.163510
  H      -7.190772      2.579757      6.514227
  H      -6.297566      4.482889      8.739658
  H      -6.751822      4.958053      7.104360
  H      -8.579440      3.562144      9.138449
  H      -8.563355      5.282979      8.857158
  H      -9.791032      4.017301      4.047881
  H     -13.847736      3.639031      6.112167
  H     -14.629373      3.703211      8.491115
  H     -12.993842      4.009151     10.328975
  H     -10.602061      4.244464      9.827997
  N      -5.810556      4.269026      4.679226
  N      -6.942130      4.849007      4.414086
  H      -7.740761      4.639392      5.076180
  H      -7.155251      5.014092      3.420007
99
Coordinates from ORCA-job orca E -6259.114514969760
  N      -3.697783      2.305014      4.008384
  Mo     -4.347047      3.549977      5.411389
  N      -5.150208      2.677030      6.994246
  C      -4.266798      2.153217      8.034104
  C      -2.973774      1.671546      7.387715
  N      -2.494988      2.699110      6.427245
  C      -1.657445      2.125251      5.339595
  C      -2.550786      1.437694      4.309561
  C      -1.824798      3.835165      7.108097
  C      -1.947492      5.086628      6.251496
  N      -3.322440      5.220649      5.772702
  H      -1.957268      1.246278      3.380925
  H      -2.879435      0.433636      4.683448
  H      -1.131519      2.973291      4.856239
  H      -0.892995      1.432044      5.758007
  H      -1.669572      5.966536      6.864531
  H      -1.221329      5.053998      5.412530
  H      -2.346393      4.002415      8.061775
  H      -0.771312      3.585930      7.328419
  H      -4.743940      1.298426      8.552585
  H      -4.058072      2.914742      8.816676
  H      -3.181782      0.757785      6.810774
  H      -2.193500      1.439861      8.133882
  C      -4.375730      1.954640      2.760105
  C      -5.151239      0.631956      2.836102
  C      -5.817148      0.269122      1.488544
  C      -4.826047     -0.000956      0.396740
  N      -4.652417      0.951925     -0.509656
  C      -3.728347      0.727663     -1.458462
  N      -2.951152     -0.322164     -1.608412
  C      -3.111372     -1.323703     -0.699579
  C      -2.303962     -2.498177     -0.795488
  C      -2.447473     -3.530033      0.110542
  C      -3.405834     -3.423326      1.134942
  C      -4.207638     -2.283311      1.251322
  C      -4.070852     -1.210197      0.345218
  C      -3.685525      6.594669      5.451631
  C      -2.979726      7.160099      4.203659
  C      -3.432242      6.494086      2.895585
  C      -4.846760      6.856662      2.465569
  N      -5.414684      7.959203      2.990478
  C      -6.687931      8.266665      2.611662
  N      -7.471834      7.593395      1.794336
  C      -6.920079      6.463626      1.230417
  C      -7.704810      5.682892      0.349242
  C      -7.174119      4.553777     -0.226359
  C      -5.839690      4.168435      0.044024
  C      -5.056842      4.913168      0.900762
  C      -5.570048      6.060350      1.522420
  C      -6.561405      2.798625      7.372535
  C      -6.944363      4.195013      7.877736
  C      -8.396746      4.298881      8.343202
  C      -9.474613      4.145230      7.296542
  N      -9.157509      4.113116      5.996563
  C     -10.163612      3.957420      5.104659
  N     -11.442696      3.817344      5.332585
  C     -11.806156      3.875410      6.645602
  C     -13.160748      3.758584      6.976032
  C     -13.554101      3.826358      8.294876
  C     -12.603786      4.013752      9.316114
  C     -11.266003      4.127970      9.020947
  C     -10.833846      4.055567      7.685510
  H      -3.625679      1.904847      1.938055
  H      -5.083200      2.763345      2.500215
  H      -5.928850      0.721369      3.613770
  H      -4.476563     -0.190167      3.147086
  H      -6.455961     -0.617609      1.635587
  H      -6.467135      1.097562      1.161779
  H      -3.616280      1.525521     -2.188562
  H      -1.577236     -2.560430     -1.600552
  H      -1.816759     -4.437916      0.031453
  H      -3.516781     -4.245781      1.838538
  H      -4.945709     -2.216461      2.042606
  H      -4.774535      6.646865      5.312662
  H      -3.437773      7.242776      6.316944
  H      -1.880210      7.037033      4.305657
  H      -3.185801      8.245972      4.158803
  H      -2.738939      6.768167      2.070848
  H      -3.350126      5.394060      2.992448
  H      -7.111954      9.196094      3.048329
  H      -8.727477      6.004198      0.145435
  H      -7.783479      3.950590     -0.903722
  H      -5.435524      3.255267     -0.406149
  H      -4.029796      4.607858      1.109811
  H      -6.784404      2.053764      8.159586
  H      -7.182602      2.546821      6.504687
  H      -6.291633      4.460616      8.724126
  H      -6.741812      4.932981      7.084958
  H      -8.578542      3.546717      9.134742
  H      -8.544308      5.276542      8.843701
  H      -9.853160      3.945204      4.052215
  H     -13.883788      3.618395      6.164861
  H     -14.608612      3.736105      8.545537
  H     -12.925606      4.069833     10.351933
  H     -10.538414      4.277695      9.824665
  N      -5.810936      4.278999      4.684375
  N      -6.964602      4.870775      4.385618
  H      -7.798659      4.656178      5.026326
  H      -7.149860      5.060963      3.366084
99
Coordinates from ORCA-job orca E -6259.114448910741
  N      -3.676043      2.298794      4.019176
  Mo     -4.337074      3.548300      5.396434
  N      -5.151316      2.691193      6.977596
  C      -4.281190      2.178589      8.021415
  C      -2.991325      1.695167      7.394720
  N      -2.499401      2.707059      6.438573
  C      -1.661377      2.121952      5.366248
  C      -2.543697      1.442162      4.342541
  C      -1.831525      3.844198      7.115435
  C      -1.941551      5.084108      6.244119
  N      -3.312327      5.218443      5.751622
  H      -1.951439      1.245079      3.442433
  H      -2.874355      0.463008      4.710363
  H      -1.136336      2.941130      4.890619
  H      -0.918217      1.439871      5.783090
  H      -1.666986      5.964326      6.846474
  H      -1.209470      5.041467      5.419063
  H      -2.362807      4.020271      8.057898
  H      -0.783589      3.596481      7.348739
  H      -4.760544      1.337067      8.538357
  H      -4.078482      2.938304      8.791096
  H      -3.197926      0.783690      6.827023
  H      -2.220071      1.470904      8.148011
  C      -4.344655      1.948567      2.768574
  C      -5.128250      0.637533      2.823806
  C      -5.781758      0.283417      1.459435
  C      -4.777131      0.004476      0.372100
  N      -4.572237      0.958461     -0.542216
  C      -3.629737      0.728322     -1.492724
  N      -2.861948     -0.331947     -1.635112
  C      -3.066274     -1.329083     -0.719769
  C      -2.308300     -2.498225     -0.812761
  C      -2.509677     -3.525665      0.093114
  C      -3.474408     -3.421896      1.118159
  C      -4.225578     -2.287338      1.235416
  C      -4.043414     -1.212126      0.326384
  C      -3.672672      6.596270      5.411197
  C      -2.970949      7.161528      4.161401
  C      -3.439281      6.498744      2.871385
  C      -4.848597      6.859318      2.469340
  N      -5.405748      7.978454      3.012732
  C      -6.683801      8.284690      2.655849
  N      -7.479239      7.588847      1.839956
  C      -6.929174      6.441931      1.259283
  C      -7.719741      5.645640      0.387226
  C      -7.203424      4.531919     -0.190082
  C      -5.871518      4.138227      0.061166
  C      -5.070829      4.882499      0.905201
  C      -5.580797      6.046750      1.532621
  C      -6.559252      2.807945      7.361761
  C      -6.940307      4.205294      7.869093
  C      -8.389018      4.312123      8.343767
  C      -9.464784      4.163066      7.301517
  N      -9.129242      4.140306      5.990040
  C     -10.130825      3.988124      5.087827
  N     -11.433401      3.841710      5.335882
  C     -11.815831      3.885752      6.662814
  C     -13.191032      3.754124      7.000848
  C     -13.608688      3.803387      8.331057
  C     -12.663927      3.988415      9.357396
  C     -11.303909      4.118187      9.054436
  C     -10.845743      4.064115      7.704136
  H      -3.599898      1.890435      1.968985
  H      -5.026864      2.753561      2.509690
  H      -5.915629      0.729351      3.594994
  H      -4.465401     -0.184592      3.140412
  H      -6.433630     -0.595577      1.600232
  H      -6.419674      1.118279      1.121497
  H      -3.491737      1.534071     -2.230845
  H      -1.572911     -2.560085     -1.620324
  H      -1.923842     -4.430091      0.014694
  H      -3.627984     -4.247100      1.821591
  H      -4.978080     -2.220351      2.028525
  H      -4.762759      6.649704      5.268849
  H      -3.428922      7.247138      6.272896
  H      -1.883249      7.046096      4.252591
  H      -3.176235      8.239774      4.117144
  H      -2.761780      6.768875      2.044090
  H      -3.367733      5.405721      2.966714
  H      -7.094883      9.193228      3.111650
  H      -8.744625      5.964743      0.199981
  H      -7.821013      3.928218     -0.853807
  H      -5.471204      3.211073     -0.386483
  H      -4.038784      4.554578      1.101011
  H      -6.779622      2.060719      8.151352
  H      -7.188264      2.551180      6.495426
  H      -6.283792      4.470872      8.713048
  H      -6.739347      4.937451      7.075298
  H      -8.570673      3.561563      9.135290
  H      -8.535179      5.289404      8.845331
  H      -9.814836      3.983758      4.037907
  H     -13.900992      3.616918      6.188501
  H     -14.670991      3.700535      8.581439
  H     -13.003627      4.028652     10.396589
  H     -10.585788      4.263813      9.859194
  N      -5.792537      4.267243      4.654627
  N      -6.921966      4.846357      4.362752
  H      -7.739355      4.631595      5.005272
  H      -7.106517      5.024178      3.387612
99
Coordinates from ORCA-job orca E -6259.114370344778
  N      -3.703669      2.307973      3.997355
  Mo     -4.356964      3.557791      5.396297
  N      -5.155425      2.687643      6.986293
  C      -4.276209      2.155529      8.030704
  C      -2.983957      1.669458      7.376950
  N      -2.502740      2.699964      6.413863
  C      -1.668721      2.120917      5.326983
  C      -2.565977      1.437274      4.301092
  C      -1.826835      3.836576      7.088597
  C      -1.944477      5.079923      6.221132
  N      -3.318381      5.216556      5.744555
  H      -1.975747      1.241116      3.374040
  H      -2.898607      0.439690      4.674457
  H      -1.138879      2.963892      4.839628
  H      -0.910223      1.423303      5.746612
  H      -1.659484      5.964564      6.830274
  H      -1.219848      5.040721      5.378760
  H      -2.344955      4.013195      8.042585
  H      -0.772538      3.584440      7.308147
  H      -4.752947      1.295853      8.548576
  H      -4.062664      2.916375      8.820190
  H      -3.196795      0.757061      6.795728
  H      -2.202914      1.430660      8.127104
  C      -4.369401      1.963266      2.750751
  C      -5.147451      0.644495      2.809491
  C      -5.788617      0.290106      1.467210
  C      -4.784499      0.017709      0.386787
  N      -4.583232      0.977163     -0.530962
  C      -3.624819      0.743147     -1.473628
  N      -2.832826     -0.332368     -1.603333
  C      -3.035361     -1.332104     -0.688275
  C      -2.248582     -2.508786     -0.772146
  C      -2.437448     -3.538005      0.129826
  C      -3.419282     -3.427808      1.140587
  C      -4.203081     -2.284537      1.251593
  C      -4.030221     -1.207150      0.346172
  C      -3.681440      6.591582      5.408868
  C      -2.994155      7.151573      4.157577
  C      -3.466598      6.486258      2.873945
  C      -4.863824      6.847260      2.477346
  N      -5.381430      7.920392      3.014633
  C      -6.639817      8.231007      2.670012
  N      -7.453973      7.578844      1.865155
  C      -6.935180      6.459960      1.292955
  C      -7.742183      5.686868      0.427635
  C      -7.228979      4.524990     -0.176885
  C      -5.910482      4.123375      0.060509
  C      -5.106377      4.875552      0.905503
  C      -5.600245      6.048611      1.550608
  C      -6.564816      2.814590      7.368899
  C      -6.940002      4.204335      7.887814
  C      -8.388165      4.302881      8.357687
  C      -9.464762      4.169882      7.307170
  N      -9.125678      4.165908      5.997561
  C     -10.123639      4.035632      5.079497
  N     -11.427618      3.891981      5.311580
  C     -11.811904      3.918850      6.642354
  C     -13.188680      3.796471      6.969503
  C     -13.604902      3.832198      8.305141
  C     -12.660090      3.991756      9.346104
  C     -11.298944      4.112323      9.052625
  C     -10.843363      4.072922      7.698072
  H      -3.610137      1.909819      1.932743
  H      -5.065907      2.777032      2.496359
  H      -5.932183      0.736892      3.571989
  H      -4.486871     -0.173073      3.115303
  H      -6.432740     -0.589369      1.602002
  H      -6.424404      1.117560      1.147068
  H      -3.488410      1.544876     -2.206949
  H      -1.499669     -2.577288     -1.567891
  H      -1.828077     -4.440415      0.055182
  H      -3.561176     -4.250557      1.837195
  H      -4.965512     -2.212205      2.034208
  H      -4.765642      6.644897      5.275647
  H      -3.427939      7.239459      6.270409
  H      -1.909736      7.035190      4.249131
  H      -3.201154      8.226566      4.105137
  H      -2.798735      6.748027      2.041928
  H      -3.390631      5.393659      2.979505
  H      -7.029128      9.135452      3.124358
  H      -8.760440      6.026604      0.252036
  H      -7.857317      3.929325     -0.841059
  H      -5.533987      3.216791     -0.394797
  H      -4.095313      4.562673      1.087783
  H      -6.792840      2.069997      8.149022
  H      -7.192441      2.567809      6.504039
  H      -6.282130      4.458768      8.734322
  H      -6.739322      4.947558      7.104534
  H      -8.564067      3.546217      9.136797
  H      -8.537292      5.267733      8.869631
  H      -9.806998      4.040045      4.028084
  H     -13.899800      3.679347      6.146158
  H     -14.665938      3.738096      8.545637
  H     -12.995223      4.021942     10.389635
  H     -10.583202      4.239564      9.868230
  N      -5.818299      4.273760      4.667363
  N      -6.923866      4.837849      4.388744
  H      -7.733047      4.624134      5.035970
  H      -7.111874      4.988368      3.405709
99
Coordinates from ORCA-job orca E -6259.114365834228
  N      -3.674918      2.307194      4.010649
  Mo     -4.341902      3.548190      5.399827
  N      -5.152820      2.681164      6.979849
  C      -4.278740      2.163887      8.022654
  C      -2.980998      1.683281      7.389957
  N      -2.493854      2.707294      6.433712
  C      -1.648834      2.133765      5.355951
  C      -2.533826      1.452488      4.326260
  C      -1.831991      3.845546      7.114992
  C      -1.952295      5.091482      6.250922
  N      -3.322864      5.220706      5.762315
  H      -1.942991      1.263974      3.419610
  H      -2.858671      0.466718      4.692385
  H      -1.122556      2.974075      4.876709
  H      -0.889751      1.444642      5.771876
  H      -1.682825      5.973985      6.858050
  H      -1.219781      5.055525      5.420848
  H      -2.362911      4.015353      8.063237
  H      -0.778350      3.599657      7.344935
  H      -4.760226      1.314766      8.538815
  H      -4.076958      2.924111      8.800221
  H      -3.181774      0.769898      6.816911
  H      -2.210381      1.457717      8.142726
  C      -4.343756      1.959793      2.757749
  C      -5.128726      0.647126      2.817491
  C      -5.778520      0.301444      1.461012
  C      -4.775538      0.024469      0.376844
  N      -4.559095      0.989359     -0.542087
  C      -3.635105      0.760424     -1.486550
  N      -2.891528     -0.308608     -1.623408
  C      -3.088736     -1.321422     -0.704284
  C      -2.313832     -2.514419     -0.789124
  C      -2.497202     -3.554636      0.122701
  C      -3.458902     -3.441698      1.141651
  C      -4.229688     -2.285573      1.249645
  C      -4.052115     -1.202130      0.336631
  C      -3.686169      6.588425      5.435107
  C      -2.983438      7.146347      4.191879
  C      -3.437871      6.471206      2.888678
  C      -4.854489      6.823978      2.473351
  N      -5.403321      7.895890      2.999898
  C      -6.684148      8.198593      2.640575
  N      -7.494020      7.549809      1.837164
  C      -6.957077      6.450283      1.272037
  C      -7.768956      5.687955      0.401587
  C      -7.236360      4.540899     -0.201854
  C      -5.882558      4.144729      0.045290
  C      -5.079611      4.886846      0.898513
  C      -5.592594      6.038999      1.541038
  C      -6.562962      2.800888      7.357018
  C      -6.946563      4.198670      7.866538
  C      -8.397871      4.304738      8.335940
  C      -9.474599      4.155825      7.293629
  N      -9.156399      4.129820      5.998838
  C     -10.149155      3.982113      5.106569
  N     -11.421984      3.841596      5.333063
  C     -11.792352      3.890030      6.644906
  C     -13.148680      3.769960      6.978660
  C     -13.551498      3.829575      8.299230
  C     -12.610583      4.010652      9.316687
  C     -11.270296      4.127068      9.017336
  C     -10.830300      4.063968      7.681252
  H      -3.592701      1.904522      1.946242
  H      -5.038411      2.773374      2.496717
  H      -5.911090      0.738709      3.584533
  H      -4.469450     -0.177721      3.129304
  H      -6.432897     -0.573378      1.601071
  H      -6.410444      1.137717      1.125263
  H      -3.490362      1.564895     -2.219155
  H      -1.585119     -2.582087     -1.589048
  H      -1.896833     -4.468861      0.049249
  H      -3.600960     -4.268519      1.847152
  H      -4.969355     -2.211739      2.035641
  H      -4.773703      6.637985      5.291564
  H      -3.441818      7.237103      6.298637
  H      -1.887466      7.028413      4.296474
  H      -3.192621      8.225268      4.141092
  H      -2.753483      6.744488      2.055198
  H      -3.349946      5.371224      2.990353
  H      -7.104072      9.131636      3.084092
  H      -8.806049      6.020452      0.219693
  H      -7.865930      3.946411     -0.873517
  H      -5.482899      3.243157     -0.413815
  H      -4.042663      4.571794      1.089296
  H      -6.785079      2.053987      8.144406
  H      -7.186038      2.548933      6.486568
  H      -6.290252      4.463809      8.712529
  H      -6.744317      4.936752      7.070925
  H      -8.576804      3.551330      9.128366
  H      -8.543841      5.281106      8.837095
  H      -9.835633      3.975582      4.059980
  H     -13.864234      3.635284      6.170638
  H     -14.607551      3.737906      8.552205
  H     -12.937963      4.060615     10.352585
  H     -10.550444      4.271444      9.817959
  N      -5.803423      4.268115      4.668154
  N      -6.947831      4.851861      4.388562
  H      -7.760956      4.632062      5.036109
  H      -7.143011      5.042669      3.400291
99
Coordinates from ORCA-job orca E -6259.114723305470
  N      -3.701387      2.310391      4.011535
  Mo     -4.345540      3.555500      5.409001
  N      -5.148042      2.688523      6.992214
  C      -4.263687      2.166500      8.029955
  C      -2.976681      1.682731      7.385451
  N      -2.496624      2.702502      6.425041
  C      -1.667258      2.121532      5.338826
  C      -2.563774      1.443706      4.317075
  C      -1.819671      3.836000      7.100950
  C      -1.935908      5.082152      6.238396
  N      -3.312167      5.222645      5.760493
  H      -1.978356      1.248891      3.400711
  H      -2.895745      0.454304      4.687339
  H      -1.142499      2.951324      4.858369
  H      -0.915414      1.431640      5.751111
  H      -1.652444      5.958397      6.844480
  H      -1.213163      5.042539      5.403640
  H      -2.339818      4.008642      8.051390
  H      -0.768302      3.584228      7.322254
  H      -4.739803      1.317371      8.549190
  H      -4.051710      2.926920      8.806492
  H      -3.189420      0.770285      6.812800
  H      -2.195344      1.452442      8.129852
  C      -4.377146      1.966321      2.761842
  C      -5.159615      0.653405      2.823298
  C      -5.814145      0.285792      1.458750
  C      -4.807274     -0.006697      0.376727
  N      -4.614586      0.938317     -0.532406
  C      -3.664384      0.699602     -1.474772
  N      -2.876879     -0.359119     -1.614973
  C      -3.069801     -1.351560     -0.704035
  C      -2.288744     -2.527292     -0.793722
  C      -2.481163     -3.548706      0.112385
  C      -3.455786     -3.431780      1.131815
  C      -4.227471     -2.291146      1.242980
  C      -4.056420     -1.224505      0.334993
  C      -3.670189      6.603436      5.431732
  C      -2.971961      7.168254      4.178923
  C      -3.442625      6.511603      2.886381
  C      -4.858623      6.872013      2.473152
  N      -5.439676      7.985697      3.016547
  C      -6.716811      8.282113      2.650340
  N      -7.487821      7.585877      1.831302
  C      -6.924322      6.452667      1.247445
  C      -7.694138      5.651663      0.364522
  C      -7.158116      4.539401     -0.221479
  C      -5.825861      4.167326      0.037437
  C      -5.050658      4.920095      0.893035
  C      -5.574778      6.066614      1.526016
  C      -6.560194      2.810245      7.376738
  C      -6.943343      4.207415      7.890093
  C      -8.397104      4.309230      8.360840
  C      -9.472195      4.159492      7.311551
  N      -9.141345      4.141129      6.006848
  C     -10.142944      3.987506      5.108112
  N     -11.431185      3.837584      5.340289
  C     -11.805823      3.879249      6.656316
  C     -13.162460      3.746306      6.979024
  C     -13.569485      3.792737      8.296239
  C     -12.630591      3.976138      9.324643
  C     -11.290027      4.107618      9.037757
  C     -10.841747      4.056514      7.701402
  H      -3.634276      1.909498      1.951720
  H      -5.064994      2.775628      2.505697
  H      -5.948037      0.748966      3.594208
  H      -4.491939     -0.168134      3.142672
  H      -6.464530     -0.592506      1.601174
  H      -6.454715      1.121711      1.115581
  H      -3.533421      1.494893     -2.208451
  H      -1.549000     -2.597400     -1.595469
  H      -1.882277     -4.456017      0.037328
  H      -3.603564     -4.248567      1.835440
  H      -4.983651     -2.216687      2.030096
  H      -4.761805      6.663134      5.299528
  H      -3.415026      7.250400      6.292162
  H      -1.877122      7.046139      4.269172
  H      -3.172715      8.247946      4.135589
  H      -2.760408      6.785417      2.063018
  H      -3.368305      5.419067      2.980533
  H      -7.133301      9.166397      3.108188
  H      -8.712277      5.952936      0.171407
  H      -7.757181      3.925205     -0.897202
  H      -5.409991      3.242327     -0.418385
  H      -4.021506      4.615974      1.096389
  H      -6.783289      2.059913      8.162402
  H      -7.186096      2.560239      6.507659
  H      -6.288002      4.471476      8.738572
  H      -6.742885      4.946957      7.099206
  H      -8.580925      3.554466      9.148910
  H      -8.545814      5.286020      8.867198
  H      -9.826441      3.985394      4.054616
  H     -13.873339      3.609484      6.162583
  H     -14.624444      3.688616      8.539461
  H     -12.964412      4.014194     10.358347
  H     -10.572820      4.252836      9.847053
  N      -5.807277      4.281325      4.686294
  N      -6.958227      4.873850      4.402814
  H      -7.782001      4.668504      5.055353
  H      -7.156259      5.065383      3.381505
99
Coordinates from ORCA-job orca E -6259.114852565986
  N      -3.684180      2.309083      3.998711
  Mo     -4.350956      3.556580      5.390589
  N      -5.157136      2.687076      6.975725
  C      -4.284861      2.155308      8.022001
  C      -2.993646      1.669973      7.380434
  N      -2.503404      2.698713      6.424556
  C      -1.663494      2.118186      5.345045
  C      -2.550762      1.434874      4.310717
  C      -1.833548      3.836972      7.105316
  C      -1.944607      5.080446      6.236189
  N      -3.316629      5.217101      5.747610
  H      -1.950045      1.239522      3.387022
  H      -2.889718      0.433153      4.679860
  H      -1.129472      2.956659      4.865279
  H      -0.912534      1.422574      5.769053
  H      -1.665416      5.965277      6.845786
  H      -1.210985      5.040765      5.401147
  H      -2.360932      4.011937      8.054299
  H      -0.782144      3.586979      7.332939
  H      -4.764286      1.298379      8.535457
  H      -4.077111      2.914252      8.809921
  H      -3.203848      0.758260      6.797842
  H      -2.219323      1.431207      8.137162
  C      -4.343546      1.965834      2.744295
  C      -5.128693      0.647699      2.799616
  C      -5.765546      0.302535      1.453278
  C      -4.760699      0.028342      0.380213
  N      -4.538770      0.985790     -0.534186
  C      -3.595126      0.748037     -1.473538
  N      -2.837318     -0.326010     -1.600414
  C      -3.054609     -1.323192     -0.684401
  C      -2.294063     -2.499773     -0.760425
  C      -2.491860     -3.529695      0.145034
  C      -3.464394     -3.418134      1.152479
  C      -4.223392     -2.275012      1.254237
  C      -4.035097     -1.197902      0.345863
  C      -3.680733      6.599165      5.404221
  C      -2.986201      7.159583      4.143833
  C      -3.449266      6.483453      2.854756
  C      -4.851987      6.836424      2.460513
  N      -5.397869      7.934027      3.008980
  C      -6.668989      8.242651      2.663666
  N      -7.475402      7.572761      1.853892
  C      -6.930252      6.433909      1.271227
  C      -7.730288      5.659879      0.407671
  C      -7.212411      4.537825     -0.181070
  C      -5.880281      4.136221      0.053116
  C      -5.073631      4.870429      0.886944
  C      -5.581177      6.029055      1.528120
  C      -6.564940      2.815140      7.358633
  C      -6.939340      4.197975      7.871997
  C      -8.381276      4.294852      8.346594
  C      -9.461753      4.163421      7.303733
  N      -9.131546      4.161780      5.990652
  C     -10.142262      4.036579      5.079671
  N     -11.450686      3.893841      5.327344
  C     -11.825962      3.912873      6.662113
  C     -13.206886      3.785109      7.003467
  C     -13.616977      3.814400      8.343481
  C     -12.659901      3.973222      9.376202
  C     -11.293883      4.097762      9.068796
  C     -10.843875      4.064498      7.708713
  H      -3.576978      1.909371      1.938865
  H      -5.033378      2.777412      2.481810
  H      -5.918530      0.739013      3.558729
  H      -4.473996     -0.175800      3.114355
  H      -6.421442     -0.574031      1.590240
  H      -6.389556      1.136052      1.123616
  H      -3.443474      1.553306     -2.211496
  H      -1.549054     -2.568732     -1.555361
  H      -1.892226     -4.440825      0.079288
  H      -3.614105     -4.244065      1.854673
  H      -4.977193     -2.202069      2.036278
  H      -4.767623      6.652579      5.265774
  H      -3.433800      7.251924      6.270256
  H      -1.901967      7.047155      4.235344
  H      -3.199622      8.240576      4.089588
  H      -2.781023      6.748222      2.013570
  H      -3.366627      5.386085      2.961366
  H      -7.077487      9.154153      3.113446
  H      -8.759851      5.995458      0.231114
  H      -7.840381      3.954088     -0.837072
  H      -5.492600      3.232401     -0.398485
  H      -4.048479      4.552170      1.066954
  H      -6.792342      2.073957      8.136012
  H      -7.193985      2.569593      6.498740
  H      -6.282833      4.451830      8.708622
  H      -6.743057      4.933923      7.089986
  H      -8.551761      3.536565      9.126877
  H      -8.530469      5.256993      8.857134
  H      -9.835850      4.045809      4.027379
  H     -13.925373      3.669196      6.186944
  H     -14.680604      3.715991      8.594672
  H     -12.991747      3.998700     10.423152
  H     -10.569788      4.223898      9.877961
  N      -5.814662      4.273890      4.654647
  N      -6.933909      4.845215      4.367630
  H      -7.747678      4.631798      5.024184
  H      -7.129087      4.994277      3.408255
99
Coordinates from ORCA-job orca E -6259.114342290442
  N      -3.683716      2.315949      4.002910
  Mo     -4.348643      3.551426      5.394468
  N      -5.152763      2.681385      6.978436
  C      -4.279294      2.165212      8.021070
  C      -2.982112      1.687601      7.382164
  N      -2.498882      2.712058      6.424746
  C      -1.659217      2.140730      5.342409
  C      -2.546192      1.464446      4.315060
  C      -1.835986      3.847931      7.103869
  C      -1.958988      5.093233      6.240212
  N      -3.329776      5.222458      5.754400
  H      -1.962287      1.277393      3.410771
  H      -2.865732      0.484282      4.677418
  H      -1.137970      2.977812      4.863291
  H      -0.901462      1.451731      5.752645
  H      -1.687341      5.974860      6.849949
  H      -1.230186      5.060787      5.407335
  H      -2.363194      4.018257      8.052489
  H      -0.782375      3.602202      7.331930
  H      -4.756361      1.314538      8.538050
  H      -4.076217      2.924923      8.799778
  H      -3.182674      0.775953      6.809556
  H      -2.208543      1.462106      8.134104
  C      -4.350870      1.976046      2.749321
  C      -5.143269      0.669102      2.799804
  C      -5.784821      0.320136      1.432755
  C      -4.767015      0.025131      0.357891
  N      -4.529128      0.976976     -0.559040
  C      -3.574169      0.726914     -1.495222
  N      -2.821318     -0.355123     -1.622582
  C      -3.049845     -1.349307     -0.706612
  C      -2.284173     -2.540935     -0.784934
  C      -2.498611     -3.563714      0.120282
  C      -3.488859     -3.431823      1.128462
  C      -4.252691     -2.275041      1.232209
  C      -4.045623     -1.206825      0.324552
  C      -3.694608      6.589873      5.433235
  C      -2.999423      7.161277      4.201472
  C      -3.456053      6.499726      2.904045
  C      -4.866455      6.841364      2.494880
  N      -5.403504      7.883582      3.038895
  C      -6.673820      8.167055      2.682539
  N      -7.480530      7.512827      1.857848
  C      -6.941523      6.426021      1.276858
  C      -7.737433      5.643525      0.386965
  C      -7.197487      4.503623     -0.235182
  C      -5.860948      4.136037      0.010850
  C      -5.071122      4.900471      0.885485
  C      -5.593081      6.048763      1.546959
  C      -6.561403      2.798508      7.359604
  C      -6.940161      4.199443      7.875198
  C      -8.390989      4.306737      8.351284
  C      -9.471698      4.159058      7.313375
  N      -9.146155      4.131369      6.010457
  C     -10.141237      3.983038      5.110608
  N     -11.430201      3.844996      5.346847
  C     -11.807423      3.897495      6.669222
  C     -13.178813      3.783229      7.008907
  C     -13.589489      3.846621      8.341054
  C     -12.643621      4.024909      9.364195
  C     -11.287108      4.136074      9.058040
  C     -10.839500      4.070035      7.708837
  H      -3.597964      1.918657      1.939075
  H      -5.036097      2.793000      2.490135
  H      -5.934759      0.769217      3.563411
  H      -4.487508     -0.155558      3.115179
  H      -6.446636     -0.546017      1.564769
  H      -6.408243      1.159429      1.094675
  H      -3.412559      1.522852     -2.226054
  H      -1.532566     -2.624524     -1.577794
  H      -1.905136     -4.478160      0.051169
  H      -3.653579     -4.248555      1.827618
  H      -5.019829     -2.185455      2.011950
  H      -4.778425      6.635838      5.293231
  H      -3.446847      7.231120      6.296304
  H      -1.908550      7.050130      4.306945
  H      -3.211910      8.233840      4.158096
  H      -2.782083      6.779514      2.081507
  H      -3.363963      5.406780      2.997596
  H      -7.098395      9.094284      3.143887
  H      -8.768190      5.956215      0.205641
  H      -7.814195      3.892718     -0.921463
  H      -5.454180      3.236598     -0.461956
  H      -4.040407      4.601599      1.075086
  H      -6.784394      2.049050      8.147930
  H      -7.188737      2.544916      6.488202
  H      -6.276554      4.465308      8.721802
  H      -6.739911      4.938297      7.080483
  H      -8.569193      3.558574      9.141209
  H      -8.532942      5.282866      8.852192
  H      -9.827001      3.969417      4.065892
  H     -13.893724      3.650986      6.198429
  H     -14.650353      3.759904      8.593517
  H     -12.974366      4.077508     10.405244
  H     -10.567112      4.278607      9.860351
  N      -5.809959      4.263078      4.659875
  N      -6.925003      4.825906      4.376535
  H      -7.732459      4.602232      5.009131
  H      -7.104645      5.000069      3.380800
99
Coordinates from ORCA-job orca E -6259.114654095635
  N      -3.699579      2.316657      4.000773
  Mo     -4.354710      3.552783      5.401594
  N      -5.161164      2.679215      6.978771
  C      -4.278005      2.152818      8.013021
  C      -2.987029      1.673997      7.370513
  N      -2.504781      2.699415      6.416501
  C      -1.667358      2.124082      5.335528
  C      -2.559359      1.447841      4.309700
  C      -1.835011      3.834550      7.097806
  C      -1.951863      5.082058      6.238764
  N      -3.323701      5.219134      5.758643
  H      -1.966586      1.258670      3.394494
  H      -2.894686      0.455585      4.676188
  H      -1.137665      2.958145      4.859094
  H      -0.916453      1.433306      5.751286
  H      -1.674381      5.958783      6.845724
  H      -1.225822      5.044543      5.408015
  H      -2.359862      4.003242      8.047246
  H      -0.783126      3.585305      7.321062
  H      -4.755040      1.300746      8.525788
  H      -4.071004      2.908196      8.792145
  H      -3.195997      0.764364      6.792956
  H      -2.210360      1.441751      8.115074
  C      -4.366446      1.974932      2.751025
  C      -5.140885      0.658750      2.806797
  C      -5.785944      0.296606      1.452981
  C      -4.778219      0.010490      0.379337
  N      -4.580245      0.969632     -0.537265
  C      -3.638519      0.733785     -1.473843
  N      -2.859636     -0.335650     -1.602741
  C      -3.050537     -1.343539     -0.684843
  C      -2.270670     -2.533987     -0.763758
  C      -2.460763     -3.567811      0.148140
  C      -3.423864     -3.452743      1.161511
  C      -4.195236     -2.299261      1.262650
  C      -4.029519     -1.218697      0.348318
  C      -3.678968      6.593425      5.424571
  C      -2.980724      7.141662      4.165473
  C      -3.451034      6.471195      2.875836
  C      -4.865068      6.837754      2.468302
  N      -5.427691      7.940872      3.003279
  C      -6.702693      8.250391      2.650920
  N      -7.489810      7.581413      1.851812
  C      -6.948440      6.467598      1.275212
  C      -7.744269      5.697756      0.404781
  C      -7.214594      4.557064     -0.201126
  C      -5.875139      4.161026      0.041010
  C      -5.082598      4.900164      0.890067
  C      -5.594597      6.053418      1.535088
  C      -6.570795      2.800902      7.362705
  C      -6.952582      4.198128      7.885423
  C      -8.403495      4.299022      8.363781
  C      -9.479222      4.167277      7.311588
  N      -9.157133      4.166427      6.008212
  C     -10.151601      4.038739      5.108810
  N     -11.423581      3.896223      5.332170
  C     -11.790520      3.916089      6.648479
  C     -13.134609      3.786799      6.969492
  C     -13.532215      3.813190      8.287434
  C     -12.596814      3.972304      9.316239
  C     -11.270017      4.099718      9.030957
  C     -10.832682      4.068059      7.696328
  H      -3.618332      1.922909      1.944185
  H      -5.060746      2.786923      2.495873
  H      -5.922869      0.746926      3.569677
  H      -4.477784     -0.161919      3.121201
  H      -6.433081     -0.583741      1.594612
  H      -6.424062      1.131857      1.108342
  H      -3.502671      1.534565     -2.208573
  H      -1.541651     -2.602049     -1.558530
  H      -1.870392     -4.476526      0.079384
  H      -3.569136     -4.275836      1.868091
  H      -4.940106     -2.225735      2.043614
  H      -4.771469      6.657905      5.291540
  H      -3.423451      7.243032      6.282665
  H      -1.886064      7.014006      4.256303
  H      -3.178478      8.221610      4.109742
  H      -2.767525      6.736653      2.041430
  H      -3.378369      5.374260      2.981279
  H      -7.104915      9.137706      3.109064
  H      -8.767382      6.026712      0.227556
  H      -7.831761      3.959452     -0.871983
  H      -5.475706      3.247308     -0.417592
  H      -4.058150      4.585050      1.078203
  H      -6.794521      2.044928      8.146211
  H      -7.196158      2.556657      6.491374
  H      -6.293208      4.455294      8.735551
  H      -6.753821      4.947212      7.092877
  H      -8.585498      3.531084      9.148179
  H      -8.548496      5.273359      8.884377
  H      -9.837696      4.055282      4.049526
  H     -13.846000      3.669067      6.151389
  H     -14.580074      3.711746      8.531471
  H     -12.922586      3.994951     10.350861
  H     -10.553128      4.225934      9.842007
  N      -5.816251      4.274767      4.685561
  N      -6.967110      4.865413      4.421746
  H      -7.778829      4.664089      5.082700
  H      -7.180073      5.049551      3.411270
99
Coordinates from ORCA-job orca E -6259.114434448917
  N      -3.680930      2.312719      4.007128
  Mo     -4.337728      3.561931      5.401241
  N      -5.141583      2.693049      6.987527
  C      -4.263510      2.164705      8.034197
  C      -2.972403      1.677895      7.390998
  N      -2.487347      2.705125      6.430884
  C      -1.652117      2.123155      5.343908
  C      -2.546406      1.439648      4.312468
  C      -1.813061      3.841603      7.109097
  C      -1.926402      5.087176      6.240865
  N      -3.303105      5.225073      5.756782
  H      -1.954691      1.242578      3.387017
  H      -2.881232      0.440674      4.683092
  H      -1.121168      2.962148      4.860134
  H      -0.895988      1.426090      5.764299
  H      -1.643666      5.968949      6.850781
  H      -1.196946      5.049005      5.402210
  H      -2.336863      4.016123      8.060351
  H      -0.760557      3.590777      7.334648
  H      -4.742772      1.309321      8.552819
  H      -4.051913      2.927598      8.819737
  H      -3.183054      0.764127      6.811761
  H      -2.193527      1.442268      8.143784
  C      -4.351334      1.974048      2.749263
  C      -5.150318      0.663346      2.806422
  C      -5.794205      0.313575      1.442650
  C      -4.784727      0.018716      0.366895
  N      -4.552429      0.963514     -0.539836
  C      -3.604478      0.717992     -1.478472
  N      -2.851271     -0.348309     -1.614489
  C      -3.075943     -1.339017     -0.704653
  C      -2.308789     -2.520690     -0.786216
  C      -2.522201     -3.541692      0.118781
  C      -3.517530     -3.416114      1.128063
  C      -4.277085     -2.269384      1.232104
  C      -4.068957     -1.204706      0.326748
  C      -3.666302      6.602946      5.428814
  C      -2.974569      7.171978      4.181579
  C      -3.437284      6.504473      2.886415
  C      -4.855453      6.839301      2.475529
  N      -5.446608      7.926783      3.026801
  C      -6.733860      8.211711      2.658379
  N      -7.513269      7.529742      1.831129
  C      -6.930188      6.411067      1.245103
  C      -7.700996      5.620127      0.361400
  C      -7.148110      4.525115     -0.227339
  C      -5.798621      4.161061      0.026784
  C      -5.020920      4.907054      0.880627
  C      -5.563047      6.034152      1.521439
  C      -6.555245      2.824811      7.369126
  C      -6.932639      4.215092      7.874063
  C      -8.382486      4.317147      8.343949
  C      -9.467462      4.161922      7.307784
  N      -9.138517      4.133926      6.011150
  C     -10.154640      3.972587      5.122895
  N     -11.462616      3.822173      5.369414
  C     -11.836602      3.871780      6.681203
  C     -13.216814      3.738097      7.018945
  C     -13.626704      3.795734      8.335264
  C     -12.668733      3.989907      9.348955
  C     -11.303740      4.119833      9.046127
  C     -10.852970      4.058898      7.709399
  H      -3.594440      1.911454      1.939891
  H      -5.031956      2.788395      2.485993
  H      -5.947185      0.763692      3.571513
  H      -4.495789     -0.164102      3.126420
  H      -6.461724     -0.553325      1.577809
  H      -6.410638      1.153938      1.105205
  H      -3.449096      1.514950     -2.211102
  H      -1.548255     -2.599496     -1.582295
  H      -1.919027     -4.457070      0.051096
  H      -3.683374     -4.232696      1.830118
  H      -5.045360     -2.187324      2.014225
  H      -4.751993      6.651960      5.292481
  H      -3.415969      7.251404      6.293661
  H      -1.884117      7.066818      4.276438
  H      -3.189269      8.246226      4.139071
  H      -2.765564      6.784222      2.060057
  H      -3.344664      5.414764      2.979526
  H      -7.169384      9.096658      3.111217
  H      -8.735450      5.917409      0.169942
  H      -7.751874      3.922421     -0.899521
  H      -5.377893      3.266390     -0.428798
  H      -3.981339      4.617578      1.079864
  H      -6.784826      2.085976      8.149542
  H      -7.182873      2.575069      6.507125
  H      -6.274966      4.480162      8.711553
  H      -6.734779      4.945007      7.086910
  H      -8.557831      3.573891      9.132105
  H      -8.530486      5.287327      8.838993
  H      -9.844615      3.958043      4.080831
  H     -13.939112      3.593391      6.215317
  H     -14.695559      3.692367      8.587160
  H     -13.003234      4.037746     10.381624
  H     -10.576512      4.273742      9.843236
  N      -5.804310      4.285363      4.673689
  N      -6.949877      4.872125      4.382532
  H      -7.779338      4.651538      5.046695
  H      -7.155149      5.048262      3.388973
99
Coordinates from ORCA-job orca E -6259.114221300943
  N      -3.691133      2.316152      3.993200
  Mo     -4.356138      3.551982      5.389547
  N      -5.162563      2.678235      6.970728
  C      -4.291392      2.151897      8.014480
  C      -2.997814      1.672430      7.373959
  N      -2.510727      2.699940      6.420372
  C      -1.672663      2.127434      5.337170
  C      -2.560764      1.456282      4.304425
  C      -1.844010      3.834339      7.103982
  C      -1.959786      5.082029      6.241449
  N      -3.331494      5.218821      5.752444
  H      -1.973603      1.269476      3.396006
  H      -2.888381      0.470302      4.663877
  H      -1.145984      2.964447      4.862804
  H      -0.919835      1.432054      5.748154
  H      -1.684370      5.963288      6.855215
  H      -1.227825      5.048589      5.408075
  H      -2.372581      4.004678      8.052523
  H      -0.792014      3.585002      7.333123
  H      -4.770554      1.296701      8.526699
  H      -4.086339      2.909862      8.800978
  H      -3.203233      0.760795      6.794783
  H      -2.223539      1.438888      8.129344
  C      -4.349632      1.980035      2.736423
  C      -5.139831      0.671317      2.784916
  C      -5.765701      0.323046      1.419786
  C      -4.744261      0.026712      0.356794
  N      -4.503338      0.975340     -0.558974
  C      -3.548895      0.721620     -1.483869
  N      -2.801413     -0.361262     -1.597689
  C      -3.036771     -1.349457     -0.681321
  C      -2.286812     -2.534202     -0.745757
  C      -2.504919     -3.554559      0.159008
  C      -3.484589     -3.425018      1.154492
  C      -4.235001     -2.273520      1.245201
  C      -4.026624     -1.206417      0.336505
  C      -3.699597      6.603240      5.422147
  C      -3.001096      7.177297      4.168295
  C      -3.460376      6.509272      2.873144
  C      -4.867943      6.853788      2.479558
  N      -5.416370      7.927127      3.044676
  C      -6.686205      8.213267      2.703158
  N      -7.485941      7.534341      1.876441
  C      -6.934877      6.416271      1.275026
  C      -7.721493      5.621614      0.392869
  C      -7.189354      4.502996     -0.219464
  C      -5.861192      4.135032      0.009859
  C      -5.069031      4.893453      0.866721
  C      -5.589659      6.043176      1.530419
  C      -6.569071      2.798053      7.353020
  C      -6.942698      4.186133      7.877607
  C      -8.384993      4.288397      8.355334
  C      -9.464772      4.161379      7.313451
  N      -9.141421      4.158212      5.990778
  C     -10.142239      4.034930      5.074385
  N     -11.435891      3.897793      5.322333
  C     -11.808666      3.921968      6.667924
  C     -13.178552      3.803863      7.014989
  C     -13.584439      3.837973      8.369156
  C     -12.635427      3.991287      9.407853
  C     -11.279215      4.106790      9.094383
  C     -10.835253      4.069099      7.721510
  H      -3.587092      1.922975      1.932046
  H      -5.034821      2.797280      2.473034
  H      -5.939346      0.770690      3.538864
  H      -4.486728     -0.153343      3.110492
  H      -6.430114     -0.544077      1.552162
  H      -6.384819      1.163430      1.074452
  H      -3.379732      1.519534     -2.220521
  H      -1.537599     -2.616904     -1.531765
  H      -1.915092     -4.473403      0.101314
  H      -3.650903     -4.243792      1.855930
  H      -4.996987     -2.186143      2.017677
  H      -4.788136      6.655141      5.285988
  H      -3.450678      7.250620      6.291450
  H      -1.909929      7.065403      4.262662
  H      -3.216729      8.263208      4.122658
  H      -2.790366      6.785755      2.036389
  H      -3.369579      5.409336      2.971604
  H      -7.112262      9.139807      3.171192
  H      -8.747880      5.928774      0.219974
  H      -7.803308      3.895017     -0.892830
  H      -5.457870      3.228766     -0.463677
  H      -4.040205      4.590808      1.042924
  H      -6.794733      2.046326      8.131640
  H      -7.195999      2.555124      6.484931
  H      -6.284691      4.438227      8.719729
  H      -6.743614      4.927978      7.095355
  H      -8.559616      3.528213      9.135818
  H      -8.527635      5.254675      8.869303
  H      -9.836179      4.041788      4.017123
  H     -13.892199      3.691910      6.194028
  H     -14.639072      3.747395      8.623946
  H     -12.962677      4.020344     10.463953
  H     -10.558904      4.229312      9.906570
  N      -5.818788      4.269566      4.651556
  N      -6.930953      4.835047      4.361203
  H      -7.740960      4.622885      4.992151
  H      -7.105974      4.993027      3.393272
99
Coordinates from ORCA-job orca E -6259.114156845016
  N      -3.700695      2.320969      3.997552
  Mo     -4.359463      3.553787      5.389132
  N      -5.163173      2.681212      6.967906
  C      -4.283673      2.164489      8.000501
  C      -2.988983      1.689923      7.361158
  N      -2.508337      2.711769      6.406891
  C      -1.667932      2.139394      5.331210
  C      -2.552261      1.456418      4.307898
  C      -1.842998      3.846330      7.084831
  C      -1.963686      5.088819      6.224871
  N      -3.332579      5.221092      5.746191
  H      -1.954762      1.265232      3.390693
  H      -2.880295      0.462532      4.679686
  H      -1.143356      2.972268      4.854223
  H      -0.916724      1.457794      5.749454
  H      -1.688288      5.966659      6.828618
  H      -1.240048      5.050806      5.394811
  H      -2.367880      4.017068      8.031252
  H      -0.791759      3.599180      7.310163
  H      -4.758580      1.318445      8.514843
  H      -4.080183      2.918602      8.772111
  H      -3.191605      0.782996      6.788233
  H      -2.214731      1.464577      8.104091
  C      -4.368238      1.980048      2.749283
  C      -5.152033      0.665702      2.801157
  C      -5.796054      0.309388      1.447886
  C      -4.782661      0.023436      0.379893
  N      -4.564061      0.988857     -0.537180
  C      -3.606005      0.746980     -1.468500
  N      -2.826791     -0.337707     -1.588076
  C      -3.042421     -1.345427     -0.671632
  C      -2.268165     -2.537568     -0.745562
  C      -2.478306     -3.571647      0.159258
  C      -3.458675     -3.454254      1.160861
  C      -4.227863     -2.297953      1.260485
  C      -4.040458     -1.214564      0.352148
  C      -3.688467      6.586330      5.422979
  C      -2.992496      7.139845      4.181952
  C      -3.452040      6.473357      2.889402
  C      -4.857962      6.825468      2.484179
  N      -5.394949      7.880093      3.023516
  C      -6.660301      8.183675      2.677018
  N      -7.461339      7.541176      1.871567
  C      -6.930814      6.459747      1.290598
  C      -7.733984      5.709550      0.414466
  C      -7.205183      4.572418     -0.214176
  C      -5.867702      4.174128      0.019426
  C      -5.069801      4.905804      0.879364
  C      -5.584258      6.054390      1.544818
  C      -6.568385      2.800066      7.354077
  C      -6.943745      4.200819      7.871635
  C      -8.393463      4.310660      8.354550
  C      -9.474022      4.165462      7.311388
  N      -9.149392      4.147695      6.008491
  C     -10.144741      3.996458      5.114387
  N     -11.427390      3.849007      5.344453
  C     -11.799047      3.890995      6.660856
  C     -13.158606      3.761429      6.990819
  C     -13.560099      3.810862      8.312720
  C     -12.614428      3.992210      9.332612
  C     -11.273179      4.118834      9.037617
  C     -10.833880      4.065226      7.700538
  H      -3.620720      1.925887      1.938988
  H      -5.058017      2.796771      2.495692
  H      -5.932085      0.754752      3.561732
  H      -4.493068     -0.156318      3.109577
  H      -6.451026     -0.566780      1.582234
  H      -6.424838      1.146461      1.106731
  H      -3.452395      1.547506     -2.201334
  H      -1.525720     -2.608918     -1.530908
  H      -1.890940     -4.478638      0.091660
  H      -3.618847     -4.278248      1.859536
  H      -4.987473     -2.221411      2.033235
  H      -4.775179      6.643596      5.283060
  H      -3.435342      7.228602      6.280727
  H      -1.904682      7.023445      4.283843
  H      -3.195709      8.211210      4.130155
  H      -2.770494      6.746742      2.062985
  H      -3.369178      5.378982      2.987409
  H      -7.063743      9.076973      3.147713
  H      -8.763339      6.046529      0.245407
  H      -7.829086      3.988224     -0.889845
  H      -5.469000      3.269927     -0.448914
  H      -4.045290      4.587969      1.061286
  H      -6.789818      2.049903      8.142406
  H      -7.197086      2.548340      6.486715
  H      -6.273683      4.462078      8.716460
  H      -6.747046      4.946718      7.074935
  H      -8.575303      3.556772      9.147644
  H      -8.533308      5.291005      8.861864
  H      -9.826501      3.995303      4.062536
  H     -13.877484      3.626082      6.182213
  H     -14.615892      3.711024      8.561178
  H     -12.940861      4.033390     10.364952
  H     -10.549465      4.262350      9.838916
  N      -5.820593      4.264876      4.667625
  N      -6.944917      4.833438      4.403406
  H      -7.749900      4.608811      5.054352
  H      -7.141038      5.010000      3.405258
99
Coordinates from ORCA-job orca E -6259.114637995194
  N      -3.682689      2.318418      3.995114
  Mo     -4.340984      3.560536      5.406420
  N      -5.141829      2.682637      6.988505
  C      -4.261750      2.142991      8.034623
  C      -2.972151      1.657189      7.385306
  N      -2.488852      2.694203      6.429011
  C      -1.656410      2.117572      5.332521
  C      -2.556266      1.448827      4.296564
  C      -1.813240      3.830327      7.112926
  C      -1.927552      5.082823      6.248313
  N      -3.306258      5.222882      5.766689
  H      -1.974181      1.262869      3.382813
  H      -2.892746      0.458802      4.652223
  H      -1.124158      2.958828      4.851939
  H      -0.900277      1.412279      5.743808
  H      -1.645024      5.962371      6.862892
  H      -1.197667      5.050290      5.408260
  H      -2.336353      3.999885      8.069053
  H      -0.758830      3.579268      7.335506
  H      -4.740959      1.279267      8.548006
  H      -4.049309      2.903499      8.828482
  H      -3.184870      0.742965      6.799049
  H      -2.192476      1.415428      8.138764
  C      -4.349641      1.991162      2.733378
  C      -5.142273      0.685072      2.785275
  C      -5.773828      0.333403      1.421237
  C      -4.762531      0.025006      0.353444
  N      -4.523690      0.967356     -0.562792
  C      -3.581204      0.713874     -1.495156
  N      -2.836589     -0.359378     -1.619055
  C      -3.062692     -1.352793     -0.700013
  C      -2.295863     -2.551291     -0.767464
  C      -2.513122     -3.572590      0.148927
  C      -3.511549     -3.434239      1.153202
  C      -4.270626     -2.271901      1.242370
  C      -4.055220     -1.207383      0.326721
  C      -3.673415      6.604644      5.442994
  C      -2.986899      7.176012      4.184571
  C      -3.456988      6.508892      2.893727
  C      -4.886182      6.844935      2.487996
  N      -5.485345      7.922601      3.041484
  C      -6.783823      8.203597      2.677110
  N      -7.559664      7.519107      1.854504
  C      -6.972093      6.407886      1.265224
  C      -7.743244      5.600420      0.378755
  C      -7.173606      4.483539     -0.228671
  C      -5.814182      4.139835      0.021360
  C      -5.043300      4.910213      0.882425
  C      -5.594613      6.038323      1.534076
  C      -6.559615      2.815259      7.368589
  C      -6.940144      4.209414      7.888450
  C      -8.392831      4.308348      8.357512
  C      -9.467857      4.169596      7.309305
  N      -9.144740      4.154235      6.012845
  C     -10.145849      4.018497      5.114601
  N     -11.424901      3.878554      5.341584
  C     -11.795288      3.909297      6.654966
  C     -13.149844      3.780781      6.980058
  C     -13.557529      3.820317      8.298815
  C     -12.621781      3.991734      9.325354
  C     -11.281728      4.116669      9.035103
  C     -10.833375      4.073163      7.698046
  H      -3.594463      1.933492      1.928410
  H      -5.030959      2.806855      2.471994
  H      -5.941197      0.788301      3.542540
  H      -4.492885     -0.142603      3.114597
  H      -6.443694     -0.526243      1.557930
  H      -6.384113      1.176326      1.073882
  H      -3.424571      1.507201     -2.232143
  H      -1.537106     -2.638596     -1.557908
  H      -1.914902     -4.492388      0.091984
  H      -3.682712     -4.247741      1.863723
  H      -5.037951     -2.180962      2.018475
  H      -4.763884      6.658065      5.315655
  H      -3.422578      7.250664      6.310323
  H      -1.890394      7.067473      4.268085
  H      -3.202251      8.253957      4.141313
  H      -2.790873      6.791082      2.060527
  H      -3.361549      5.416730      2.988487
  H      -7.220302      9.077041      3.138180
  H      -8.783371      5.889326      0.194263
  H      -7.774464      3.861552     -0.907326
  H      -5.390796      3.255009     -0.440567
  H      -4.004212      4.642480      1.077487
  H      -6.795317      2.061186      8.145143
  H      -7.185075      2.576235      6.495422
  H      -6.288866      4.468395      8.736329
  H      -6.736324      4.950707      7.101076
  H      -8.572229      3.548028      9.142521
  H      -8.542557      5.279845      8.867107
  H      -9.837373      4.018224      4.066013
  H     -13.859029      3.653754      6.164126
  H     -14.613553      3.719439      8.545219
  H     -12.956031      4.025559     10.363147
  H     -10.567480      4.254333      9.844129
  N      -5.806928      4.290242      4.695398
  N      -6.962001      4.886824      4.423782
  H      -7.788789      4.672805      5.095572
  H      -7.189188      5.075786      3.414487
99
Coordinates from ORCA-job orca E -6259.114818282960
  N      -3.703738      2.309471      3.996259
  Mo     -4.359871      3.547793      5.387735
  N      -5.166660      2.682523      6.972391
  C      -4.290598      2.161118      8.011124
  C      -3.000509      1.677895      7.371730
  N      -2.514296      2.694561      6.415809
  C      -1.679666      2.115924      5.336326
  C      -2.569323      1.439100      4.309066
  C      -1.844193      3.828558      7.091042
  C      -1.958554      5.072021      6.227849
  N      -3.329343      5.211570      5.740664
  H      -1.975996      1.242161      3.391876
  H      -2.900576      0.447314      4.678932
  H      -1.152154      2.949015      4.860340
  H      -0.929279      1.422863      5.749937
  H      -1.680570      5.949744      6.837083
  H      -1.230791      5.034168      5.396693
  H      -2.369750      4.003354      8.036184
  H      -0.793463      3.578203      7.319225
  H      -4.769295      1.313823      8.528049
  H      -4.079717      2.918863      8.790277
  H      -3.209722      0.767553      6.800018
  H      -2.225009      1.447795      8.121756
  C      -4.362779      1.973744      2.740681
  C      -5.160404      0.663870      2.785333
  C      -5.780136      0.318141      1.410690
  C      -4.745073      0.023889      0.358119
  N      -4.503127      0.971106     -0.536444
  C      -3.535515      0.722240     -1.452685
  N      -2.779385     -0.348431     -1.577857
  C      -3.017683     -1.337496     -0.678770
  C      -2.262871     -2.517283     -0.750892
  C      -2.485605     -3.538522      0.142304
  C      -3.472660     -3.414586      1.133332
  C      -4.227260     -2.268318      1.227726
  C      -4.018290     -1.202088      0.331750
  C      -3.689927      6.590614      5.410770
  C      -2.994286      7.157090      4.163822
  C      -3.454485      6.494007      2.868581
  C      -4.862471      6.837227      2.461563
  N      -5.444315      7.925499      3.021777
  C      -6.712511      8.203382      2.665957
  N      -7.487406      7.522991      1.838327
  C      -6.915092      6.404408      1.242774
  C      -7.682916      5.623565      0.361917
  C      -7.141318      4.536966     -0.230647
  C      -5.807920      4.167531      0.010153
  C      -5.035064      4.907173      0.860697
  C      -5.566759      6.031966      1.508629
  C      -6.570987      2.809207      7.358944
  C      -6.940502      4.194589      7.878345
  C      -8.380188      4.299575      8.360889
  C      -9.472569      4.167775      7.332783
  N      -9.153722      4.163546      6.022538
  C     -10.169148      4.030034      5.130268
  N     -11.473545      3.885587      5.389781
  C     -11.838880      3.914783      6.718093
  C     -13.212728      3.791470      7.067786
  C     -13.611098      3.828922      8.397209
  C     -12.647734      3.991101      9.413658
  C     -11.287331      4.111178      9.098689
  C     -10.849536      4.070293      7.747654
  H      -3.597682      1.911375      1.938444
  H      -5.043026      2.792618      2.476440
  H      -5.968778      0.762684      3.535874
  H      -4.507527     -0.163944      3.113645
  H      -6.448523     -0.551350      1.535667
  H      -6.398572      1.162728      1.059198
  H      -3.362651      1.520858     -2.176504
  H      -1.508616     -2.593948     -1.532843
  H      -1.895019     -4.455559      0.081483
  H      -3.642022     -4.233995      1.827124
  H      -4.996206     -2.185760      1.996458
  H      -4.774997      6.645052      5.277290
  H      -3.432709      7.237527      6.272859
  H      -1.905203      7.041085      4.263405
  H      -3.203550      8.236150      4.117053
  H      -2.781125      6.768161      2.039251
  H      -3.366639      5.399736      2.969773
  H      -7.154622      9.123997      3.119549
  H      -8.705882      5.923807      0.178846
  H      -7.739187      3.938738     -0.902101
  H      -5.387639      3.259897     -0.456295
  H      -4.000763      4.599769      1.047953
  H      -6.793376      2.064472      8.138039
  H      -7.202143      2.566033      6.497623
  H      -6.276248      4.446642      8.715820
  H      -6.744530      4.931605      7.095863
  H      -8.549047      3.547380      9.140443
  H      -8.518344      5.260298      8.870222
  H      -9.864037      4.034845      4.076619
  H     -13.936541      3.672206      6.261726
  H     -14.672173      3.734479      8.655715
  H     -12.970955      4.022553     10.455758
  H     -10.557228      4.239777      9.897567
  N      -5.825730      4.267682      4.645598
  N      -6.966466      4.852075      4.356931
  H      -7.765563      4.669627      5.002081
  H      -7.152845      5.013270      3.379836
99
Coordinates from ORCA-job orca E -6259.114385300960
  N      -3.685371      2.331991      3.997033
  Mo     -4.352419      3.560054      5.393731
  N      -5.156699      2.680164      6.973623
  C      -4.282633      2.159417      8.011344
  C      -2.983605      1.687939      7.371602
  N      -2.500697      2.719041      6.417688
  C      -1.653059      2.150329      5.339892
  C      -2.537700      1.471231      4.308603
  C      -1.838292      3.855797      7.103111
  C      -1.958577      5.101794      6.241872
  N      -3.329742      5.230360      5.758411
  H      -1.939921      1.286806      3.390614
  H      -2.865747      0.474331      4.674622
  H      -1.124890      2.993053      4.864644
  H      -0.896167      1.460563      5.757766
  H      -1.685645      5.986298      6.848746
  H      -1.228404      5.065284      5.408669
  H      -2.367701      4.023197      8.051922
  H      -0.786144      3.608843      7.331081
  H      -4.760334      1.305116      8.522181
  H      -4.085114      2.915124      8.791517
  H      -3.181665      0.778280      6.792698
  H      -2.209810      1.460681      8.121219
  C      -4.351264      1.994259      2.740284
  C      -5.136424      0.679155      2.785279
  C      -5.775009      0.320421      1.421989
  C      -4.762371      0.022692      0.348942
  N      -4.531525      0.977494     -0.584824
  C      -3.576925      0.723721     -1.519635
  N      -2.812700     -0.366243     -1.626944
  C      -3.041787     -1.359461     -0.695997
  C      -2.286109     -2.545982     -0.759123
  C      -2.508437     -3.568448      0.154850
  C      -3.486600     -3.441707      1.157415
  C      -4.235861     -2.290204      1.249522
  C      -4.035864     -1.216867      0.331053
  C      -3.693183      6.601617      5.432228
  C      -2.990501      7.165065      4.187876
  C      -3.438491      6.481937      2.887278
  C      -4.855246      6.821882      2.491729
  N      -5.398307      7.879941      3.056089
  C      -6.675276      8.170534      2.722415
  N      -7.484345      7.501770      1.905718
  C      -6.945728      6.416505      1.300770
  C      -7.752145      5.643307      0.420822
  C      -7.219103      4.517571     -0.217592
  C      -5.876268      4.144409     -0.002653
  C      -5.067362      4.890297      0.858248
  C      -5.588304      6.033633      1.542835
  C      -6.561243      2.792332      7.359016
  C      -6.936084      4.188961      7.883980
  C      -8.387447      4.297649      8.365849
  C      -9.469339      4.162389      7.312587
  N      -9.138889      4.146206      5.993929
  C     -10.144173      4.013944      5.077876
  N     -11.447706      3.881248      5.313390
  C     -11.822352      3.916560      6.649767
  C     -13.199242      3.800201      6.984474
  C     -13.602705      3.844244      8.329023
  C     -12.644690      4.007031      9.368777
  C     -11.284875      4.122016      9.068033
  C     -10.843431      4.073479      7.706266
  H      -3.598162      1.943561      1.927847
  H      -5.037870      2.811048      2.486123
  H      -5.925491      0.771017      3.543514
  H      -4.479393     -0.138826      3.100466
  H      -6.436245     -0.550625      1.557517
  H      -6.398714      1.157381      1.075681
  H      -3.416115      1.520073     -2.266442
  H      -1.541704     -2.626068     -1.548806
  H      -1.928338     -4.479797      0.095201
  H      -3.654862     -4.260338      1.863308
  H      -4.993674     -2.207297      2.025182
  H      -4.783529      6.654509      5.286734
  H      -3.447944      7.247544      6.298096
  H      -1.896024      7.057698      4.292416
  H      -3.209907      8.245269      4.137466
  H      -2.758364      6.760157      2.050183
  H      -3.337666      5.378930      2.986665
  H      -7.081631      9.050926      3.209911
  H      -8.789356      5.958397      0.261300
  H      -7.848325      3.919678     -0.891903
  H      -5.476704      3.244523     -0.485262
  H      -4.032103      4.589727      1.025444
  H      -6.781871      2.041012      8.140200
  H      -7.187810      2.544799      6.490847
  H      -6.266711      4.446975      8.728188
  H      -6.743140      4.936715      7.094847
  H      -8.572895      3.539868      9.152532
  H      -8.525983      5.278962      8.879289
  H      -9.836177      4.012012      4.027058
  H     -13.922028      3.680445      6.163048
  H     -14.662728      3.754346      8.576517
  H     -12.969568      4.044114     10.414528
  H     -10.556206      4.252242      9.879977
  N      -5.814955      4.271506      4.676498
  N      -6.919515      4.825492      4.397314
  H      -7.751997      4.572301      5.037207
  H      -7.101106      4.987179      3.414199
99
Coordinates from ORCA-job orca E -6259.114913670432
  N      -3.695982      2.320085      3.987060
  Mo     -4.353792      3.558105      5.389444
  N      -5.159312      2.682960      6.966242
  C      -4.278899      2.150495      8.008976
  C      -2.989220      1.667653      7.364788
  N      -2.504860      2.696039      6.409998
  C      -1.675705      2.119886      5.321362
  C      -2.568239      1.449055      4.289813
  C      -1.832391      3.829497      7.091390
  C      -1.946648      5.078428      6.231199
  N      -3.319617      5.219781      5.747420
  H      -1.980730      1.259285      3.378366
  H      -2.903003      0.461452      4.649448
  H      -1.147534      2.949962      4.845335
  H      -0.929059      1.426541      5.732681
  H      -1.667221      5.952614      6.846293
  H      -1.218481      5.046693      5.397848
  H      -2.357073      4.000551      8.041785
  H      -0.781080      3.579400      7.317254
  H      -4.756670      1.295173      8.521705
  H      -4.066888      2.906917      8.794955
  H      -3.200427      0.756906      6.784208
  H      -2.212661      1.430886      8.115322
  C      -4.360799      1.997910      2.732726
  C      -5.158508      0.696297      2.779229
  C      -5.784563      0.352083      1.424256
  C      -4.769295      0.044770      0.373407
  N      -4.513546      0.993819     -0.539384
  C      -3.561842      0.732665     -1.457314
  N      -2.819599     -0.356245     -1.568078
  C      -3.061703     -1.352839     -0.652604
  C      -2.295139     -2.563949     -0.707905
  C      -2.523778     -3.587533      0.204706
  C      -3.530858     -3.440467      1.192365
  C      -4.293486     -2.266211      1.270132
  C      -4.066416     -1.197959      0.357364
  C      -3.683164      6.601338      5.422572
  C      -3.000020      7.170039      4.164563
  C      -3.469308      6.512446      2.882906
  C      -4.875985      6.846282      2.486200
  N      -5.441297      7.896139      3.037876
  C      -6.724614      8.188415      2.686797
  N      -7.510438      7.530886      1.868538
  C      -6.942520      6.437206      1.278254
  C      -7.718232      5.651308      0.390624
  C      -7.158281      4.525669     -0.238133
  C      -5.815092      4.167481      0.002622
  C      -5.039750      4.921869      0.871098
  C      -5.583382      6.059892      1.537078
  C      -6.572860      2.811809      7.347120
  C      -6.950317      4.204523      7.870593
  C      -8.395866      4.301966      8.347986
  C      -9.466097      4.163176      7.310366
  N      -9.142560      4.160581      6.015208
  C     -10.127533      4.017972      5.122958
  N     -11.393070      3.862681      5.351747
  C     -11.768464      3.885545      6.665530
  C     -13.118262      3.742183      6.999151
  C     -13.528978      3.771909      8.322399
  C     -12.602145      3.948247      9.339705
  C     -11.269083      4.087725      9.040449
  C     -10.819923      4.053271      7.702196
  H      -3.611128      1.939470      1.929064
  H      -5.040696      2.823165      2.479143
  H      -5.950367      0.797836      3.529917
  H      -4.516012     -0.136811      3.102707
  H      -6.457540     -0.507747      1.554362
  H      -6.386084      1.196096      1.079374
  H      -3.386234      1.525306     -2.188935
  H      -1.529064     -2.659143     -1.484357
  H      -1.927115     -4.513752      0.155896
  H      -3.710424     -4.254928      1.898511
  H      -5.068761     -2.166214      2.033593
  H      -4.770862      6.657094      5.297108
  H      -3.428272      7.246422      6.285456
  H      -1.915758      7.060521      4.246390
  H      -3.206654      8.242542      4.117742
  H      -2.807211      6.797532      2.055237
  H      -3.381718      5.427663      2.974062
  H      -7.151388      9.078372      3.157574
  H      -8.752445      5.958538      0.216553
  H      -7.761781      3.921253     -0.921471
  H      -5.399615      3.285400     -0.466525
  H      -4.013011      4.634755      1.058497
  H      -6.806009      2.052745      8.125384
  H      -7.198600      2.574569      6.473251
  H      -6.296863      4.459734      8.715783
  H      -6.745613      4.947646      7.081790
  H      -8.568694      3.538241      9.133592
  H      -8.545561      5.269586      8.860768
  H      -9.807457      4.033755      4.068171
  H     -13.822841      3.611194      6.191226
  H     -14.580840      3.659935      8.575186
  H     -12.937062      3.974036     10.376944
  H     -10.559814      4.227332      9.842055
  N      -5.812674      4.283350      4.666270
  N      -6.946243      4.869710      4.406472
  H      -7.744343      4.662107      5.074540
  H      -7.155445      5.056133      3.407495
99
Coordinates from ORCA-job orca E -6259.115102195154
  N      -3.699896      2.309908      3.994377
  Mo     -4.353612      3.547541      5.400403
  N      -5.150366      2.674823      6.986057
  C      -4.267926      2.144044      8.022352
  C      -2.979498      1.661202      7.371348
  N      -2.500758      2.689629      6.414729
  C      -1.666967      2.114203      5.323813
  C      -2.567589      1.441989      4.295820
  C      -1.826061      3.824151      7.093972
  C      -1.946557      5.074040      6.231451
  N      -3.324024      5.212738      5.757082
  H      -1.987550      1.251388      3.378725
  H      -2.900335      0.452545      4.658133
  H      -1.137738      2.956898      4.843819
  H      -0.907865      1.412001      5.733920
  H      -1.662315      5.954517      6.839463
  H      -1.224055      5.036179      5.390038
  H      -2.346352      3.993883      8.049070
  H      -0.770743      3.573344      7.313137
  H      -4.745579      1.288412      8.538867
  H      -4.054019      2.902905      8.808501
  H      -3.191230      0.748672      6.791758
  H      -2.196994      1.425209      8.118006
  C      -4.362699      1.970747      2.733995
  C      -5.149699      0.656410      2.787588
  C      -5.771472      0.298952      1.408233
  C      -4.735964      0.003857      0.345829
  N      -4.514241      0.952950     -0.555827
  C      -3.549626      0.715222     -1.480185
  N      -2.778552     -0.345831     -1.610474
  C      -2.998669     -1.342714     -0.705136
  C      -2.236036     -2.521215     -0.782733
  C      -2.451736     -3.546265      0.117291
  C      -3.431959     -3.430714      1.119633
  C      -4.191548     -2.285508      1.218134
  C      -3.994826     -1.216826      0.315390
  C      -3.687124      6.585190      5.437786
  C      -2.997010      7.153896      4.195627
  C      -3.462156      6.486684      2.894317
  C      -4.891576      6.825094      2.482466
  N      -5.493910      7.903338      3.044383
  C      -6.775533      8.166975      2.686567
  N      -7.546069      7.485938      1.863318
  C      -6.964073      6.385762      1.263563
  C      -7.737510      5.602462      0.379645
  C      -7.176651      4.507484     -0.225637
  C      -5.818037      4.150309      0.013086
  C      -5.048414      4.904333      0.866413
  C      -5.595482      6.019904      1.524574
  C      -6.561982      2.808202      7.374887
  C      -6.933663      4.200068      7.897062
  C      -8.383492      4.310462      8.373204
  C      -9.477406      4.182986      7.331126
  N      -9.162848      4.169847      6.025182
  C     -10.181363      4.046119      5.130449
  N     -11.477249      3.919562      5.371088
  C     -11.836262      3.954505      6.689268
  C     -13.196796      3.849460      7.017205
  C     -13.588865      3.893852      8.334046
  C     -12.630302      4.044657      9.359864
  C     -11.283698      4.147516      9.067765
  C     -10.850257      4.099997      7.729667
  H      -3.597207      1.912589      1.929486
  H      -5.048200      2.782224      2.463473
  H      -5.961144      0.755205      3.541980
  H      -4.486561     -0.165918      3.122569
  H      -6.434315     -0.570451      1.537894
  H      -6.398848      1.141431      1.050500
  H      -3.397253      1.515665     -2.207492
  H      -1.491555     -2.589505     -1.571549
  H      -1.864792     -4.454161      0.051587
  H      -3.597300     -4.249497      1.818956
  H      -4.956192     -2.210068      1.993358
  H      -4.774894      6.640114      5.306349
  H      -3.427587      7.225488      6.302275
  H      -1.896957      7.042515      4.296047
  H      -3.214924      8.229278      4.154531
  H      -2.788828      6.764331      2.065713
  H      -3.363697      5.391870      2.991534
  H      -7.224314      9.064437      3.147522
  H      -8.775668      5.897443      0.199457
  H      -7.777329      3.900460     -0.899002
  H      -5.388528      3.249633     -0.454565
  H      -4.005349      4.623418      1.052137
  H      -6.788683      2.063437      8.154788
  H      -7.193819      2.565728      6.511251
  H      -6.268629      4.453894      8.740348
  H      -6.736174      4.942316      7.113324
  H      -8.566983      3.557352      9.154473
  H      -8.518096      5.279384      8.883686
  H      -9.880217      4.038930      4.081625
  H     -13.921216      3.738324      6.201528
  H     -14.646557      3.812773      8.579662
  H     -12.951804      4.081808     10.397143
  H     -10.553372      4.269630      9.876051
  N      -5.829588      4.273283      4.687209
  N      -6.999756      4.872540      4.412635
  H      -7.816319      4.687849      5.079161
  H      -7.227029      5.047066      3.417876
99
Coordinates from ORCA-job orca E -6259.115282421818
  N      -3.693194      2.329246      3.993666
  Mo     -4.354686      3.560765      5.387389
  N      -5.166166      2.688284      6.967631
  C      -4.294911      2.168729      8.007824
  C      -2.999466      1.689928      7.373046
  N      -2.511055      2.710865      6.417500
  C      -1.668293      2.137017      5.341437
  C      -2.550721      1.462334      4.309287
  C      -1.844567      3.844215      7.100858
  C      -1.956353      5.090418      6.241015
  N      -3.325044      5.225800      5.750086
  H      -1.948931      1.274213      3.393438
  H      -2.877415      0.467353      4.677868
  H      -1.137752      2.971322      4.869845
  H      -0.918166      1.445946      5.757279
  H      -1.683455      5.969262      6.853737
  H      -1.222947      5.056683      5.412868
  H      -2.375709      4.015337      8.043443
  H      -0.795754      3.592889      7.333925
  H      -4.775547      1.321834      8.521439
  H      -4.092522      2.925540      8.783855
  H      -3.201792      0.780307      6.801916
  H      -2.226941      1.464393      8.123632
  C      -4.357100      2.004807      2.738331
  C      -5.160756      0.702250      2.769030
  C      -5.785676      0.362775      1.407927
  C      -4.768091      0.051550      0.356944
  N      -4.495775      0.995326     -0.556863
  C      -3.535245      0.724595     -1.470708
  N      -2.802558     -0.366331     -1.574344
  C      -3.065146     -1.349993     -0.658994
  C      -2.315634     -2.547981     -0.710007
  C      -2.559666     -3.564394      0.194703
  C      -3.566784     -3.417064      1.176133
  C      -4.311117     -2.254481      1.254204
  C      -4.075053     -1.190892      0.346553
  C      -3.683517      6.607883      5.420490
  C      -2.978855      7.171110      4.164164
  C      -3.426600      6.492849      2.865288
  C      -4.843772      6.836271      2.464624
  N      -5.423463      7.916017      3.029408
  C      -6.701543      8.197668      2.679013
  N      -7.480048      7.508300      1.851211
  C      -6.910894      6.408439      1.248738
  C      -7.682261      5.616337      0.362299
  C      -7.136362      4.527235     -0.255260
  C      -5.802010      4.179866     -0.024444
  C      -5.019423      4.922480      0.841440
  C      -5.554929      6.041308      1.507819
  C      -6.567043      2.802966      7.349273
  C      -6.936833      4.193206      7.874209
  C      -8.379738      4.293804      8.360935
  C      -9.463277      4.151698      7.324055
  N      -9.136807      4.146010      6.011950
  C     -10.147135      4.001333      5.111682
  N     -11.453700      3.847026      5.365465
  C     -11.825343      3.873171      6.697434
  C     -13.205649      3.731829      7.050452
  C     -13.609762      3.763702      8.390004
  C     -12.647647      3.939931      9.411335
  C     -11.281943      4.079289      9.091869
  C     -10.839918      4.042838      7.733058
  H      -3.606045      1.947664      1.929910
  H      -5.029106      2.829762      2.491384
  H      -5.950534      0.797305      3.516784
  H      -4.527147     -0.124637      3.080600
  H      -6.462871     -0.497150      1.533336
  H      -6.382483      1.209901      1.061051
  H      -3.341299      1.517311     -2.207408
  H      -1.546223     -2.643209     -1.484742
  H      -1.973222     -4.493281      0.148103
  H      -3.753688     -4.232746      1.876523
  H      -5.083511     -2.156661      2.015497
  H      -4.771484      6.664904      5.282069
  H      -3.432997      7.257886      6.284487
  H      -1.887083      7.053354      4.263479
  H      -3.188807      8.260695      4.109052
  H      -2.743870      6.771721      2.022417
  H      -3.330118      5.382544      2.971564
  H      -7.125673      9.068416      3.153015
  H      -8.708378      5.902347      0.189426
  H      -7.740785      3.922516     -0.935717
  H      -5.386232      3.292553     -0.504880
  H      -3.981421      4.625865      1.024558
  H      -6.789875      2.049364      8.126263
  H      -7.192866      2.563460      6.478905
  H      -6.269673      4.448157      8.714380
  H      -6.742932      4.935727      7.087876
  H      -8.547160      3.534531      9.144690
  H      -8.523738      5.263864      8.873480
  H      -9.843644      4.012828      4.064005
  H     -13.928120      3.601981      6.242967
  H     -14.673027      3.654853      8.651214
  H     -12.973200      3.967575     10.456997
  H     -10.553432      4.217939      9.891319
  N      -5.810714      4.278392      4.650109
  N      -6.922425      4.844720      4.357275
  H      -7.735182      4.617924      4.982735
  H      -7.085039      5.000914      3.371896
99
Coordinates from ORCA-job orca E -6259.115015936855
  N      -3.693931      2.329508      3.993141
  Mo     -4.360731      3.561564      5.388216
  N      -5.168850      2.679863      6.962639
  C      -4.291510      2.151698      8.005461
  C      -2.995924      1.677940      7.367585
  N      -2.507975      2.708794      6.415634
  C      -1.669619      2.133388      5.337140
  C      -2.557134      1.453955      4.301389
  C      -1.842416      3.845887      7.096157
  C      -1.957228      5.087996      6.230374
  N      -3.328902      5.224918      5.743937
  H      -1.956931      1.263114      3.379680
  H      -2.901228      0.454300      4.664328
  H      -1.137833      2.971010      4.859100
  H      -0.920547      1.442905      5.759884
  H      -1.681190      5.967518      6.834566
  H      -1.227554      5.047054      5.400678
  H      -2.371044      4.018265      8.044250
  H      -0.791238      3.598972      7.325255
  H      -4.769792      1.292044      8.514270
  H      -4.090204      2.907236      8.792733
  H      -3.197882      0.767608      6.784025
  H      -2.226264      1.444802      8.122883
  C      -4.354089      2.000205      2.732656
  C      -5.146819      0.685852      2.781420
  C      -5.769672      0.325386      1.405970
  C      -4.739035      0.018890      0.345990
  N      -4.496233      0.968761     -0.576556
  C      -3.536767      0.710327     -1.500956
  N      -2.779391     -0.379136     -1.608398
  C      -3.016735     -1.369657     -0.687015
  C      -2.263440     -2.560688     -0.747763
  C      -2.492487     -3.580444      0.162060
  C      -3.480714     -3.447248      1.155585
  C      -4.230278     -2.292183      1.241983
  C      -4.016692     -1.222949      0.329579
  C      -3.687909      6.601546      5.411629
  C      -3.002843      7.164798      4.162379
  C      -3.469489      6.503066      2.884158
  C      -4.865787      6.828229      2.491998
  N      -5.409251      7.872760      3.053150
  C      -6.689186      8.170920      2.715329
  N      -7.494763      7.516231      1.894127
  C      -6.941566      6.424995      1.293850
  C      -7.733630      5.651182      0.409462
  C      -7.186592      4.521294     -0.223825
  C      -5.843398      4.143911      0.000886
  C      -5.051837      4.894253      0.862589
  C      -5.585420      6.042755      1.541381
  C      -6.579846      2.797516      7.350153
  C      -6.956882      4.188653      7.882646
  C      -8.401949      4.292489      8.366988
  C      -9.478710      4.167955      7.325772
  N      -9.153818      4.164256      6.014781
  C     -10.147459      4.040021      5.108456
  N     -11.429746      3.903459      5.344175
  C     -11.802865      3.926704      6.676666
  C     -13.165221      3.804525      7.016957
  C     -13.570953      3.837048      8.359363
  C     -12.629276      3.994980      9.389673
  C     -11.284161      4.113851      9.083439
  C     -10.839997      4.075582      7.725002
  H      -3.588539      1.945608      1.927603
  H      -5.041973      2.823454      2.469022
  H      -5.958338      0.788272      3.536384
  H      -4.483302     -0.145116      3.120385
  H      -6.438836     -0.541190      1.539502
  H      -6.388049      1.167935      1.047851
  H      -3.369512      1.502771     -2.239041
  H      -1.510157     -2.646882     -1.530169
  H      -1.910114     -4.494724      0.106225
  H      -3.657202     -4.261875      1.859095
  H      -4.998642     -2.201971      2.009976
  H      -4.776063      6.656627      5.277413
  H      -3.435216      7.246069      6.273538
  H      -1.924772      7.063503      4.250711
  H      -3.212860      8.229107      4.114884
  H      -2.814918      6.785620      2.063491
  H      -3.379512      5.428960      2.973095
  H      -7.112512      9.079026      3.194492
  H      -8.772760      5.974365      0.243145
  H      -7.802699      3.923967     -0.900257
  H      -5.435608      3.246956     -0.473886
  H      -4.025642      4.598182      1.034315
  H      -6.806474      2.034893      8.126351
  H      -7.205404      2.560154      6.477958
  H      -6.297581      4.440461      8.725775
  H      -6.758004      4.937656      7.095603
  H      -8.584582      3.529995      9.149093
  H      -8.540005      5.263398      8.882137
  H      -9.831307      4.053883      4.042933
  H     -13.877833      3.688553      6.201691
  H     -14.623864      3.741905      8.613419
  H     -12.957414      4.023128     10.435307
  H     -10.566798      4.239344      9.891066
  N      -5.819433      4.279863      4.664122
  N      -6.938454      4.850401      4.394049
  H      -7.750768      4.614836      5.061972
  H      -7.136484      5.027140      3.418712
99
Coordinates from ORCA-job orca E -6259.115326451286
  N      -3.694765      2.310150      3.976006
  Mo     -4.351176      3.545606      5.392242
  N      -5.149943      2.667380      6.974498
  C      -4.268626      2.130818      8.013147
  C      -2.979468      1.645415      7.358896
  N      -2.504005      2.680547      6.404038
  C      -1.673800      2.110422      5.304232
  C      -2.573067      1.449214      4.273840
  C      -1.829598      3.812171      7.092363
  C      -1.948315      5.070968      6.239104
  N      -3.324571      5.212101      5.760529
  H      -2.003000      1.264092      3.370631
  H      -2.898466      0.471367      4.626494
  H      -1.147768      2.947091      4.832394
  H      -0.921121      1.407158      5.703584
  H      -1.663789      5.946520      6.864218
  H      -1.222721      5.046790      5.394951
  H      -2.351674      3.976556      8.049034
  H      -0.775723      3.561356      7.313879
  H      -4.747406      1.274494      8.527700
  H      -4.050522      2.888308      8.802605
  H      -3.192753      0.732608      6.775128
  H      -2.193590      1.405141      8.104113
  C      -4.356521      1.986281      2.717651
  C      -5.146641      0.683407      2.759609
  C      -5.765849      0.335343      1.393248
  C      -4.739515      0.033436      0.347925
  N      -4.497519      0.987178     -0.559429
  C      -3.528422      0.736800     -1.469512
  N      -2.762302     -0.345447     -1.575826
  C      -3.000612     -1.347763     -0.664825
  C      -2.234903     -2.549166     -0.718037
  C      -2.467716     -3.576790      0.191362
  C      -3.469362     -3.443012      1.174288
  C      -4.232865     -2.276236      1.249086
  C      -4.013162     -1.204247      0.337364
  C      -3.698810      6.588189      5.447094
  C      -3.012671      7.162749      4.193125
  C      -3.478013      6.491075      2.889793
  C      -4.910754      6.826783      2.489113
  N      -5.496158      7.871643      3.056817
  C      -6.774131      8.128133      2.712630
  N      -7.551822      7.464614      1.893820
  C      -6.978718      6.389847      1.284772
  C      -7.757374      5.614111      0.396711
  C      -7.193278      4.513904     -0.243866
  C      -5.832725      4.161170     -0.017436
  C      -5.060042      4.912276      0.848274
  C      -5.612441      6.030662      1.530032
  C      -6.564173      2.806310      7.356058
  C      -6.929427      4.198246      7.882660
  C      -8.377314      4.313447      8.362476
  C      -9.470662      4.189492      7.324400
  N      -9.156929      4.185483      6.026717
  C     -10.163554      4.058039      5.137025
  N     -11.444084      3.919068      5.369689
  C     -11.806997      3.947280      6.680540
  C     -13.161003      3.828343      7.007339
  C     -13.556460      3.865363      8.321708
  C     -12.607837      4.022939      9.340286
  C     -11.269614      4.138759      9.049246
  C     -10.834620      4.098159      7.717216
  H      -3.609182      1.930594      1.917612
  H      -5.034154      2.804919      2.460505
  H      -5.941819      0.778630      3.504949
  H      -4.501546     -0.141684      3.086282
  H      -6.434666     -0.528569      1.517736
  H      -6.372417      1.178868      1.039204
  H      -3.360252      1.535227     -2.200123
  H      -1.473875     -2.632510     -1.490712
  H      -1.877863     -4.495613      0.144041
  H      -3.649791     -4.261279      1.878634
  H      -5.012593     -2.186292      2.009407
  H      -4.789344      6.644676      5.322540
  H      -3.440644      7.231599      6.315215
  H      -1.905219      7.050360      4.285266
  H      -3.231920      8.246593      4.151807
  H      -2.803905      6.775732      2.052784
  H      -3.375303      5.389229      2.983883
  H      -7.215134      9.015088      3.191657
  H      -8.798760      5.909960      0.232140
  H      -7.797809      3.914032     -0.926022
  H      -5.407697      3.277494     -0.498537
  H      -4.019969      4.635692      1.025098
  H      -6.797676      2.058364      8.129990
  H      -7.196153      2.572840      6.489748
  H      -6.263460      4.443802      8.726207
  H      -6.726716      4.940887      7.102363
  H      -8.557167      3.554382      9.143759
  H      -8.509731      5.281756      8.880701
  H      -9.853329      4.062426      4.091950
  H     -13.882373      3.711858      6.196749
  H     -14.612425      3.773472      8.568588
  H     -12.932098      4.054321     10.373488
  H     -10.542525      4.265485      9.852528
  N      -5.823969      4.275756      4.681658
  N      -6.975348      4.870298      4.429135
  H      -7.781900      4.686969      5.089589
  H      -7.212870      5.057208      3.424432
99
Coordinates from ORCA-job orca E -6259.115332474220
  N      -3.713501      2.325394      4.004460
  Mo     -4.365449      3.556764      5.396766
  N      -5.162039      2.688174      6.980785
  C      -4.282101      2.172112      8.014965
  C      -2.992993      1.692969      7.373864
  N      -2.508161      2.707220      6.415066
  C      -1.672860      2.127945      5.336696
  C      -2.566134      1.449074      4.311076
  C      -1.835361      3.842124      7.085503
  C      -1.954209      5.081226      6.218194
  N      -3.327554      5.217240      5.741746
  H      -1.964504      1.257413      3.384533
  H      -2.900719      0.447790      4.684554
  H      -1.141122      2.963651      4.853254
  H      -0.915274      1.434436      5.755568
  H      -1.676474      5.962407      6.815479
  H      -1.230340      5.036768      5.387207
  H      -2.357743      4.019359      8.032047
  H      -0.782289      3.590325      7.308227
  H      -4.756191      1.326821      8.533978
  H      -4.075636      2.930182      8.786881
  H      -3.200405      0.783085      6.807081
  H      -2.217227      1.469123      8.121441
  C      -4.377753      1.990256      2.745416
  C      -5.172500      0.678888      2.787978
  C      -5.785693      0.334202      1.419056
  C      -4.751318      0.030862      0.365453
  N      -4.486732      0.975319     -0.533877
  C      -3.526739      0.722911     -1.452500
  N      -2.791692     -0.346844     -1.579803
  C      -3.043343     -1.336722     -0.676128
  C      -2.290157     -2.526884     -0.746486
  C      -2.526060     -3.548412      0.149696
  C      -3.526688     -3.416643      1.142418
  C      -4.276907     -2.260583      1.235757
  C      -4.048536     -1.195738      0.337844
  C      -3.671965      6.587854      5.416261
  C      -2.975771      7.145468      4.176968
  C      -3.433747      6.484064      2.882288
  C      -4.856862      6.831889      2.471858
  N      -5.463854      7.924005      3.031348
  C      -6.750586      8.205091      2.665232
  N      -7.515247      7.515178      1.834439
  C      -6.927046      6.407082      1.238740
  C      -7.688571      5.609243      0.348239
  C      -7.124589      4.519018     -0.254675
  C      -5.780414      4.182205     -0.010710
  C      -5.013358      4.933647      0.854420
  C      -5.560616      6.039920      1.510314
  C      -6.566392      2.808898      7.369903
  C      -6.943366      4.198946      7.891045
  C      -8.389145      4.294299      8.371464
  C      -9.470051      4.153119      7.330961
  N      -9.151199      4.141590      6.022233
  C     -10.163801      4.007449      5.126549
  N     -11.457172      3.870439      5.372648
  C     -11.819850      3.898214      6.697804
  C     -13.183247      3.773534      7.038746
  C     -13.581990      3.808661      8.367263
  C     -12.629667      3.971535      9.392136
  C     -11.279806      4.094423      9.085488
  C     -10.840348      4.055132      7.736357
  H      -3.608720      1.933423      1.933825
  H      -5.061021      2.806793      2.485225
  H      -5.980162      0.778021      3.536520
  H      -4.525859     -0.144218      3.111505
  H      -6.459832     -0.525831      1.542385
  H      -6.393842      1.178602      1.067812
  H      -3.342117      1.520480     -2.176296
  H      -1.528292     -2.608233     -1.528577
  H      -1.939950     -4.468906      0.089154
  H      -3.708673     -4.234264      1.838499
  H      -5.047252     -2.173116      2.004333
  H      -4.755598      6.644078      5.283229
  H      -3.409809      7.227808      6.271886
  H      -1.888241      7.027451      4.279451
  H      -3.180311      8.219510      4.129244
  H      -2.751105      6.762418      2.048897
  H      -3.343613      5.379356      2.985320
  H      -7.190644      9.075234      3.127601
  H      -8.718833      5.889960      0.163450
  H      -7.717733      3.903335     -0.934235
  H      -5.348511      3.291008     -0.481427
  H      -3.969248      4.646235      1.049601
  H      -6.789320      2.056581      8.150205
  H      -7.193997      2.566852      6.500119
  H      -6.278764      4.460723      8.732185
  H      -6.751837      4.940002      7.100831
  H      -8.561263      3.539943      9.156188
  H      -8.535623      5.263763      8.875657
  H      -9.868712      4.009526      4.076865
  H     -13.900953      3.653587      6.225655
  H     -14.638742      3.712005      8.621861
  H     -12.954765      4.001886     10.436911
  H     -10.556648      4.224170      9.891743
  N      -5.831700      4.273026      4.673871
  N      -6.979159      4.855045      4.378603
  H      -7.790067      4.646109      5.036930
  H      -7.160480      5.009227      3.380481
99
Coordinates from ORCA-job orca E -6259.115862380242
  N      -3.674526      2.327258      3.977033
  Mo     -4.346711      3.556785      5.382016
  N      -5.170436      2.669363      6.951233
  C      -4.301962      2.132528      7.997706
  C      -3.001336      1.659049      7.363039
  N      -2.510167      2.698282      6.415551
  C      -1.664479      2.128317      5.336409
  C      -2.543626      1.459220      4.295531
  C      -1.847694      3.831095      7.110607
  C      -1.952904      5.083501      6.253680
  N      -3.320640      5.222876      5.756459
  H      -1.946421      1.270314      3.383681
  H      -2.881179      0.468749      4.652841
  H      -1.133261      2.967461      4.872135
  H      -0.921708      1.434303      5.752506
  H      -1.678526      5.959831      6.871924
  H      -1.215899      5.051082      5.425025
  H      -2.385126      3.995057      8.055520
  H      -0.800505      3.581197      7.349378
  H      -4.787225      1.268797      8.498502
  H      -4.105155      2.884592      8.793211
  H      -3.199514      0.750709      6.773577
  H      -2.232644      1.421474      8.119508
  C      -4.334964      2.014244      2.717010
  C      -5.141201      0.710217      2.746826
  C      -5.761506      0.356555      1.369117
  C      -4.735142      0.038512      0.320360
  N      -4.486008      0.975778     -0.605923
  C      -3.517052      0.699787     -1.515423
  N      -2.757989     -0.392914     -1.602321
  C      -3.007095     -1.369684     -0.677220
  C      -2.257685     -2.560364     -0.718044
  C      -2.498413     -3.568781      0.194887
  C      -3.496549     -3.420741      1.174171
  C      -4.239103     -2.265549      1.241597
  C      -4.016865     -1.207418      0.324590
  C      -3.692213      6.612888      5.423038
  C      -3.001646      7.178554      4.153445
  C      -3.463119      6.493305      2.867612
  C      -4.867993      6.809036      2.481005
  N      -5.431694      7.868292      3.057112
  C      -6.714796      8.152904      2.725045
  N      -7.508178      7.476158      1.899501
  C      -6.942459      6.383252      1.287167
  C      -7.724978      5.604256      0.403784
  C      -7.178778      4.503793     -0.223461
  C      -5.838834      4.139612     -0.003959
  C      -5.050322      4.884048      0.852925
  C      -5.583884      6.014691      1.529071
  C      -6.577786      2.790215      7.333278
  C      -6.940552      4.184260      7.876494
  C      -8.383322      4.299097      8.367224
  C      -9.472427      4.180918      7.330196
  N      -9.149495      4.180792      6.016763
  C     -10.158668      4.052035      5.114450
  N     -11.463521      3.904186      5.367712
  C     -11.833551      3.930295      6.702192
  C     -13.215919      3.803950      7.056218
  C     -13.617011      3.839475      8.398266
  C     -12.651258      4.004772      9.418765
  C     -11.284966      4.127699      9.099290
  C     -10.846397      4.086293      7.738589
  H      -3.582237      1.959015      1.916391
  H      -5.005143      2.846203      2.465096
  H      -5.943778      0.809491      3.493193
  H      -4.495164     -0.121747      3.080741
  H      -6.436002     -0.507882      1.497598
  H      -6.367189      1.204031      1.005453
  H      -3.341073      1.484655     -2.262941
  H      -1.496140     -2.657242     -1.491636
  H      -1.917699     -4.489758      0.155630
  H      -3.680816     -4.229649      1.880822
  H      -5.011202     -2.167009      1.999180
  H      -4.784046      6.671299      5.286490
  H      -3.445529      7.268261      6.294019
  H      -1.916139      7.077333      4.239474
  H      -3.220607      8.261076      4.097345
  H      -2.814476      6.776108      2.033989
  H      -3.357969      5.411125      2.962321
  H      -7.145718      9.050412      3.204555
  H      -8.760324      5.911414      0.239649
  H      -7.790823      3.908549     -0.900256
  H      -5.432045      3.254659     -0.484125
  H      -4.022720      4.598460      1.017443
  H      -6.807249      2.022882      8.104189
  H      -7.204041      2.561572      6.457477
  H      -6.272965      4.425868      8.721965
  H      -6.738484      4.938822      7.094989
  H      -8.566047      3.533680      9.145247
  H      -8.511231      5.268943      8.891953
  H      -9.847994      4.069582      4.056353
  H     -13.942175      3.683198      6.249616
  H     -14.680980      3.742229      8.660499
  H     -12.974102      4.035489     10.462609
  H     -10.553136      4.258044      9.897595
  N      -5.803729      4.279834      4.654209
  N      -6.916216      4.849833      4.383458
  H      -7.737651      4.630922      5.021018
  H      -7.114645      5.028744      3.416993
99
Coordinates from ORCA-job orca E -6259.115823515184
  N      -3.715648      2.321086      3.993892
  Mo     -4.375049      3.554405      5.390223
  N      -5.166821      2.682061      6.977303
  C      -4.285541      2.159644      8.016815
  C      -2.997125      1.671992      7.369429
  N      -2.518455      2.696519      6.410515
  C      -1.685526      2.121182      5.321077
  C      -2.586217      1.446248      4.289765
  C      -1.846671      3.833904      7.087604
  C      -1.968093      5.079044      6.224663
  N      -3.343949      5.218422      5.746235
  H      -1.997497      1.255783      3.369401
  H      -2.924399      0.446862      4.651643
  H      -1.152578      2.960094      4.838538
  H      -0.928866      1.421580      5.735348
  H      -1.685151      5.959047      6.836181
  H      -1.243911      5.044040      5.385591
  H      -2.365869      4.009154      8.040170
  H      -0.792854      3.585888      7.308686
  H      -4.762106      1.310745      8.538738
  H      -4.067590      2.922641      8.794533
  H      -3.209592      0.756361      6.793415
  H      -2.216119      1.439577      8.118395
  C      -4.368956      1.988264      2.732316
  C      -5.150827      0.674504      2.776162
  C      -5.765398      0.323734      1.403315
  C      -4.729521      0.024287      0.354018
  N      -4.466846      0.986297     -0.553179
  C      -3.501605      0.738880     -1.470011
  N      -2.752580     -0.351364     -1.582145
  C      -3.004461     -1.357508     -0.672992
  C      -2.248179     -2.559368     -0.734974
  C      -2.487063     -3.591674      0.167940
  C      -3.490375     -3.462158      1.152407
  C      -4.247477     -2.297111      1.238046
  C      -4.016127     -1.217842      0.333815
  C      -3.709195      6.590196      5.426901
  C      -3.010212      7.163985      4.183550
  C      -3.463747      6.504237      2.884653
  C      -4.887401      6.848971      2.480936
  N      -5.449403      7.876938      3.048320
  C      -6.721972      8.141434      2.707611
  N      -7.511453      7.484991      1.883919
  C      -6.951080      6.415151      1.274627
  C      -7.735468      5.638673      0.384695
  C      -7.182550      4.537694     -0.266508
  C      -5.825324      4.175483     -0.046434
  C      -5.041082      4.923514      0.824066
  C      -5.592663      6.056910      1.518328
  C      -6.577529      2.814162      7.365547
  C      -6.946792      4.198624      7.884068
  C      -8.389929      4.304951      8.371638
  C      -9.473758      4.178031      7.336746
  N      -9.151811      4.181101      6.029912
  C     -10.146891      4.058975      5.132654
  N     -11.425194      3.921108      5.368940
  C     -11.794354      3.937375      6.692851
  C     -13.145678      3.811622      7.025794
  C     -13.546829      3.835560      8.355896
  C     -12.608720      3.986659      9.381097
  C     -11.273443      4.109356      9.082869
  C     -10.833413      4.081382      7.735833
  H      -3.605119      1.937616      1.931649
  H      -5.058254      2.802088      2.468353
  H      -5.961047      0.770994      3.525291
  H      -4.494541     -0.154597      3.109110
  H      -6.437307     -0.540198      1.527714
  H      -6.374803      1.168813      1.048888
  H      -3.321125      1.541394     -2.195294
  H      -1.483153     -2.641484     -1.508987
  H      -1.899183     -4.511604      0.112415
  H      -3.676002     -4.284451      1.849599
  H      -5.027925     -2.210097      1.999653
  H      -4.800792      6.649002      5.299050
  H      -3.452265      7.226333      6.289965
  H      -1.906525      7.051124      4.283712
  H      -3.226406      8.241194      4.141329
  H      -2.774869      6.788319      2.052889
  H      -3.369033      5.402839      2.980860
  H      -7.150577      9.024809      3.199213
  H      -8.773643      5.935125      0.224058
  H      -7.792783      3.937705     -0.949250
  H      -5.399897      3.273739     -0.530453
  H      -3.996221      4.624536      0.998546
  H      -6.805937      2.076104      8.142431
  H      -7.211375      2.573314      6.511422
  H      -6.283742      4.449711      8.715892
  H      -6.750952      4.933690      7.099937
  H      -8.562828      3.545104      9.156639
  H      -8.527910      5.272395      8.886137
  H      -9.831785      4.066191      4.076555
  H     -13.858001      3.700184      6.212098
  H     -14.596393      3.737469      8.605345
  H     -12.935092      4.007303     10.422305
  H     -10.555122      4.230285      9.889087
  N      -5.840448      4.275910      4.663625
  N      -6.964943      4.853267      4.403044
  H      -7.756775      4.647616      5.081061
  H      -7.178760      5.010661      3.401747
99
Coordinates from ORCA-job orca E -6259.115129181194
  N      -3.702314      2.312521      3.972538
  Mo     -4.355941      3.541394      5.385877
  N      -5.153603      2.664427      6.967838
  C      -4.268399      2.138701      7.997252
  C      -2.980576      1.664675      7.347250
  N      -2.503714      2.688959      6.393165
  C      -1.673718      2.118061      5.302951
  C      -2.566510      1.452838      4.276779
  C      -1.831655      3.819942      7.071358
  C      -1.955274      5.071775      6.214669
  N      -3.329156      5.207028      5.742843
  H      -1.988270      1.268603      3.371239
  H      -2.886498      0.476003      4.636087
  H      -1.152240      2.948303      4.830129
  H      -0.921110      1.424047      5.704415
  H      -1.676960      5.948202      6.827210
  H      -1.232397      5.041864      5.375884
  H      -2.353449      3.986156      8.024539
  H      -0.776724      3.570041      7.290098
  H      -4.739776      1.287948      8.512103
  H      -4.057843      2.891173      8.776020
  H      -3.188614      0.757703      6.774156
  H      -2.199096      1.435112      8.089311
  C      -4.370070      1.989864      2.711273
  C      -5.166348      0.685863      2.750192
  C      -5.774226      0.340167      1.391767
  C      -4.742204      0.039079      0.355165
  N      -4.485086      0.986954     -0.549109
  C      -3.512932      0.736141     -1.453444
  N      -2.756928     -0.340637     -1.559904
  C      -3.008005     -1.335571     -0.650726
  C      -2.243288     -2.532591     -0.699620
  C      -2.482288     -3.556388      0.206525
  C      -3.491829     -3.421761      1.185054
  C      -4.254613     -2.257700      1.256268
  C      -4.025839     -1.191281      0.347490
  C      -3.685115      6.572308      5.430550
  C      -3.016842      7.139500      4.200209
  C      -3.481410      6.484265      2.907535
  C      -4.899439      6.808728      2.500182
  N      -5.506399      7.869935      3.066555
  C      -6.794412      8.143001      2.705088
  N      -7.560773      7.475740      1.874376
  C      -6.962384      6.387109      1.268567
  C      -7.719810      5.602836      0.369976
  C      -7.130739      4.500906     -0.260430
  C      -5.780384      4.173778     -0.024573
  C      -5.026679      4.928141      0.852684
  C      -5.589498      6.023501      1.530390
  C      -6.560735      2.792223      7.358565
  C      -6.929431      4.187643      7.896035
  C      -8.376917      4.293881      8.377098
  C      -9.469529      4.169466      7.335984
  N      -9.163299      4.161347      6.032160
  C     -10.181976      4.040272      5.136846
  N     -11.465284      3.915357      5.370251
  C     -11.819949      3.944736      6.689663
  C     -13.177555      3.839628      7.020606
  C     -13.565561      3.878531      8.345418
  C     -12.606216      4.024263      9.372515
  C     -11.264095      4.127598      9.076241
  C     -10.835975      4.085152      7.733527
  H      -3.616473      1.932630      1.901757
  H      -5.046753      2.811163      2.459205
  H      -5.962523      0.782679      3.488194
  H      -4.530868     -0.131650      3.072251
  H      -6.447985     -0.520027      1.510530
  H      -6.372536      1.179270      1.040730
  H      -3.329509      1.534010     -2.181922
  H      -1.475157     -2.617066     -1.470031
  H      -1.891755     -4.475661      0.162203
  H      -3.676446     -4.238924      1.888722
  H      -5.037484     -2.166415      2.013920
  H      -4.763271      6.619113      5.304303
  H      -3.417470      7.212536      6.287518
  H      -1.934788      7.035124      4.297069
  H      -3.229433      8.199385      4.163589
  H      -2.818830      6.771800      2.085902
  H      -3.380324      5.397059      2.997100
  H      -7.247222      9.020095      3.173176
  H      -8.763037      5.891317      0.194244
  H      -7.718156      3.893615     -0.948519
  H      -5.344836      3.309627     -0.509740
  H      -3.990943      4.668720      1.042739
  H      -6.787385      2.029364      8.135808
  H      -7.192476      2.560193      6.481105
  H      -6.258644      4.436554      8.746114
  H      -6.731950      4.939259      7.112086
  H      -8.555240      3.536066      9.156507
  H      -8.511630      5.264233      8.892493
  H      -9.887919      4.044160      4.092053
  H     -13.904619      3.732573      6.204468
  H     -14.621110      3.798048      8.594498
  H     -12.923721      4.057845     10.414512
  H     -10.531616      4.246520      9.884416
  N      -5.831641      4.265319      4.680898
  N      -6.988825      4.853805      4.404303
  H      -7.802436      4.656801      5.059999
  H      -7.199559      5.028107      3.404167
99
Coordinates from ORCA-job orca E -6259.115095374126
  N      -3.696855      2.330172      3.999890
  Mo     -4.359515      3.560887      5.398791
  N      -5.172214      2.681922      6.972245
  C      -4.298942      2.151500      8.018108
  C      -3.003555      1.670236      7.381046
  N      -2.512168      2.699437      6.427518
  C      -1.671750      2.122788      5.348729
  C      -2.558887      1.451501      4.313334
  C      -1.842164      3.833198      7.112221
  C      -1.951147      5.080175      6.248948
  N      -3.323315      5.221748      5.760456
  H      -1.956724      1.261502      3.393105
  H      -2.899306      0.453360      4.676877
  H      -1.135980      2.960821      4.875175
  H      -0.923222      1.425422      5.767956
  H      -1.673082      5.957825      6.855721
  H      -1.220128      5.039258      5.420211
  H      -2.372381      4.004555      8.058328
  H      -0.792213      3.579892      7.343950
  H      -4.782010      1.295151      8.528564
  H      -4.095362      2.908927      8.805687
  H      -3.208616      0.759802      6.799486
  H      -2.232456      1.435065      8.136409
  C      -4.355472      2.010018      2.736793
  C      -5.156626      0.699156      2.768244
  C      -5.771253      0.345161      1.379348
  C      -4.732356      0.026812      0.325268
  N      -4.479394      0.964163     -0.581245
  C      -3.512649      0.694736     -1.495035
  N      -2.763569     -0.385743     -1.608095
  C      -3.012010     -1.366289     -0.699485
  C      -2.267351     -2.555569     -0.762771
  C      -2.508938     -3.566615      0.135960
  C      -3.501710     -3.424805      1.124799
  C      -4.240436     -2.270755      1.211324
  C      -4.017576     -1.212026      0.309570
  C      -3.685006      6.618742      5.427361
  C      -2.977900      7.181568      4.150852
  C      -3.434948      6.488856      2.857307
  C      -4.855070      6.818392      2.461316
  N      -5.454386      7.904331      3.028354
  C      -6.745203      8.177916      2.680257
  N      -7.516065      7.479878      1.856109
  C      -6.934015      6.379381      1.255294
  C      -7.706245      5.582646      0.373945
  C      -7.148547      4.492159     -0.231155
  C      -5.800918      4.152537      0.002602
  C      -5.024776      4.907593      0.854961
  C      -5.565900      6.019241      1.511292
  C      -6.579959      2.806730      7.354416
  C      -6.947811      4.201024      7.886272
  C      -8.391425      4.306581      8.370202
  C      -9.473504      4.176131      7.334908
  N      -9.153053      4.169964      6.034121
  C     -10.162788      4.037526      5.145444
  N     -11.460859      3.894602      5.396819
  C     -11.827044      3.920376      6.716871
  C     -13.202265      3.791217      7.068779
  C     -13.604840      3.823379      8.394573
  C     -12.646975      3.987944      9.406075
  C     -11.286345      4.114222      9.088772
  C     -10.844627      4.077580      7.742514
  H      -3.587219      1.956322      1.934306
  H      -5.033839      2.835274      2.477280
  H      -5.972337      0.797858      3.516870
  H      -4.501590     -0.132177      3.103621
  H      -6.443966     -0.517519      1.505918
  H      -6.387101      1.196209      1.011225
  H      -3.334590      1.483367     -2.227429
  H      -1.512954     -2.644172     -1.541937
  H      -1.935481     -4.485331      0.080336
  H      -3.686597     -4.235190      1.822170
  H      -5.006423     -2.177089      1.975065
  H      -4.777777      6.680974      5.292262
  H      -3.434068      7.272636      6.298232
  H      -1.884760      7.069935      4.239825
  H      -3.192777      8.277329      4.089341
  H      -2.765830      6.766185      2.008763
  H      -3.334790      5.383952      2.965752
  H      -7.185574      9.058932      3.147180
  H      -8.740608      5.867906      0.198272
  H      -7.750127      3.878701     -0.904835
  H      -5.379657      3.267978     -0.464364
  H      -3.987654      4.628926      1.034271
  H      -6.811175      2.044532      8.130188
  H      -7.206892      2.573719      6.478643
  H      -6.283832      4.453738      8.730837
  H      -6.747445      4.947950      7.098118
  H      -8.569846      3.546250      9.151041
  H      -8.528094      5.273147      8.883120
  H      -9.859032      4.045674      4.095356
  H     -13.923468      3.670086      6.266580
  H     -14.669644      3.723176      8.657854
  H     -12.973960      4.015807     10.446381
  H     -10.560515      4.244065      9.884748
  N      -5.815427      4.284386      4.674070
  N      -6.956640      4.872092      4.395705
  H      -7.772216      4.666736      5.053900
  H      -7.156750      5.038437      3.412667
99
Coordinates from ORCA-job orca E -6259.114712764690
  N      -3.689829      2.317821      3.974458
  Mo     -4.362545      3.546804      5.372052
  N      -5.173840      2.667354      6.953170
  C      -4.300945      2.140594      7.997998
  C      -3.002574      1.661994      7.357370
  N      -2.518270      2.695204      6.402173
  C      -1.671949      2.124002      5.319138
  C      -2.560726      1.449175      4.278908
  C      -1.854833      3.834064      7.088814
  C      -1.971556      5.082451      6.229957
  N      -3.342662      5.216113      5.740443
  H      -1.965623      1.257323      3.357777
  H      -2.901189      0.447729      4.640462
  H      -1.137061      2.971227      4.844518
  H      -0.918291      1.426145      5.738517
  H      -1.697643      5.963404      6.847577
  H      -1.239519      5.052626      5.395227
  H      -2.383418      4.002626      8.037564
  H      -0.804913      3.588964      7.318457
  H      -4.782726      1.282385      8.510471
  H      -4.096525      2.900039      8.785864
  H      -3.204821      0.746777      6.774679
  H      -2.226755      1.429708      8.110721
  C      -4.340504      1.998542      2.714454
  C      -5.137130      0.695633      2.744195
  C      -5.743818      0.348419      1.370096
  C      -4.710706      0.041183      0.331081
  N      -4.431205      0.990693     -0.585063
  C      -3.456854      0.729002     -1.488377
  N      -2.717508     -0.360210     -1.578604
  C      -2.986180     -1.351462     -0.662332
  C      -2.232649     -2.547576     -0.700891
  C      -2.482722     -3.569698      0.207484
  C      -3.500892     -3.429988      1.176211
  C      -4.252042     -2.270727      1.241028
  C      -4.008190     -1.201108      0.331100
  C      -3.713037      6.584697      5.418745
  C      -3.019782      7.155510      4.173874
  C      -3.477691      6.491424      2.881793
  C      -4.890949      6.818948      2.485438
  N      -5.449016      7.857039      3.066857
  C      -6.722218      8.127668      2.734933
  N      -7.515276      7.458646      1.906264
  C      -6.954235      6.381159      1.285649
  C      -7.737339      5.607748      0.398468
  C      -7.198181      4.529956     -0.253391
  C      -5.848213      4.159720     -0.050042
  C      -5.055346      4.895369      0.817239
  C      -5.600335      6.026244      1.520163
  C      -6.579798      2.792061      7.342386
  C      -6.941382      4.177165      7.882351
  C      -8.381755      4.293320      8.379236
  C      -9.476373      4.181891      7.344872
  N      -9.150827      4.190115      6.019349
  C     -10.154423      4.075978      5.114106
  N     -11.457760      3.941741      5.371112
  C     -11.826765      3.959735      6.713635
  C     -13.197035      3.846808      7.061416
  C     -13.594795      3.874171      8.406139
  C     -12.638063      4.016124      9.434158
  C     -11.282939      4.126388      9.121711
  C     -10.846940      4.094111      7.757401
  H      -3.588384      1.944047      1.918796
  H      -5.012482      2.824753      2.459135
  H      -5.943605      0.798230      3.484661
  H      -4.496846     -0.139229      3.080200
  H      -6.423512     -0.511543      1.489163
  H      -6.335654      1.199604      1.012411
  H      -3.262227      1.523725     -2.223534
  H      -1.453234     -2.639399     -1.465950
  H      -1.890272     -4.494977      0.171117
  H      -3.694346     -4.248109      1.877742
  H      -5.040899     -2.178472      1.990999
  H      -4.806717      6.640120      5.281621
  H      -3.458097      7.222393      6.281804
  H      -1.922726      7.054272      4.274765
  H      -3.240770      8.228911      4.130077
  H      -2.808967      6.773896      2.058337
  H      -3.375226      5.407872      2.974979
  H      -7.150833      9.013922      3.226915
  H      -8.771721      5.904904      0.245487
  H      -7.813429      3.939594     -0.934899
  H      -5.430357      3.256370     -0.551537
  H      -4.012084      4.591729      0.976412
  H      -6.802433      2.041116      8.112532
  H      -7.211748      2.561352      6.483678
  H      -6.270791      4.413338      8.718622
  H      -6.745462      4.926801      7.105644
  H      -8.557926      3.528595      9.159713
  H      -8.507372      5.262981      8.905773
  H      -9.840147      4.091981      4.045763
  H     -13.917747      3.743673      6.248213
  H     -14.649639      3.787611      8.661297
  H     -12.957720      4.040253     10.479925
  H     -10.555115      4.240900      9.925717
  N      -5.827780      4.263812      4.642395
  N      -6.934199      4.826188      4.380122
  H      -7.737534      4.617149      5.034455
  H      -7.135377      4.985375      3.403916
99
Coordinates from ORCA-job orca E -6259.115895971218
  N      -3.716913      2.320692      3.983122
  Mo     -4.368551      3.547232      5.395598
  N      -5.160233      2.670734      6.975883
  C      -4.275104      2.148836      8.004038
  C      -2.989731      1.671520      7.356626
  N      -2.511431      2.691296      6.404887
  C      -1.687343      2.120512      5.315931
  C      -2.578426      1.453367      4.284826
  C      -1.838159      3.819536      7.083078
  C      -1.961506      5.070306      6.226762
  N      -3.337657      5.211297      5.752679
  H      -1.992662      1.273672      3.374203
  H      -2.899839      0.464595      4.642086
  H      -1.165648      2.948284      4.845034
  H      -0.936556      1.427519      5.716063
  H      -1.680929      5.944006      6.841580
  H      -1.238039      5.041174      5.389768
  H      -2.358845      3.987842      8.035073
  H      -0.782426      3.567664      7.301930
  H      -4.745318      1.303075      8.520523
  H      -4.060853      2.901960      8.778042
  H      -3.199491      0.764567      6.785029
  H      -2.211078      1.442760      8.101262
  C      -4.383341      1.995684      2.718713
  C      -5.174746      0.684123      2.764071
  C      -5.784198      0.332291      1.388676
  C      -4.740430      0.029292      0.346447
  N      -4.492039      0.986310     -0.566801
  C      -3.520735      0.736834     -1.476396
  N      -2.755936     -0.352378     -1.579819
  C      -2.999856     -1.353202     -0.665187
  C      -2.238327     -2.553678     -0.717296
  C      -2.475749     -3.579030      0.191971
  C      -3.474537     -3.445139      1.175267
  C      -4.235445     -2.279994      1.250662
  C      -4.013270     -1.208876      0.337630
  C      -3.699036      6.593624      5.435006
  C      -3.021746      7.169308      4.188161
  C      -3.474586      6.504084      2.893099
  C      -4.892304      6.828005      2.493766
  N      -5.474535      7.856148      3.059267
  C      -6.755327      8.122979      2.708404
  N      -7.537471      7.472990      1.878577
  C      -6.954276      6.404417      1.269182
  C      -7.720341      5.621515      0.370136
  C      -7.131675      4.502559     -0.276708
  C      -5.780043      4.177605     -0.049930
  C      -5.017765      4.934788      0.829920
  C      -5.583929      6.043646      1.523909
  C      -6.568888      2.796095      7.365565
  C      -6.937347      4.181482      7.893690
  C      -8.383011      4.287565      8.375610
  C      -9.470256      4.163351      7.341848
  N      -9.161349      4.151052      6.043510
  C     -10.169932      4.037987      5.146956
  N     -11.445327      3.921126      5.374569
  C     -11.806250      3.947266      6.693866
  C     -13.160975      3.842102      7.024826
  C     -13.554585      3.876305      8.354715
  C     -12.603714      4.017371      9.380415
  C     -11.265811      4.120876      9.083046
  C     -10.832962      4.083042      7.737939
  H      -3.617692      1.942999      1.908869
  H      -5.072396      2.812720      2.458500
  H      -5.986210      0.778786      3.508267
  H      -4.522368     -0.135989      3.097625
  H      -6.457828     -0.531453      1.508917
  H      -6.396741      1.169253      1.030256
  H      -3.344886      1.536329     -2.205166
  H      -1.478072     -2.639164     -1.490483
  H      -1.890381     -4.496254      0.142674
  H      -3.656488     -4.261083      1.880125
  H      -5.012141     -2.187376      2.012190
  H      -4.779595      6.639439      5.312612
  H      -3.438934      7.240111      6.296616
  H      -1.932040      7.063581      4.278684
  H      -3.237605      8.243935      4.148913
  H      -2.803071      6.798022      2.059332
  H      -3.372534      5.402827      2.982851
  H      -7.199437      8.999915      3.194874
  H      -8.763898      5.909247      0.203134
  H      -7.726645      3.894955     -0.963146
  H      -5.346665      3.315105     -0.537957
  H      -3.980846      4.674463      1.013121
  H      -6.799677      2.040030      8.137163
  H      -7.197991      2.565861      6.494807
  H      -6.273756      4.431581      8.731323
  H      -6.739592      4.919802      7.111601
  H      -8.560264      3.531660      9.156667
  H      -8.518663      5.254572      8.884927
  H      -9.867745      4.038474      4.103572
  H     -13.884039      3.737948      6.210125
  H     -14.609021      3.794787      8.605444
  H     -12.925063      4.046600     10.423459
  H     -10.537991      4.234818      9.890557
  N      -5.840896      4.271854      4.683285
  N      -6.974366      4.850155      4.407629
  H      -7.779032      4.636560      5.070925
  H      -7.189110      5.017662      3.403426
99
Coordinates from ORCA-job orca E -6259.115768281842
  N      -3.700920      2.325060      3.983339
  Mo     -4.362858      3.556402      5.381985
  N      -5.173247      2.676474      6.959193
  C      -4.296094      2.136280      8.003856
  C      -3.001798      1.655716      7.358265
  N      -2.516070      2.691394      6.401740
  C      -1.673527      2.114671      5.316540
  C      -2.573445      1.448150      4.289404
  C      -1.842841      3.827546      7.087340
  C      -1.951679      5.074538      6.223481
  N      -3.323398      5.214829      5.740973
  H      -1.985588      1.253033      3.375157
  H      -2.919044      0.463513      4.651399
  H      -1.135433      2.956351      4.836840
  H      -0.920769      1.411923      5.736121
  H      -1.669087      5.955184      6.825679
  H      -1.224294      5.028524      5.390346
  H      -2.371401      3.997799      8.037327
  H      -0.792871      3.574835      7.316153
  H      -4.780351      1.272496      8.511932
  H      -4.091834      2.893322      8.799839
  H      -3.208732      0.743257      6.772992
  H      -2.224096      1.417287      8.108303
  C      -4.355360      2.008755      2.720971
  C      -5.156123      0.707343      2.743820
  C      -5.751962      0.366226      1.375039
  C      -4.713395      0.049602      0.343022
  N      -4.437310      0.989977     -0.553397
  C      -3.457486      0.719668     -1.449946
  N      -2.712083     -0.364665     -1.552803
  C      -2.985259     -1.350825     -0.650132
  C      -2.242052     -2.550554     -0.699756
  C      -2.508947     -3.566210      0.195364
  C      -3.528916     -3.418926      1.165455
  C      -4.266410     -2.252637      1.237364
  C      -4.012838     -1.191870      0.339234
  C      -3.675048      6.585816      5.419246
  C      -2.978373      7.136898      4.162741
  C      -3.451955      6.464880      2.874399
  C      -4.877565      6.800658      2.475770
  N      -5.482118      7.884140      3.049646
  C      -6.772713      8.157980      2.702937
  N      -7.539951      7.467237      1.879666
  C      -6.959135      6.375547      1.268981
  C      -7.737246      5.597481      0.377403
  C      -7.177805      4.515580     -0.248843
  C      -5.819971      4.164903     -0.017706
  C      -5.045819      4.911454      0.847635
  C      -5.589346      6.013960      1.518353
  C      -6.582610      2.813980      7.344180
  C      -6.942953      4.214399      7.890263
  C      -8.388585      4.320871      8.380675
  C      -9.474385      4.194641      7.337738
  N      -9.159904      4.200626      6.030661
  C     -10.168073      4.059559      5.144941
  N     -11.452076      3.898499      5.393343
  C     -11.811555      3.919503      6.711080
  C     -13.170234      3.778586      7.055743
  C     -13.565599      3.807306      8.375730
  C     -12.613453      3.979278      9.388862
  C     -11.269897      4.115928      9.080483
  C     -10.834968      4.083737      7.741014
  H      -3.593476      1.952267      1.921158
  H      -5.023609      2.836412      2.465301
  H      -5.959722      0.805095      3.477625
  H      -4.523671     -0.120454      3.067495
  H      -6.426339     -0.490889      1.492043
  H      -6.343367      1.216831      1.012114
  H      -3.261358      1.511361     -2.178919
  H      -1.467875     -2.641952     -1.463933
  H      -1.936743     -4.490394      0.151184
  H      -3.735488     -4.231664      1.859474
  H      -5.052456     -2.154135      1.987117
  H      -4.768172      6.658833      5.284940
  H      -3.413066      7.221613      6.282662
  H      -1.887514      7.018564      4.257667
  H      -3.186228      8.210278      4.104896
  H      -2.790207      6.739580      2.040064
  H      -3.354232      5.374691      2.978347
  H      -7.215988      9.041193      3.173019
  H      -8.778570      5.893080      0.206005
  H      -7.779736      3.914386     -0.934010
  H      -5.394795      3.278738     -0.496892
  H      -4.004720      4.627734      1.025679
  H      -6.815835      2.048643      8.119314
  H      -7.214428      2.589005      6.466435
  H      -6.269823      4.458782      8.740855
  H      -6.742941      4.974621      7.104529
  H      -8.566546      3.549972      9.159971
  H      -8.525218      5.290970      8.907856
  H      -9.867524      4.078319      4.092390
  H     -13.889445      3.651771      6.250999
  H     -14.622312      3.699080      8.635426
  H     -12.937451      4.004575     10.426813
  H     -10.545013      4.251732      9.878637
  N      -5.821687      4.281497      4.667022
  N      -6.987133      4.884542      4.408358
  H      -7.793232      4.695621      5.080437
  H      -7.197694      5.056492      3.417564
99
Coordinates from ORCA-job orca E -6259.116480249487
  N      -3.689362      2.314462      3.990135
  Mo     -4.351483      3.543372      5.391539
  N      -5.158357      2.668930      6.970075
  C      -4.282951      2.152321      8.011383
  C      -2.990160      1.669613      7.375639
  N      -2.502149      2.692603      6.420722
  C      -1.668063      2.117275      5.338176
  C      -2.552360      1.447406      4.299444
  C      -1.834452      3.826950      7.101183
  C      -1.953073      5.075475      6.244144
  N      -3.326363      5.211421      5.757653
  H      -1.956763      1.262088      3.383159
  H      -2.882655      0.449663      4.658831
  H      -1.136294      2.950205      4.869885
  H      -0.923628      1.422531      5.748899
  H      -1.677354      5.950848      6.865811
  H      -1.223288      5.051399      5.408121
  H      -2.359671      3.998452      8.048989
  H      -0.783417      3.579986      7.328520
  H      -4.761900      1.307176      8.531527
  H      -4.072858      2.912355      8.783488
  H      -3.195677      0.758259      6.801065
  H      -2.218497      1.440392      8.129624
  C      -4.351947      1.985562      2.730834
  C      -5.146738      0.673749      2.769669
  C      -5.768622      0.310346      1.376344
  C      -4.740767      0.008260      0.318030
  N      -4.496900      0.947488     -0.602283
  C      -3.544388      0.697640     -1.523629
  N      -2.799523     -0.366079     -1.632811
  C      -3.025787     -1.350290     -0.711575
  C      -2.246849     -2.529940     -0.764461
  C      -2.444570     -3.547925      0.150928
  C      -3.436479     -3.421323      1.142980
  C      -4.213757     -2.277545      1.219956
  C      -4.019222     -1.214348      0.304095
  C      -3.703598      6.591814      5.430631
  C      -3.021609      7.168718      4.174918
  C      -3.478382      6.491361      2.881253
  C      -4.895299      6.819133      2.489299
  N      -5.483390      7.875258      3.074538
  C      -6.768431      8.147367      2.738615
  N      -7.540629      7.465712      1.909549
  C      -6.956247      6.377783      1.288484
  C      -7.718022      5.586655      0.405372
  C      -7.156425      4.502960     -0.224358
  C      -5.813705      4.159394     -0.010813
  C      -5.042835      4.905545      0.843899
  C      -5.595521      6.023727      1.527347
  C      -6.565048      2.794292      7.356576
  C      -6.933096      4.179653      7.877102
  C      -8.375221      4.293903      8.362223
  C      -9.467356      4.174110      7.326645
  N      -9.144619      4.164965      6.017685
  C     -10.160253      4.059629      5.113429
  N     -11.469285      3.948509      5.360708
  C     -11.836268      3.974474      6.692526
  C     -13.216229      3.877583      7.035437
  C     -13.616061      3.911168      8.371974
  C     -12.651242      4.045965      9.400238
  C     -11.285356      4.142750      9.090589
  C     -10.846708      4.102337      7.733261
  H      -3.599397      1.933905      1.928644
  H      -5.034198      2.805227      2.475051
  H      -5.963326      0.777343      3.520112
  H      -4.485260     -0.153891      3.120347
  H      -6.442739     -0.557577      1.504743
  H      -6.388450      1.155446      1.010012
  H      -3.377586      1.488080     -2.261801
  H      -1.488248     -2.610848     -1.547070
  H      -1.830189     -4.461444      0.104735
  H      -3.589336     -4.236434      1.852417
  H      -4.980737     -2.195771      1.987729
  H      -4.792523      6.640254      5.304517
  H      -3.449088      7.242755      6.297482
  H      -1.928317      7.072335      4.264954
  H      -3.244797      8.249441      4.131257
  H      -2.808068      6.776530      2.043685
  H      -3.377547      5.395087      2.977255
  H      -7.207126      9.015944      3.226511
  H      -8.747772      5.866053      0.245885
  H      -7.751861      3.892731     -0.895877
  H      -5.384566      3.266313     -0.492168
  H      -4.008440      4.623510      1.010026
  H      -6.791213      2.047288      8.131215
  H      -7.194960      2.555020      6.495800
  H      -6.267426      4.431661      8.713065
  H      -6.735160      4.916286      7.092505
  H      -8.555300      3.546354      9.143476
  H      -8.503442      5.260230      8.870320
  H      -9.854133      4.064225      4.054304
  H     -13.942734      3.779890      6.221120
  H     -14.680837      3.834370      8.625592
  H     -12.974265      4.074073     10.445706
  H     -10.553130      4.251038      9.897097
  N      -5.820523      4.265194      4.674284
  N      -6.946119      4.838224      4.407031
  H      -7.768398      4.624079      5.067252
  H      -7.158097      5.008246      3.426591
99
Coordinates from ORCA-job orca E -6259.114886151413
  N      -3.707094      2.319118      3.963473
  Mo     -4.375660      3.544295      5.374917
  N      -5.180827      2.661212      6.953151
  C      -4.308123      2.136805      7.990845
  C      -3.014183      1.659040      7.348910
  N      -2.532065      2.687662      6.398754
  C      -1.691162      2.121144      5.313391
  C      -2.573499      1.448358      4.267791
  C      -1.867641      3.819649      7.085093
  C      -1.986594      5.074689      6.230200
  N      -3.356986      5.211136      5.745965
  H      -1.973801      1.263691      3.348040
  H      -2.904335      0.445383      4.626818
  H      -1.161275      2.964443      4.843461
  H      -0.937101      1.423205      5.727085
  H      -1.714029      5.951866      6.851893
  H      -1.256575      5.050737      5.395714
  H      -2.394069      3.984873      8.034911
  H      -0.815156      3.569930      7.311323
  H      -4.784931      1.286482      8.503513
  H      -4.099317      2.892579      8.772281
  H      -3.217620      0.749928      6.769968
  H      -2.237626      1.427660      8.099639
  C      -4.360600      2.010199      2.697555
  C      -5.160323      0.702937      2.729219
  C      -5.752145      0.366972      1.361793
  C      -4.693091      0.057884      0.340102
  N      -4.405333      1.018024     -0.562329
  C      -3.404789      0.750622     -1.450282
  N      -2.645704     -0.361602     -1.536353
  C      -2.938554     -1.358178     -0.635520
  C      -2.214163     -2.561429     -0.679646
  C      -2.507869     -3.583008      0.210903
  C      -3.527508     -3.438996      1.168213
  C      -4.251858     -2.271918      1.238103
  C      -3.981879     -1.198798      0.342330
  C      -3.720849      6.593383      5.429846
  C      -3.032628      7.172664      4.187256
  C      -3.473992      6.506020      2.887721
  C      -4.890075      6.823894      2.480039
  N      -5.464432      7.840945      3.051900
  C      -6.745408      8.100957      2.698377
  N      -7.536643      7.447196      1.855117
  C      -6.950888      6.377577      1.243274
  C      -7.718175      5.588281      0.340463
  C      -7.141595      4.496113     -0.307559
  C      -5.786945      4.172167     -0.082819
  C      -5.013224      4.927339      0.803671
  C      -5.580759      6.032136      1.502136
  C      -6.585147      2.783525      7.343123
  C      -6.944841      4.169577      7.884927
  C      -8.382227      4.283133      8.384113
  C      -9.478979      4.170645      7.366261
  N      -9.170494      4.166788      6.049281
  C     -10.180527      4.053932      5.160124
  N     -11.468363      3.932481      5.419673
  C     -11.824494      3.958111      6.755281
  C     -13.182177      3.852835      7.110235
  C     -13.569386      3.887672      8.452828
  C     -12.612562      4.028957      9.468276
  C     -11.269631      4.130794      9.148377
  C     -10.843338      4.091565      7.787708
  H      -3.594624      1.959637      1.894960
  H      -5.038172      2.837344      2.441081
  H      -5.970217      0.799916      3.463226
  H      -4.527110     -0.131900      3.060670
  H      -6.436056     -0.489693      1.469072
  H      -6.338244      1.215682      1.007158
  H      -3.197223      1.551824     -2.173710
  H      -1.435811     -2.655532     -1.434542
  H      -1.952640     -4.507114      0.166658
  H      -3.752642     -4.256211      1.857127
  H      -5.051827     -2.172963      1.978485
  H      -4.802692      6.637884      5.300265
  H      -3.464615      7.241230      6.292328
  H      -1.940542      7.072995      4.287230
  H      -3.255797      8.252407      4.147866
  H      -2.799119      6.799985      2.059622
  H      -3.361643      5.408396      2.979526
  H      -7.193000      8.982267      3.186425
  H      -8.766413      5.872200      0.171268
  H      -7.744075      3.893444     -1.001143
  H      -5.356994      3.312028     -0.580783
  H      -3.965129      4.661434      0.984039
  H      -6.814175      2.023770      8.113328
  H      -7.216552      2.558086      6.474932
  H      -6.275965      4.406557      8.719469
  H      -6.747301      4.916557      7.106311
  H      -8.552835      3.516415      9.166194
  H      -8.505923      5.251884      8.906742
  H      -9.878599      4.058206      4.104869
  H     -13.905569      3.749240      6.305321
  H     -14.617472      3.806862      8.715410
  H     -12.924934      4.059350     10.515124
  H     -10.540094      4.245115      9.944217
  N      -5.842387      4.266219      4.638371
  N      -6.949208      4.829770      4.352182
  H      -7.742976      4.619495      4.991339
  H      -7.142624      4.976641      3.365531
99
Coordinates from ORCA-job orca E -6259.116529064599
  N      -3.714418      2.330822      3.992457
  Mo     -4.366552      3.558129      5.394186
  N      -5.168219      2.678551      6.970424
  C      -4.282711      2.145441      8.011242
  C      -2.992805      1.665744      7.362677
  N      -2.505681      2.694215      6.406534
  C      -1.676663      2.110406      5.321175
  C      -2.582270      1.452209      4.297182
  C      -1.824114      3.827287      7.082692
  C      -1.937692      5.066277      6.212189
  N      -3.314980      5.213413      5.735892
  H      -1.997194      1.265201      3.388629
  H      -2.925661      0.472129      4.652981
  H      -1.137385      2.939406      4.842294
  H      -0.928675      1.405913      5.731524
  H      -1.648999      5.945166      6.801604
  H      -1.216595      5.010709      5.380723
  H      -2.346894      4.002680      8.033854
  H      -0.770830      3.571777      7.305434
  H      -4.760281      1.283575      8.526288
  H      -4.073840      2.903869      8.802957
  H      -3.204613      0.756238      6.779208
  H      -2.216022      1.427552      8.110492
  C      -4.378822      2.006512      2.730613
  C      -5.172005      0.703110      2.763287
  C      -5.771679      0.345865      1.389260
  C      -4.739358      0.034502      0.343856
  N      -4.497959      0.977119     -0.580057
  C      -3.541661      0.717778     -1.495760
  N      -2.780941     -0.365051     -1.594332
  C      -3.012483     -1.353221     -0.664869
  C      -2.233594     -2.550998     -0.706222
  C      -2.453603     -3.565714      0.218681
  C      -3.458908     -3.421562      1.207835
  C      -4.229802     -2.259345      1.272273
  C      -4.018237     -1.200202      0.345001
  C      -3.660230      6.590734      5.406526
  C      -2.969949      7.137242      4.145824
  C      -3.455582      6.470342      2.869034
  C      -4.871853      6.809171      2.486893
  N      -5.446827      7.873457      3.065611
  C      -6.720493      8.140626      2.741462
  N      -7.507663      7.472134      1.929474
  C      -6.956994      6.405784      1.306095
  C      -7.760051      5.651471      0.419389
  C      -7.213181      4.548380     -0.237940
  C      -5.850541      4.177659     -0.032875
  C      -5.058461      4.919514      0.831668
  C      -5.591483      6.031860      1.531436
  C      -6.580238      2.807554      7.358358
  C      -6.950519      4.205064      7.897778
  C      -8.399342      4.308290      8.379516
  C      -9.477698      4.182207      7.329217
  N      -9.160561      4.184354      6.031242
  C     -10.157828      4.062492      5.130006
  N     -11.433263      3.918996      5.352051
  C     -11.801497      3.931243      6.667472
  C     -13.160047      3.798513      6.994984
  C     -13.562765      3.816215      8.318729
  C     -12.617254      3.969299      9.344815
  C     -11.277134      4.100353      9.052083
  C     -10.835539      4.079401      7.713266
  H      -3.615495      1.948007      1.921846
  H      -5.056182      2.829259      2.474592
  H      -5.982756      0.803705      3.501019
  H      -4.529472     -0.112685      3.092593
  H      -6.436584     -0.516149      1.510847
  H      -6.383984      1.180634      1.025964
  H      -3.373360      1.504607     -2.238838
  H      -1.471717     -2.641774     -1.484058
  H      -1.850379     -4.483463      0.180271
  H      -3.626512     -4.229809      1.924540
  H      -4.994556     -2.163163      2.037652
  H      -4.754893      6.667848      5.279247
  H      -3.392781      7.228132      6.264365
  H      -1.879305      7.012207      4.228892
  H      -3.169241      8.208904      4.089889
  H      -2.801425      6.741949      2.033671
  H      -3.369625      5.382455      2.969987
  H      -7.148479      9.028178      3.234194
  H      -8.802004      5.961061      0.272042
  H      -7.832231      3.956526     -0.916595
  H      -5.434185      3.284463     -0.524084
  H      -4.017074      4.625692      0.990687
  H      -6.808256      2.044210      8.132995
  H      -7.212660      2.576964      6.481513
  H      -6.281330      4.458529      8.745189
  H      -6.755297      4.954311      7.110132
  H      -8.581162      3.542725      9.159762
  H      -8.540345      5.277817      8.898567
  H      -9.851732      4.076745      4.089067
  H     -13.877873      3.685535      6.180185
  H     -14.621936      3.712706      8.568992
  H     -12.947060      3.984614     10.383178
  H     -10.554712      4.221360      9.861065
  N      -5.829185      4.277705      4.693829
  N      -6.978294      4.866443      4.440916
  H      -7.789302      4.657381      5.121005
  H      -7.191936      5.043220      3.437582
99
Coordinates from ORCA-job orca E -6259.120580379207
  N      -3.710326      2.320123      3.975231
  Mo     -4.376738      3.544873      5.377295
  N      -5.188657      2.664634      6.950705
  C      -4.313973      2.134211      7.992515
  C      -3.019731      1.654471      7.354377
  N      -2.529201      2.683523      6.404376
  C      -1.690451      2.107469      5.322624
  C      -2.580516      1.443947      4.284474
  C      -1.860091      3.815962      7.090288
  C      -1.969438      5.062912      6.227483
  N      -3.340585      5.205259      5.739447
  H      -1.985085      1.257920      3.371472
  H      -2.921887      0.452520      4.639678
  H      -1.152190      2.942007      4.852293
  H      -0.944492      1.405912      5.737154
  H      -1.689673      5.942300      6.836215
  H      -1.239064      5.022306      5.395798
  H      -2.391057      3.986443      8.037054
  H      -0.809940      3.563664      7.321882
  H      -4.794962      1.280018      8.503408
  H      -4.108525      2.889885      8.778130
  H      -3.224926      0.745737      6.771929
  H      -2.247746      1.418699      8.107841
  C      -4.362122      2.004121      2.707936
  C      -5.160852      0.698643      2.732599
  C      -5.749672      0.349157      1.348971
  C      -4.699886      0.040824      0.318972
  N      -4.432157      0.985616     -0.592394
  C      -3.452029      0.725802     -1.488887
  N      -2.695345     -0.357509     -1.578234
  C      -2.955469     -1.344519     -0.663545
  C      -2.193413     -2.537464     -0.699881
  C      -2.441998     -3.554728      0.207213
  C      -3.460936     -3.416168      1.173998
  C      -4.219419     -2.258750      1.234604
  C      -3.982366     -1.195152      0.324573
  C      -3.696753      6.584079      5.414687
  C      -3.004339      7.147471      4.162741
  C      -3.464782      6.476838      2.870875
  C      -4.883970      6.799900      2.474503
  N      -5.477382      7.844497      3.058004
  C      -6.761423      8.104490      2.720113
  N      -7.535157      7.430481      1.887896
  C      -6.949618      6.363638      1.261680
  C      -7.717781      5.584856      0.361988
  C      -7.144211      4.505754     -0.288022
  C      -5.786905      4.170605     -0.072403
  C      -5.018404      4.917011      0.803545
  C      -5.580073      6.015383      1.503357
  C      -6.595483      2.798775      7.340610
  C      -6.949152      4.187651      7.889598
  C      -8.387675      4.301571      8.392267
  C      -9.487862      4.197625      7.365896
  N      -9.186151      4.208501      6.054897
  C     -10.203842      4.102916      5.167456
  N     -11.491511      3.972777      5.423595
  C     -11.841037      3.981247      6.753399
  C     -13.201961      3.865239      7.108140
  C     -13.584510      3.881384      8.443942
  C     -12.618036      4.015599      9.457261
  C     -11.272317      4.128974      9.137484
  C     -10.850678      4.108674      7.782793
  H      -3.595989      1.950081      1.909812
  H      -5.035792      2.830338      2.449083
  H      -5.979715      0.799152      3.463106
  H      -4.520099     -0.129086      3.073475
  H      -6.424686     -0.513671      1.460732
  H      -6.351087      1.193157      0.981074
  H      -3.263682      1.516634     -2.223639
  H      -1.417780     -2.626269     -1.461926
  H      -1.851441     -4.471910      0.172011
  H      -3.651697     -4.229753      1.876078
  H      -5.006734     -2.166814      1.983644
  H      -4.784672      6.646431      5.282213
  H      -3.439016      7.226592      6.279099
  H      -1.912650      7.037851      4.257811
  H      -3.217861      8.224641      4.113454
  H      -2.798448      6.763605      2.037268
  H      -3.361432      5.382630      2.966290
  H      -7.208054      8.975880      3.212849
  H      -8.759928      5.867011      0.201675
  H      -7.740676      3.904133     -0.976896
  H      -5.352035      3.297724     -0.566716
  H      -3.975475      4.644045      0.970934
  H      -6.826915      2.036821      8.108420
  H      -7.229607      2.579319      6.470763
  H      -6.272481      4.423869      8.726733
  H      -6.753614      4.939597      7.110645
  H      -8.562843      3.533929      9.167102
  H      -8.508413      5.265520      8.920899
  H      -9.911191      4.123124      4.111090
  H     -13.933217      3.767514      6.304556
  H     -14.639065      3.791835      8.709973
  H     -12.929717      4.030518     10.503278
  H     -10.536039      4.236350      9.934063
  N      -5.837197      4.266499      4.656188
  N      -6.971030      4.845374      4.385282
  H      -7.787607      4.624635      5.037592
  H      -7.168650      5.016795      3.395112
99
Coordinates from ORCA-job orca E -6259.115383666881
  N      -3.711836      2.329333      4.004441
  Mo     -4.331252      3.553741      5.430522
  N      -5.089355      2.672060      7.028464
  C      -4.187645      2.159546      8.050159
  C      -2.912264      1.676721      7.376879
  N      -2.455189      2.695135      6.401051
  C      -1.655612      2.113499      5.293102
  C      -2.577290      1.449318      4.280602
  C      -1.762530      3.829682      7.056976
  C      -1.902910      5.076612      6.197455
  N      -3.290007      5.217191      5.760292
  H      -2.009713      1.258291      3.347832
  H      -2.909119      0.456194      4.649281
  H      -1.131438      2.945263      4.805016
  H      -0.899503      1.411412      5.684508
  H      -1.601789      5.956799      6.799793
  H      -1.202985      5.039028      5.337568
  H      -2.258362      4.004231      8.021392
  H      -0.705189      3.577825      7.251834
  H      -4.650008      1.311541      8.581514
  H      -3.962408      2.922436      8.818717
  H      -3.133105      0.761867      6.812678
  H      -2.115927      1.451323      8.107506
  C      -4.399045      2.022929      2.754081
  C      -5.206012      0.720714      2.797650
  C      -5.826063      0.376580      1.425813
  C      -4.794343      0.063311      0.378031
  N      -4.532404      1.008943     -0.535248
  C      -3.562507      0.745147     -1.444645
  N      -2.812441     -0.342720     -1.545439
  C      -3.069118     -1.330122     -0.631329
  C      -2.321070     -2.525804     -0.682214
  C      -2.567791     -3.544039      0.222838
  C      -3.569910     -3.403286      1.202457
  C      -4.315990     -2.242996      1.278252
  C      -4.082794     -1.177473      0.370176
  C      -3.662768      6.596743      5.449431
  C      -3.022789      7.163542      4.172377
  C      -3.525645      6.489175      2.896175
  C      -4.959247      6.808928      2.550101
  N      -5.529681      7.843585      3.154614
  C      -6.828272      8.104654      2.860411
  N      -7.634134      7.433536      2.052999
  C      -7.064414      6.363928      1.407228
  C      -7.856907      5.574765      0.536890
  C      -7.301606      4.497668     -0.131353
  C      -5.940313      4.175033      0.033864
  C      -5.143815      4.924542      0.881616
  C      -5.685863      6.021691      1.601854
  C      -6.492674      2.780625      7.425297
  C      -6.876584      4.177374      7.915027
  C      -8.337154      4.292857      8.336793
  C      -9.364318      4.129078      7.247916
  N      -8.962748      4.063648      5.962747
  C      -9.911847      3.906082      5.008884
  N     -11.219732      3.791276      5.177641
  C     -11.669221      3.876066      6.477699
  C     -13.054626      3.781007      6.736141
  C     -13.536925      3.875273      8.038734
  C     -12.648919      4.068161      9.114025
  C     -11.280426      4.161916      8.889356
  C     -10.757787      4.061874      7.570468
  H      -3.655502      1.967960      1.936893
  H      -5.074921      2.854332      2.515070
  H      -6.009258      0.825390      3.545884
  H      -4.562475     -0.114039      3.127576
  H      -6.507148     -0.482221      1.550273
  H      -6.426732      1.226806      1.070421
  H      -3.378570      1.537452     -2.179366
  H      -1.557095     -2.617298     -1.454616
  H      -1.988667     -4.464896      0.175296
  H      -3.760144     -4.218658      1.902452
  H      -5.096289     -2.148991      2.036426
  H      -4.752107      6.652506      5.361353
  H      -3.371279      7.243896      6.302199
  H      -1.927819      7.059040      4.226979
  H      -3.242381      8.242526      4.132558
  H      -2.887633      6.777593      2.036900
  H      -3.414520      5.392779      2.988251
  H      -7.259214      8.972864      3.368766
  H      -8.904688      5.848786      0.413785
  H      -7.919420      3.891191     -0.796702
  H      -5.521897      3.307622     -0.476354
  H      -4.095009      4.658826      1.012029
  H      -6.711165      2.040429      8.214851
  H      -7.118427      2.521274      6.563743
  H      -6.240558      4.446922      8.769360
  H      -6.654842      4.902414      7.121034
  H      -8.548526      3.557576      9.131694
  H      -8.498982      5.276286      8.812996
  H      -9.537118      3.865745      3.976640
  H     -13.723086      3.637217      5.886041
  H     -14.607752      3.801865      8.228441
  H     -13.037777      4.144798     10.132023
  H     -10.606081      4.316382      9.731572
  N      -5.825044      4.275033      4.767549
  N      -6.953933      4.867563      4.543045
  H      -7.706638      4.751867      5.279055
  H      -7.236428      4.962619      3.567963
99
Coordinates from ORCA-job orca E -6259.120404358819
  N      -3.714393      2.320544      3.979018
  Mo     -4.369168      3.550359      5.383633
  N      -5.174086      2.676197      6.965424
  C      -4.294939      2.151752      8.004636
  C      -3.006259      1.663972      7.361902
  N      -2.519992      2.684498      6.401978
  C      -1.691413      2.100134      5.317087
  C      -2.590044      1.437577      4.285186
  C      -1.841155      3.816653      7.077771
  C      -1.952966      5.062620      6.213614
  N      -3.327019      5.208576      5.737214
  H      -2.000538      1.243320      3.369255
  H      -2.934901      0.448585      4.646389
  H      -1.151776      2.930137      4.840964
  H      -0.947292      1.395990      5.729798
  H      -1.665243      5.941753      6.820427
  H      -1.229667      5.019459      5.375116
  H      -2.363118      3.992694      8.028344
  H      -0.790233      3.561011      7.301656
  H      -4.774938      1.303143      8.523778
  H      -4.082508      2.911894      8.782731
  H      -3.217136      0.751297      6.788291
  H      -2.229661      1.432204      8.111909
  C      -4.368018      2.014507      2.710435
  C      -5.178925      0.715508      2.730969
  C      -5.761690      0.371683      1.343670
  C      -4.704856      0.054926      0.323279
  N      -4.418361      0.998780     -0.582890
  C      -3.427250      0.732762     -1.466750
  N      -2.677295     -0.355244     -1.548373
  C      -2.958356     -1.342317     -0.640635
  C      -2.209309     -2.541050     -0.671757
  C      -2.480350     -3.558625      0.227653
  C      -3.508663     -3.414357      1.181850
  C      -4.255445     -2.250887      1.237431
  C      -3.996883     -1.186771      0.334735
  C      -3.681537      6.588142      5.412201
  C      -2.997028      7.147214      4.154422
  C      -3.464741      6.475985      2.864449
  C      -4.883344      6.807795      2.469868
  N      -5.469647      7.850499      3.056082
  C      -6.753738      8.121568      2.716851
  N      -7.532718      7.456586      1.881216
  C      -6.950885      6.385041      1.253672
  C      -7.720973      5.608495      0.353672
  C      -7.152268      4.528395     -0.297772
  C      -5.798143      4.190670     -0.084817
  C      -5.026158      4.930972      0.792712
  C      -5.583211      6.029476      1.495460
  C      -6.580573      2.796746      7.360742
  C      -6.950224      4.181895      7.903763
  C      -8.392981      4.284171      8.396824
  C      -9.485761      4.154174      7.367299
  N      -9.171953      4.134416      6.058975
  C     -10.181897      4.008944      5.165871
  N     -11.472867      3.884285      5.413939
  C     -11.834090      3.922494      6.740611
  C     -13.198173      3.815206      7.085835
  C     -13.592855      3.863446      8.417760
  C     -12.635759      4.021640      9.436726
  C     -11.286618      4.126553      9.126268
  C     -10.852881      4.073236      7.775717
  H      -3.602120      1.956532      1.913429
  H      -5.034155      2.847379      2.452806
  H      -6.001309      0.822648      3.456500
  H      -4.548085     -0.118600      3.076884
  H      -6.446155     -0.484899      1.450240
  H      -6.351027      1.222425      0.971567
  H      -3.223318      1.523822     -2.196841
  H      -1.425451     -2.634388     -1.424590
  H      -1.900325     -4.481802      0.195645
  H      -3.717914     -4.228714      1.877668
  H      -5.053500     -2.154568      1.975046
  H      -4.769420      6.652798      5.289516
  H      -3.412782      7.232898      6.272291
  H      -1.905137      7.034397      4.243708
  H      -3.206845      8.225708      4.105075
  H      -2.798166      6.757450      2.028261
  H      -3.366280      5.380888      2.961230
  H      -7.195914      8.993125      3.210894
  H      -8.761879      5.893815      0.194690
  H      -7.751856      3.929848     -0.986306
  H      -5.368308      3.318473     -0.582171
  H      -3.984492      4.655065      0.959269
  H      -6.798721      2.037276      8.134139
  H      -7.216297      2.563961      6.496597
  H      -6.282548      4.425177      8.744987
  H      -6.754868      4.933246      7.124852
  H      -8.563298      3.523775      9.179334
  H      -8.527733      5.252582      8.913084
  H      -9.877457      4.008664      4.112306
  H     -13.921766      3.698972      6.277743
  H     -14.649665      3.780825      8.675806
  H     -12.956632      4.062189     10.479382
  H     -10.557609      4.253453      9.926750
  N      -5.829569      4.279006      4.663818
  N      -6.951485      4.874323      4.389184
  H      -7.751118      4.721820      5.072388
  H      -7.174393      4.993806      3.397763
99
Coordinates from ORCA-job orca E -6259.119818374422
  N      -3.714430      2.300120      3.969452
  Mo     -4.392076      3.511292      5.378187
  N      -5.194682      2.622337      6.950928
  C      -4.313000      2.095976      7.989772
  C      -3.015466      1.627925      7.347829
  N      -2.535981      2.664329      6.399126
  C      -1.692910      2.099797      5.314452
  C      -2.578565      1.431508      4.275538
  C      -1.876840      3.801333      7.087482
  C      -2.000351      5.050912      6.230218
  N      -3.373738      5.181459      5.746123
  H      -1.983082      1.250562      3.362464
  H      -2.911497      0.437425      4.629337
  H      -1.162761      2.940746      4.845966
  H      -0.940441      1.403322      5.726327
  H      -1.728139      5.929493      6.842623
  H      -1.271499      5.021630      5.396974
  H      -2.407391      3.963423      8.035999
  H      -0.823703      3.558733      7.316313
  H      -4.787073      1.237990      8.501857
  H      -4.109687      2.853088      8.775304
  H      -3.213073      0.717544      6.764571
  H      -2.239705      1.398251      8.099562
  C      -4.358232      1.992274      2.696016
  C      -5.149477      0.681939      2.704059
  C      -5.718749      0.334890      1.311771
  C      -4.652851      0.038436      0.295247
  N      -4.378261      0.989610     -0.605890
  C      -3.380353      0.743380     -1.486478
  N      -2.613222     -0.330822     -1.569403
  C      -2.881315     -1.326530     -0.666629
  C      -2.110564     -2.513864     -0.698815
  C      -2.367568     -3.539382      0.196202
  C      -3.403347     -3.414923      1.146980
  C      -4.170635     -2.262782      1.203213
  C      -3.925943     -1.191443      0.305183
  C      -3.745046      6.557189      5.428081
  C      -3.062503      7.131681      4.175895
  C      -3.516273      6.460211      2.882137
  C      -4.938693      6.771782      2.485256
  N      -5.546853      7.801948      3.078363
  C      -6.834246      8.051340      2.739205
  N      -7.597471      7.376862      1.898939
  C      -6.996555      6.321867      1.264243
  C      -7.752862      5.541148      0.357449
  C      -7.164207      4.476827     -0.302391
  C      -5.802865      4.159857     -0.089907
  C      -5.045898      4.906846      0.794427
  C      -5.623221      5.988870      1.504149
  C      -6.599217      2.764235      7.347586
  C      -6.932603      4.157792      7.900155
  C      -8.370326      4.302246      8.398063
  C      -9.475094      4.248708      7.372020
  N      -9.180494      4.289506      6.060271
  C     -10.208620      4.223556      5.179527
  N     -11.496105      4.111815      5.441931
  C     -11.835938      4.100480      6.772365
  C     -13.196378      4.008270      7.133859
  C     -13.569153      4.005249      8.471210
  C     -12.592869      4.095112      9.479884
  C     -11.247535      4.183136      9.152957
  C     -10.836375      4.182597      7.796209
  H      -3.587598      1.950179      1.901903
  H      -5.035098      2.816717      2.440606
  H      -5.977430      0.773267      3.425001
  H      -4.508740     -0.142780      3.049140
  H      -6.389422     -0.532175      1.410964
  H      -6.319402      1.177592      0.939420
  H      -3.186513      1.540216     -2.212743
  H      -1.321643     -2.591412     -1.448736
  H      -1.770639     -4.453491      0.163745
  H      -3.601316     -4.234843      1.839646
  H      -4.971921     -2.181721      1.938046
  H      -4.834698      6.609274      5.300401
  H      -3.488975      7.199176      6.292966
  H      -1.969450      7.033785      4.268931
  H      -3.287592      8.205936      4.129860
  H      -2.852853      6.755299      2.050335
  H      -3.401972      5.367642      2.974507
  H      -7.293234      8.911787      3.238452
  H      -8.798850      5.810203      0.199730
  H      -7.752339      3.873800     -0.996616
  H      -5.355459      3.298549     -0.594302
  H      -3.999175      4.648491      0.959603
  H      -6.833509      2.003737      8.116694
  H      -7.239962      2.552668      6.480244
  H      -6.256433      4.373503      8.744332
  H      -6.714605      4.912160      7.128394
  H      -8.566896      3.526715      9.160246
  H      -8.466239      5.259550      8.943930
  H      -9.926820      4.256647      4.121044
  H     -13.934986      3.944428      6.333440
  H     -14.624216      3.934674      8.742838
  H     -12.896791      4.095040     10.527959
  H     -10.503038      4.255742      9.946221
  N      -5.863150      4.222212      4.665047
  N      -7.005583      4.792100      4.402777
  H      -7.812373      4.529524      5.038902
  H      -7.209538      4.971406      3.414350
99
Coordinates from ORCA-job orca E -6259.120745150245
  N      -3.720187      2.314114      3.971570
  Mo     -4.382813      3.535520      5.379522
  N      -5.187015      2.654402      6.957473
  C      -4.306817      2.126257      7.995060
  C      -3.015580      1.645964      7.351140
  N      -2.531692      2.673501      6.396825
  C      -1.698047      2.097550      5.311209
  C      -2.592917      1.434461      4.276742
  C      -1.859253      3.806199      7.078679
  C      -1.974517      5.054957      6.218950
  N      -3.348379      5.197043      5.740450
  H      -2.001864      1.244177      3.361683
  H      -2.934563      0.443997      4.635210
  H      -1.161917      2.931967      4.838517
  H      -0.951071      1.395444      5.722712
  H      -1.691505      5.932546      6.829295
  H      -1.249440      5.017675      5.382095
  H      -2.384159      3.976345      8.028779
  H      -0.807673      3.554268      7.304003
  H      -4.785137      1.273398      8.509900
  H      -4.096815      2.883431      8.777510
  H      -3.222507      0.735155      6.772602
  H      -2.238994      1.413118      8.100893
  C      -4.368882      2.011519      2.699541
  C      -5.174694      0.709557      2.711740
  C      -5.746283      0.364583      1.319917
  C      -4.681075      0.053378      0.306673
  N      -4.393665      0.998764     -0.597107
  C      -3.395122      0.738725     -1.473941
  N      -2.638852     -0.344310     -1.550667
  C      -2.920880     -1.333973     -0.645706
  C      -2.164165     -2.528855     -0.671737
  C      -2.435631     -3.548485      0.225430
  C      -3.472114     -3.410291      1.172265
  C      -4.226209     -2.250427      1.222769
  C      -3.967089     -1.184522      0.322420
  C      -3.708917      6.575609      5.420005
  C      -3.026277      7.141634      4.164321
  C      -3.486864      6.468802      2.873084
  C      -4.908493      6.787584      2.478604
  N      -5.509544      7.817958      3.073525
  C      -6.796792      8.074917      2.735724
  N      -7.565545      7.406515      1.894419
  C      -6.969352      6.348638      1.257554
  C      -7.728473      5.572069      0.349016
  C      -7.144809      4.506392     -0.313079
  C      -5.786156      4.183883     -0.101657
  C      -5.025182      4.925347      0.784167
  C      -5.597452      6.008978      1.496605
  C      -6.590915      2.788789      7.356678
  C      -6.939936      4.176090      7.909032
  C      -8.378699      4.294334      8.408734
  C      -9.475714      4.187503      7.380706
  N      -9.166045      4.177021      6.071847
  C     -10.180814      4.066268      5.181821
  N     -11.471329      3.950443      5.433150
  C     -11.827572      3.983320      6.760359
  C     -13.191374      3.886352      7.109271
  C     -13.580806      3.928244      8.442151
  C     -12.618599      4.069224      9.458800
  C     -11.269951      4.163356      9.144693
  C     -10.841671      4.116860      7.792963
  H      -3.600032      1.959627      1.904793
  H      -5.037155      2.842950      2.443208
  H      -6.002396      0.812166      3.431742
  H      -4.543117     -0.121896      3.060805
  H      -6.427344     -0.494868      1.420959
  H      -6.336501      1.213131      0.944131
  H      -3.190600      1.531240     -2.202244
  H      -1.374075     -2.617248     -1.418876
  H      -1.849563     -4.468703      0.197539
  H      -3.681597     -4.225829      1.866662
  H      -5.029435     -2.158383      1.954872
  H      -4.797624      6.635866      5.296524
  H      -3.443781      7.218500      6.282174
  H      -1.933655      7.036952      4.255143
  H      -3.244344      8.218029      4.115895
  H      -2.822943      6.757933      2.038265
  H      -3.378232      5.375039      2.968028
  H      -7.250965      8.936514      3.236635
  H      -8.772998      5.845724      0.191845
  H      -7.735886      3.907336     -1.008368
  H      -5.343646      3.322658     -0.608203
  H      -3.979667      4.662491      0.948461
  H      -6.818338      2.026254      8.124889
  H      -7.230851      2.571825      6.490844
  H      -6.264782      4.406836      8.748748
  H      -6.738912      4.929364      7.132631
  H      -8.556918      3.529827      9.185806
  H      -8.498306      5.260518      8.933226
  H      -9.881365      4.066730      4.127193
  H     -13.918876      3.782915      6.302894
  H     -14.637778      3.853793      8.703349
  H     -12.935539      4.104720     10.502680
  H     -10.536837      4.276585      9.943563
  N      -5.846378      4.261035      4.662816
  N      -6.976108      4.848607      4.392924
  H      -7.780559      4.658089      5.058107
  H      -7.190560      4.995092      3.402454
99
Coordinates from ORCA-job orca E -6259.120740781029
  N      -3.722052      2.306409      3.969242
  Mo     -4.387014      3.525640      5.377925
  N      -5.193121      2.644402      6.954241
  C      -4.314833      2.118286      7.994447
  C      -3.022405      1.637565      7.352523
  N      -2.537511      2.664296      6.397444
  C      -1.702541      2.088032      5.312714
  C      -2.596349      1.425409      4.276654
  C      -1.865999      3.797519      7.079504
  C      -1.980969      5.046267      6.219672
  N      -3.354670      5.188064      5.740743
  H      -2.003923      1.233649      3.362835
  H      -2.939628      0.435487      4.635084
  H      -1.165642      2.922408      4.840718
  H      -0.956330      1.385682      5.725293
  H      -1.698344      5.923670      6.830463
  H      -1.255504      5.009326      5.383122
  H      -2.391719      3.967893      8.029130
  H      -0.814560      3.545938      7.305850
  H      -4.793836      1.265881      8.509588
  H      -4.106337      2.876713      8.776176
  H      -3.228312      0.725892      6.774893
  H      -2.246623      1.405786      8.103465
  C      -4.365310      2.009531      2.693140
  C      -5.173252      0.708873      2.696617
  C      -5.732675      0.365964      1.299168
  C      -4.658379      0.054923      0.295476
  N      -4.362592      1.000616     -0.604994
  C      -3.355677      0.741194     -1.472466
  N      -2.598659     -0.341275     -1.542574
  C      -2.889273     -1.331705     -0.641207
  C      -2.132411     -2.526559     -0.661068
  C      -2.412467     -3.546953      0.232474
  C      -3.458015     -3.409596      1.169429
  C      -4.212510     -2.249685      1.213739
  C      -3.944738     -1.183041      0.316967
  C      -3.715468      6.566468      5.420014
  C      -3.032030      7.132141      4.164507
  C      -3.492239      6.459758      2.872883
  C      -4.911240      6.784918      2.473757
  N      -5.510043      7.817780      3.066562
  C      -6.794768      8.081340      2.723181
  N      -7.562820      7.416979      1.878277
  C      -6.968594      6.356367      1.243223
  C      -7.727370      5.583586      0.331499
  C      -7.145900      4.515557     -0.328420
  C      -5.789688      4.186962     -0.111548
  C      -5.028988      4.924659      0.777463
  C      -5.599454      6.010309      1.487811
  C      -6.598140      2.784692      7.347675
  C      -6.944477      4.178487      7.885893
  C      -8.380409      4.305468      8.392452
  C      -9.488872      4.199527      7.375129
  N      -9.197672      4.192304      6.061468
  C     -10.225963      4.080408      5.186233
  N     -11.512642      3.963128      5.456147
  C     -11.849754      3.996015      6.788009
  C     -13.208540      3.899090      7.156512
  C     -13.578679      3.940604      8.494722
  C     -12.601794      4.081128      9.497406
  C     -11.257777      4.175265      9.163800
  C     -10.849125      4.129479      7.806140
  H      -3.592680      1.959036      1.902084
  H      -5.030788      2.843025      2.436301
  H      -6.007214      0.811803      3.409273
  H      -4.546089     -0.123778      3.050748
  H      -6.415500     -0.492824      1.393185
  H      -6.318219      1.215694      0.918676
  H      -3.144479      1.534237     -2.198313
  H      -1.335162     -2.614262     -1.400691
  H      -1.826214     -4.467251      0.209425
  H      -3.674332     -4.225656      1.861067
  H      -5.022799     -2.158127      1.938049
  H      -4.804157      6.626999      5.296351
  H      -3.449986      7.209419      6.282041
  H      -1.939537      7.026368      4.256103
  H      -3.248937      8.208753      4.115844
  H      -2.824747      6.744488      2.039480
  H      -3.388932      5.365647      2.969685
  H      -7.247099      8.944835      3.222381
  H      -8.770018      5.861967      0.170268
  H      -7.737032      3.919221     -1.025940
  H      -5.349364      3.323348     -0.615948
  H      -3.985404      4.657173      0.946278
  H      -6.831278      2.028419      8.120502
  H      -7.234926      2.564017      6.480736
  H      -6.264864      4.416893      8.719948
  H      -6.745867      4.923666      7.100860
  H      -8.555901      3.545944      9.175131
  H      -8.492065      5.274372      8.913639
  H      -9.943195      4.082059      4.126825
  H     -13.947540      3.795833      6.360651
  H     -14.631841      3.866117      8.771115
  H     -12.903576      4.116179     10.545763
  H     -10.513051      4.287800      9.951999
  N      -5.854130      4.250393      4.667026
  N      -6.985746      4.838650      4.407683
  H      -7.781553      4.645034      5.081785
  H      -7.211619      4.984291      3.419788
99
Coordinates from ORCA-job orca E -6259.120800533210
  N      -3.723672      2.302360      3.967323
  Mo     -4.390514      3.520529      5.376061
  N      -5.196070      2.638825      6.952645
  C      -4.317660      2.111321      7.991883
  C      -3.025026      1.632119      7.349660
  N      -2.540729      2.659972      6.395619
  C      -1.704798      2.084789      5.311161
  C      -2.597861      1.421664      4.275029
  C      -1.870185      3.793494      7.078173
  C      -1.985885      5.042516      6.218716
  N      -3.359737      5.183565      5.739917
  H      -2.005167      1.229870      3.361480
  H      -2.940852      0.431748      4.633611
  H      -1.168689      2.919723      4.839471
  H      -0.958124      1.383085      5.723820
  H      -1.703902      5.919730      6.830023
  H      -1.260367      5.006541      5.382210
  H      -2.396218      3.963274      8.027720
  H      -0.818612      3.542584      7.304680
  H      -4.796490      1.258131      8.505862
  H      -4.109442      2.868709      8.774632
  H      -3.230268      0.720897      6.771153
  H      -2.249211      1.400129      8.100437
  C      -4.365057      2.006991      2.689918
  C      -5.171899      0.705669      2.690321
  C      -5.727102      0.363214      1.290956
  C      -4.649622      0.055921      0.289439
  N      -4.354240      1.003509     -0.609278
  C      -3.344571      0.747870     -1.474628
  N      -2.584449     -0.332461     -1.544074
  C      -2.874548     -1.324844     -0.644573
  C      -2.114367     -2.517688     -0.664040
  C      -2.393840     -3.540053      0.227540
  C      -3.442112     -3.406734      1.162013
  C      -4.199910     -2.248819      1.205896
  C      -3.932761     -1.180233      0.311172
  C      -3.723155      6.561869      5.421814
  C      -3.045070      7.129808      4.164506
  C      -3.506651      6.455448      2.874454
  C      -4.928973      6.772621      2.480926
  N      -5.533212      7.798720      3.079572
  C      -6.820954      8.054046      2.741504
  N      -7.586916      7.387319      1.896669
  C      -6.987072      6.333666      1.255437
  C      -7.742827      5.559661      0.342307
  C      -7.155403      4.498770     -0.324271
  C      -5.796225      4.179100     -0.112762
  C      -5.038395      4.918250      0.777558
  C      -5.614811      5.996559      1.494405
  C      -6.599339      2.783939      7.350116
  C      -6.937095      4.174979      7.900651
  C      -8.372498      4.305152      8.407305
  C      -9.477495      4.210465      7.385668
  N      -9.179215      4.206386      6.073751
  C     -10.202979      4.106955      5.192158
  N     -11.491883      3.997963      5.454298
  C     -11.836195      4.025965      6.784592
  C     -13.197656      3.936671      7.144979
  C     -13.575014      3.974183      8.481360
  C     -12.602891      4.103263      9.490223
  C     -11.256386      4.189850      9.164695
  C     -10.840425      4.147457      7.809129
  H      -3.591402      1.958265      1.899717
  H      -5.030890      2.840332      2.433508
  H      -6.008033      0.807300      3.400712
  H      -4.544895     -0.126546      3.045810
  H      -6.408433     -0.497067      1.382210
  H      -6.313373      1.212212      0.909934
  H      -3.133847      1.542364     -2.199027
  H      -1.315041     -2.602306     -1.401780
  H      -1.804991     -4.458769      0.204827
  H      -3.658013     -4.224281      1.852061
  H      -5.012315     -2.160352      1.928182
  H      -4.812290      6.620875      5.301679
  H      -3.455889      7.204393      6.283603
  H      -1.951945      7.028022      4.252968
  H      -3.266087      8.205591      4.116403
  H      -2.843817      6.743711      2.038564
  H      -3.397264      5.361835      2.970655
  H      -7.277930      8.912271      3.245576
  H      -8.787851      5.831350      0.185166
  H      -7.744133      3.901531     -1.023030
  H      -5.350881      3.321397     -0.622797
  H      -3.992276      4.658074      0.941850
  H      -6.835282      2.022940      8.117333
  H      -7.238947      2.573344      6.482687
  H      -6.255932      4.402967      8.736287
  H      -6.734831      4.925347      7.121767
  H      -8.553161      3.541189      9.184349
  H      -8.480672      5.271281      8.934305
  H      -9.913958      4.113903      4.134609
  H     -13.932882      3.842545      6.344450
  H     -14.630214      3.905694      8.751467
  H     -12.910370      4.135502     10.537023
  H     -10.515418      4.293804      9.957611
  N      -5.857322      4.244672      4.663306
  N      -6.988637      4.832829      4.401678
  H      -7.787034      4.645314      5.077262
  H      -7.213519      4.976187      3.413104
99
Coordinates from ORCA-job orca E -6259.120767242164
  N      -3.737258      2.295145      3.968417
  Mo     -4.405518      3.511644      5.377842
  N      -5.206325      2.629385      6.956877
  C      -4.325591      2.102542      7.994265
  C      -3.033370      1.625930      7.349552
  N      -2.552938      2.655253      6.395174
  C      -1.716494      2.082332      5.309744
  C      -2.609494      1.416697      4.275141
  C      -1.884800      3.790378      7.077525
  C      -2.004067      5.039283      6.218428
  N      -3.378354      5.177240      5.739870
  H      -2.017840      1.224856      3.360906
  H      -2.950238      0.426527      4.635318
  H      -1.183446      2.918825      4.837126
  H      -0.967369      1.382722      5.721689
  H      -1.723883      5.916983      6.829862
  H      -1.278763      5.005214      5.381671
  H      -2.410692      3.958812      8.027404
  H      -0.832502      3.542016      7.303392
  H      -4.802412      1.248226      8.508453
  H      -4.117337      2.859800      8.777233
  H      -3.237754      0.714498      6.770996
  H      -2.255760      1.395194      8.098849
  C      -4.378861      1.999249      2.691368
  C      -5.180407      0.694651      2.691167
  C      -5.733981      0.350104      1.291786
  C      -4.655035      0.052337      0.288942
  N      -4.368367      1.003263     -0.609005
  C      -3.357077      0.757003     -1.475308
  N      -2.587767     -0.316732     -1.546272
  C      -2.869025     -1.312551     -0.647770
  C      -2.098872     -2.498821     -0.669019
  C      -2.369359     -3.524560      0.221442
  C      -3.418318     -3.401258      1.156506
  C      -4.185714     -2.249798      1.202213
  C      -3.927928     -1.177910      0.308753
  C      -3.744818      6.554762      5.422110
  C      -3.060587      7.128641      4.170615
  C      -3.506882      6.455357      2.874666
  C      -4.926964      6.765674      2.467919
  N      -5.547504      7.779167      3.071331
  C      -6.833649      8.026673      2.721106
  N      -7.583301      7.363153      1.859259
  C      -6.965846      6.323318      1.211863
  C      -7.702920      5.554782      0.279113
  C      -7.096927      4.509424     -0.395148
  C      -5.737204      4.200270     -0.171642
  C      -4.997647      4.933730      0.738631
  C      -5.593565      5.995968      1.463252
  C      -6.607047      2.780009      7.360621
  C      -6.935425      4.170522      7.918330
  C      -8.367878      4.304832      8.431771
  C      -9.475715      4.214732      7.413092
  N      -9.179622      4.207272      6.100578
  C     -10.204857      4.113111      5.220555
  N     -11.493826      4.010182      5.484849
  C     -11.835998      4.040233      6.815796
  C     -13.197241      3.956727      7.178352
  C     -13.572472      3.996811      8.515315
  C     -12.598406      4.122822      9.522570
  C     -11.251977      4.203645      9.194960
  C     -10.838205      4.158200      7.838828
  H      -3.606181      1.954619      1.900058
  H      -5.048330      2.830231      2.437066
  H      -6.017120      0.792535      3.401264
  H      -4.550104     -0.134916      3.046855
  H      -6.409189     -0.515038      1.382329
  H      -6.326213      1.195552      0.912254
  H      -3.153761      1.553996     -2.199073
  H      -1.299218     -2.575796     -1.407253
  H      -1.772885     -4.438245      0.197378
  H      -3.627207     -4.221390      1.845616
  H      -4.998625     -2.168972      1.924844
  H      -4.833491      6.610697      5.296191
  H      -3.484200      7.196217      6.286673
  H      -1.967609      7.033071      4.267753
  H      -3.287184      8.203310      4.123184
  H      -2.837760      6.749441      2.045937
  H      -3.392296      5.362063      2.968645
  H      -7.304631      8.874355      3.230142
  H      -8.748499      5.818797      0.112599
  H      -7.671160      3.916891     -1.109829
  H      -5.276749      3.355231     -0.689248
  H      -3.950761      4.682068      0.911679
  H      -6.844284      2.016840      8.125382
  H      -7.250908      2.576510      6.494662
  H      -6.248796      4.393054      8.750971
  H      -6.734249      4.922626      7.140702
  H      -8.548394      3.540273      9.208300
  H      -8.470791      5.270762      8.960316
  H      -9.916925      4.118330      4.162727
  H     -13.933983      3.865038      6.378998
  H     -14.627528      3.932848      8.787074
  H     -12.904227      4.157220     10.569769
  H     -10.509474      4.305317      9.986649
  N      -5.876152      4.232348      4.668644
  N      -7.009353      4.818546      4.411296
  H      -7.805419      4.636900      5.093725
  H      -7.239410      4.958881      3.423518
99
Coordinates from ORCA-job orca E -6259.120820661965
  N      -3.734452      2.294019      3.960840
  Mo     -4.405832      3.506920      5.371837
  N      -5.210308      2.622780      6.947983
  C      -4.332265      2.094318      7.986653
  C      -3.039123      1.617552      7.343953
  N      -2.556121      2.647389      6.391422
  C      -1.718092      2.074627      5.307091
  C      -2.609826      1.412180      4.269395
  C      -1.887787      3.781161      7.075910
  C      -2.005039      5.031347      6.218297
  N      -3.379063      5.171311      5.739624
  H      -2.016217      1.219928      3.356621
  H      -2.953856      0.422446      4.627475
  H      -1.182800      2.910935      4.836884
  H      -0.971051      1.373329      5.719781
  H      -1.724236      5.907737      6.831291
  H      -1.279402      4.997798      5.381832
  H      -2.414624      3.949032      8.025358
  H      -0.835980      3.531551      7.302724
  H      -4.810844      1.239786      8.498849
  H      -4.125175      2.850551      8.770880
  H      -3.243000      0.706816      6.764170
  H      -2.263086      1.385535      8.094443
  C      -4.369106      2.006533      2.678325
  C      -5.175498      0.704969      2.667013
  C      -5.714644      0.364123      1.260926
  C      -4.625678      0.061450      0.270273
  N      -4.325032      1.010728     -0.624882
  C      -3.304871      0.760014     -1.479411
  N      -2.539013     -0.316674     -1.540942
  C      -2.834641     -1.311078     -0.645411
  C      -2.068973     -2.500446     -0.657235
  C      -2.353907     -3.524840      0.230349
  C      -3.413259     -3.397059      1.152982
  C      -4.176550     -2.242412      1.189365
  C      -3.903999     -1.171815      0.298721
  C      -3.745480      6.549486      5.424985
  C      -3.068562      7.122155      4.169132
  C      -3.522760      6.445649      2.877717
  C      -4.945657      6.754086      2.479600
  N      -5.562778      7.768931      3.083804
  C      -6.851666      8.014030      2.741846
  N      -7.606739      7.346805      1.887808
  C      -6.993011      6.305015      1.239946
  C      -7.736001      5.532527      0.315296
  C      -7.134203      4.484149     -0.358295
  C      -5.773169      4.175924     -0.141969
  C      -5.027658      4.913671      0.759916
  C      -5.618923      5.979487      1.483087
  C      -6.610504      2.779952      7.350862
  C      -6.931606      4.171655      7.909898
  C      -8.362499      4.312569      8.425861
  C      -9.472805      4.227777      7.409262
  N      -9.179897      4.218572      6.095927
  C     -10.207584      4.129007      5.218280
  N     -11.496278      4.031468      5.485516
  C     -11.835215      4.063401      6.817226
  C     -13.195897      3.985451      7.182918
  C     -13.567866      4.027499      8.520771
  C     -12.590989      4.149928      9.525722
  C     -11.244982      4.225181      9.194993
  C     -10.834574      4.177563      7.837958
  H      -3.591377      1.962330      1.891972
  H      -5.033698      2.841259      2.423196
  H      -6.019784      0.804947      3.367878
  H      -4.552350     -0.127405      3.028783
  H      -6.395030     -0.497788      1.343251
  H      -6.298301      1.212676      0.874984
  H      -3.090205      1.555854     -2.201166
  H      -1.261064     -2.580877     -1.386058
  H      -1.760805     -4.440963      0.213589
  H      -3.633565     -4.216097      1.839859
  H      -4.997580     -2.157990      1.902315
  H      -4.834739      6.606545      5.305073
  H      -3.479166      7.190507      6.288150
  H      -1.974987      7.027149      4.259954
  H      -3.296149      8.196598      4.121214
  H      -2.859020      6.736977      2.043726
  H      -3.407661      5.352585      2.974375
  H      -7.319783      8.863136      3.251113
  H      -8.782758      5.795461      0.154748
  H      -7.713128      3.888218     -1.066286
  H      -5.316363      3.328124     -0.658047
  H      -3.979763      4.662815      0.927575
  H      -6.852817      2.016778      8.114067
  H      -7.254499      2.581602      6.483928
  H      -6.242245      4.390816      8.741136
  H      -6.728539      4.923129      7.132085
  H      -8.545170      3.548842      9.202658
  H      -8.459907      5.278862      8.954693
  H      -9.922053      4.131992      4.159836
  H     -13.934854      3.896434      6.385249
  H     -14.622557      3.967840      8.794983
  H     -12.894229      4.185875     10.573627
  H     -10.500197      4.324042      9.984952
  N      -5.875672      4.230613      4.663403
  N      -7.008170      4.818874      4.408944
  H      -7.803535      4.639531      5.093945
  H      -7.240097      4.960935      3.421865
99
Coordinates from ORCA-job orca E -6259.120825369504
  N      -3.733946      2.289175      3.959497
  Mo     -4.407102      3.502119      5.369510
  N      -5.213256      2.619261      6.945702
  C      -4.336353      2.091215      7.985531
  C      -3.042648      1.613789      7.344343
  N      -2.558610      2.642764      6.391334
  C      -1.719550      2.068922      5.308277
  C      -2.610528      1.406432      4.269972
  C      -1.890393      3.776860      7.075426
  C      -2.006962      5.026553      6.216987
  N      -3.380871      5.166544      5.738062
  H      -2.016063      1.212868      3.358030
  H      -2.955936      0.417321      4.628483
  H      -1.183387      2.904724      4.838122
  H      -0.973319      1.367545      5.722310
  H      -1.726117      5.903176      6.829659
  H      -1.281159      4.992423      5.380675
  H      -2.417685      3.945496      8.024481
  H      -0.838773      3.527152      7.302948
  H      -4.815665      1.237050      8.497677
  H      -4.130037      2.847815      8.769611
  H      -3.246138      0.702629      6.765090
  H      -2.267268      1.382206      8.095647
  C      -4.366622      2.002614      2.675820
  C      -5.172773      0.700931      2.662166
  C      -5.708097      0.360297      1.254643
  C      -4.616579      0.059330      0.266252
  N      -4.315222      1.009446     -0.627830
  C      -3.292699      0.760509     -1.480076
  N      -2.524993     -0.315005     -1.540169
  C      -2.821360     -1.310230     -0.645800
  C      -2.054026     -2.498478     -0.656386
  C      -2.339775     -3.523769      0.229899
  C      -3.401642     -3.398063      1.149885
  C      -4.166609     -2.244516      1.185052
  C      -3.893271     -1.172983      0.295777
  C      -3.748161      6.544976      5.425596
  C      -3.073692      7.119517      4.169271
  C      -3.529381      6.444003      2.877889
  C      -4.952907      6.752168      2.481784
  N      -5.570262      7.765336      3.088433
  C      -6.859683      8.010093      2.747955
  N      -7.614832      7.344056      1.893023
  C      -7.000677      6.304220      1.242354
  C      -7.743475      5.533542      0.316002
  C      -7.141156      4.487204     -0.360283
  C      -5.779802      4.179466     -0.145272
  C      -5.034369      4.915819      0.757848
  C      -5.626240      5.979208      1.484002
  C      -6.613186      2.779772      7.348491
  C      -6.931111      4.172519      7.907059
  C      -8.361129      4.316900      8.424710
  C      -9.473504      4.234613      7.410067
  N      -9.183576      4.225705      6.095922
  C     -10.213229      4.137527      5.220489
  N     -11.501532      4.042138      5.490460
  C     -11.837523      4.074378      6.822926
  C     -13.197460      3.998325      7.191547
  C     -13.566502      4.040513      8.530256
  C     -12.587322      4.161296      9.533079
  C     -11.241902      4.234707      9.199433
  C     -10.834482      4.186799      7.841509
  H      -3.587818      1.959137      1.890498
  H      -5.030954      2.837397      2.420448
  H      -6.019024      0.800628      3.360664
  H      -4.550508     -0.131343      3.025650
  H      -6.387903     -0.502288      1.334895
  H      -6.291562      1.208504      0.867710
  H      -3.077543      1.556953     -2.201024
  H      -1.244199     -2.577374     -1.383236
  H      -1.745373     -4.439017      0.214118
  H      -3.622632     -4.217827      1.835669
  H      -4.989683     -2.161683      1.895833
  H      -4.837605      6.601924      5.307555
  H      -3.480501      7.185056      6.289051
  H      -1.979886      7.025478      4.258329
  H      -3.302422      8.193810      4.122907
  H      -2.866730      6.735850      2.043214
  H      -3.413997      5.350857      2.973664
  H      -7.328179      8.857603      3.259520
  H      -8.790508      5.796065      0.156483
  H      -7.720015      3.892432     -1.069330
  H      -5.322817      3.332556     -0.662784
  H      -3.986267      4.665305      0.924597
  H      -6.857298      2.017337      8.111908
  H      -7.257632      2.582776      6.481719
  H      -6.240262      4.390719      8.737282
  H      -6.727376      4.923178      7.128581
  H      -8.544438      3.553739      9.201965
  H      -8.455502      5.283482      8.953574
  H      -9.929874      4.140877      4.161430
  H     -13.938249      3.910571      6.395459
  H     -14.620665      3.982270      8.806732
  H     -12.888230      4.197438     10.581649
  H     -10.495245      4.332310      9.987779
  N      -5.876461      4.226594      4.660572
  N      -7.008325      4.815944      4.407236
  H      -7.802211      4.641891      5.095092
  H      -7.242041      4.956635      3.420454
99
Coordinates from ORCA-job orca E -6259.120829187481
  N      -3.737397      2.286548      3.955653
  Mo     -4.413974      3.496649      5.366280
  N      -5.220734      2.613084      6.942179
  C      -4.344475      2.084654      7.982282
  C      -3.050140      1.608194      7.341780
  N      -2.566070      2.637791      6.389469
  C      -1.725375      2.064600      5.307198
  C      -2.615136      1.402748      4.267448
  C      -1.899056      3.772036      7.074564
  C      -2.015947      5.021995      6.216571
  N      -3.389863      5.161587      5.737427
  H      -2.019611      1.208878      3.356296
  H      -2.961829      0.413901      4.625394
  H      -1.188850      2.900751      4.838090
  H      -0.979603      1.363201      5.721960
  H      -1.735539      5.898482      6.829622
  H      -1.290033      4.988420      5.380339
  H      -2.427066      3.939999      8.023336
  H      -0.847429      3.522869      7.302619
  H      -4.823944      1.229884      8.493341
  H      -4.139308      2.840712      8.767194
  H      -3.252710      0.697157      6.762004
  H      -2.275077      1.376719      8.093420
  C      -4.366203      2.003815      2.669194
  C      -5.172861      0.702496      2.649683
  C      -5.700372      0.362961      1.238971
  C      -4.603782      0.062316      0.256021
  N      -4.298472      1.012506     -0.636673
  C      -3.271403      0.764106     -1.483567
  N      -2.502480     -0.310789     -1.539388
  C      -2.802943     -1.306143     -0.646537
  C      -2.034707     -2.493826     -0.652904
  C      -2.324618     -3.519353      0.231778
  C      -3.391693     -3.394496      1.145808
  C      -4.157617     -2.241449      1.176852
  C      -3.880034     -1.169626      0.289242
  C      -3.758060      6.540086      5.426543
  C      -3.083089      7.116731      4.171417
  C      -3.534411      6.439980      2.879245
  C      -4.957368      6.745265      2.479127
  N      -5.579258      7.756159      3.084880
  C      -6.868299      7.997801      2.740582
  N      -7.618736      7.330914      1.882167
  C      -6.999583      6.293741      1.231903
  C      -7.736968      5.522944      0.301340
  C      -7.129429      4.479268     -0.374399
  C      -5.768256      4.174281     -0.154449
  C      -5.028051      4.910822      0.752822
  C      -5.625312      5.971750      1.478126
  C      -6.619498      2.778420      7.347246
  C      -6.930959      4.171351      7.909342
  C      -8.358788      4.319941      8.431902
  C      -9.475011      4.242384      7.421132
  N      -9.190063      4.233875      6.105778
  C     -10.222990      4.149422      5.233974
  N     -11.510611      4.057557      5.508446
  C     -11.841667      4.089567      6.842180
  C     -13.200383      4.016693      7.215633
  C     -13.564533      4.058592      8.555762
  C     -12.581491      4.176108      9.555103
  C     -11.237045      4.246408      9.216658
  C     -10.834610      4.198476      7.857251
  H      -3.585113      1.962024      1.886065
  H      -5.029451      2.839533      2.414056
  H      -6.023224      0.802100      3.343192
  H      -4.553213     -0.130270      3.016499
  H      -6.380852     -0.499505      1.315027
  H      -6.281495      1.211537      0.849289
  H      -3.053174      1.560543     -2.203594
  H      -1.220845     -2.572171     -1.375291
  H      -1.729464     -4.434169      0.219288
  H      -3.616017     -4.214473      1.830255
  H      -4.984795     -2.159196      1.882906
  H      -4.847441      6.596493      5.307739
  H      -3.491286      7.179295      6.290910
  H      -1.989171      7.025873      4.262512
  H      -3.314895      8.190390      4.124904
  H      -2.869956      6.731778      2.046012
  H      -3.417786      5.347015      2.976178
  H      -7.340779      8.843272      3.251835
  H      -8.783963      5.783253      0.138070
  H      -7.704027      3.884541     -1.086937
  H      -5.307249      3.329386     -0.671550
  H      -3.980035      4.662497      0.923299
  H      -6.865658      2.015236      8.109311
  H      -7.266039      2.586147      6.481107
  H      -6.236472      4.385835      8.737457
  H      -6.727260      4.922609      7.131348
  H      -8.542022      3.556526      9.208937
  H      -8.448089      5.286248      8.962136
  H      -9.943189      4.153044      4.173962
  H     -13.944258      3.931507      6.422147
  H     -14.617838      4.002714      8.835977
  H     -12.878513      4.212175     10.604786
  H     -10.487276      4.341544     10.002363
  N      -5.884083      4.221722      4.658973
  N      -7.016090      4.811532      4.409528
  H      -7.807397      4.643670      5.101999
  H      -7.253233      4.952538      3.423668
99
Coordinates from ORCA-job orca E -6259.120830639314
  N      -3.738944      2.283294      3.953760
  Mo     -4.418154      3.492124      5.364057
  N      -5.225634      2.609029      6.940161
  C      -4.349812      2.080717      7.980704
  C      -3.055031      1.604524      7.340977
  N      -2.570699      2.634125      6.388794
  C      -1.728657      2.060955      5.307465
  C      -2.617349      1.399062      4.266863
  C      -1.904630      3.768784      7.074188
  C      -2.021689      5.018552      6.215944
  N      -3.395584      5.157566      5.736476
  H      -2.021002      1.204784      3.356368
  H      -2.964853      0.410496      4.624722
  H      -1.191797      2.897153      4.838828
  H      -0.983253      1.359735      5.723171
  H      -1.741692      5.895238      6.828862
  H      -1.295634      4.985011      5.379845
  H      -2.433262      3.936639      8.022635
  H      -0.853014      3.520125      7.302837
  H      -4.829453      1.225786      8.491406
  H      -4.145403      2.836754      8.765856
  H      -3.257009      0.693349      6.761187
  H      -2.280298      1.373348      8.093034
  C      -4.365536      2.001914      2.665904
  C      -5.171647      0.700299      2.643463
  C      -5.695378      0.361315      1.231246
  C      -4.596405      0.062298      0.250438
  N      -4.290426      1.013252     -0.641250
  C      -3.261276      0.766506     -1.486050
  N      -2.490748     -0.307316     -1.540587
  C      -2.791864     -1.303424     -0.648797
  C      -2.021957     -2.490050     -0.653869
  C      -2.312492     -3.516356      0.229725
  C      -3.381861     -3.393366      1.141324
  C      -4.149413     -2.241343      1.171134
  C      -3.871219     -1.168742      0.284648
  C      -3.765064      6.536114      5.427583
  C      -3.090348      7.115631      4.173618
  C      -3.538761      6.439057      2.880413
  C      -4.962160      6.740853      2.479398
  N      -5.588381      7.747605      3.087638
  C      -6.878079      7.985273      2.743031
  N      -7.625139      7.318149      1.881865
  C      -7.001428      6.285490      1.228793
  C      -7.734849      5.515227      0.294674
  C      -7.122586      4.476135     -0.383862
  C      -5.760597      4.175297     -0.163173
  C      -5.024214      4.911439      0.747532
  C      -5.626277      5.967786      1.475515
  C      -6.623471      2.778019      7.346771
  C      -6.930140      4.171382      7.910610
  C      -8.356548      4.323421      8.435913
  C      -9.474774      4.248250      7.427259
  N      -9.192189      4.238267      6.111404
  C     -10.226836      4.156270      5.241461
  N     -11.514194      4.067497      5.518193
  C     -11.842827      4.100887      6.852478
  C     -13.201024      4.031339      7.228324
  C     -13.562767      4.074758      8.569067
  C     -12.577741      4.190594      9.566616
  C     -11.233715      4.257611      9.225798
  C     -10.833725      4.207950      7.865736
  H      -3.583263      1.961379      1.883896
  H      -5.028750      2.837656      2.410823
  H      -6.023995      0.799234      3.334626
  H      -4.552734     -0.132382      3.011684
  H      -6.375367     -0.501740      1.305112
  H      -6.276283      1.209650      0.840716
  H      -3.042641      1.563435     -2.205413
  H      -1.206335     -2.567020     -1.374419
  H      -1.716027     -4.430341      0.218238
  H      -3.606676     -4.213958      1.824873
  H      -4.978358     -2.160477      1.875263
  H      -4.854478      6.591688      5.308479
  H      -3.499169      7.174236      6.293009
  H      -1.996266      7.027708      4.265666
  H      -3.325095      8.188699      4.128088
  H      -2.874260      6.732994      2.048003
  H      -3.419611      5.346270      2.976521
  H      -7.354283      8.827252      3.256593
  H      -8.782581      5.772238      0.130909
  H      -7.694071      3.881791     -1.099222
  H      -5.295868      3.333766     -0.682421
  H      -3.975491      4.666393      0.918439
  H      -6.871113      2.014730      8.108292
  H      -7.271561      2.588748      6.481139
  H      -6.233444      4.383449      8.737495
  H      -6.725930      4.922645      7.132669
  H      -8.540149      3.560544      9.213385
  H      -8.442482      5.290049      8.966131
  H      -9.948836      4.158198      4.180980
  H     -13.946491      3.947460      6.436194
  H     -14.615715      4.021395      8.851128
  H     -12.872833      4.227940     10.616795
  H     -10.482347      4.351536     10.010116
  N      -5.888398      4.217544      4.657075
  N      -7.020689      4.807280      4.409667
  H      -7.810875      4.642366      5.103963
  H      -7.259092      4.949915      3.424404
99
Coordinates from ORCA-job orca E -6259.120831204366
  N      -3.738574      2.282068      3.954054
  Mo     -4.419171      3.490816      5.363696
  N      -5.226743      2.608698      6.940518
  C      -4.350819      2.080831      7.981234
  C      -3.055949      1.604577      7.341866
  N      -2.571627      2.633818      6.389339
  C      -1.728980      2.060251      5.308692
  C      -2.617095      1.397904      4.267924
  C      -1.906074      3.769032      7.074326
  C      -2.023414      5.018240      6.215303
  N      -3.397398      5.156726      5.735802
  H      -2.020360      1.203444      3.357732
  H      -2.964807      0.409479      4.625929
  H      -1.191938      2.896265      4.839975
  H      -0.983746      1.359296      5.725114
  H      -1.743473      5.895434      6.827498
  H      -1.297475      4.984146      5.379129
  H      -2.434929      3.937213      8.022586
  H      -0.854413      3.520816      7.303255
  H      -4.830348      1.225967      8.492151
  H      -4.146679      2.837121      8.766197
  H      -3.257743      0.693148      6.762411
  H      -2.281279      1.373801      8.094103
  C      -4.364316      2.000659      2.665754
  C      -5.170341      0.699009      2.642594
  C      -5.693471      0.360543      1.230052
  C      -4.594261      0.061585      0.249494
  N      -4.287776      1.012787     -0.641806
  C      -3.258560      0.766027     -1.486472
  N      -2.488296     -0.308014     -1.541188
  C      -2.789858     -1.304295     -0.649744
  C      -2.020222     -2.491118     -0.654961
  C      -2.311207     -3.517609      0.228277
  C      -3.380763     -3.394626      1.139658
  C      -4.148060     -2.242435      1.169612
  C      -3.869400     -1.169639      0.283483
  C      -3.767204      6.535204      5.426956
  C      -3.091920      7.115262      4.173521
  C      -3.539526      6.439098      2.879808
  C      -4.962309      6.742025      2.477421
  N      -5.587836      7.750053      3.084335
  C      -6.876820      7.989191      2.738257
  N      -7.623850      7.322573      1.876642
  C      -7.000826      6.288744      1.224823
  C      -7.734264      5.518931      0.290335
  C      -7.122683      4.478482     -0.386793
  C      -5.761386      4.175834     -0.164358
  C      -5.024968      4.911603      0.746635
  C      -5.626366      5.969269      1.473300
  C      -6.624289      2.778040      7.347877
  C      -6.930290      4.171158      7.912717
  C      -8.356459      4.323225      8.438597
  C      -9.474852      4.248397      7.430198
  N      -9.192191      4.238797      6.114449
  C     -10.226831      4.157619      5.244430
  N     -11.514244      4.069207      5.521040
  C     -11.842919      4.101944      6.855330
  C     -13.201157      4.032626      7.231081
  C     -13.562940      4.075444      8.571825
  C     -12.577910      4.190460      9.569495
  C     -11.233869      4.257241      9.228773
  C     -10.833819      4.208148      7.868693
  H      -3.581555      1.960265      1.884211
  H      -5.027458      2.836370      2.410363
  H      -6.023067      0.797745      3.333337
  H      -4.551591     -0.133771      3.010884
  H      -6.373678     -0.502405      1.303368
  H      -6.274134      1.209056      0.839538
  H      -3.039509      1.563094     -2.205565
  H      -1.204442     -2.568113     -1.375323
  H      -1.714928     -4.431711      0.216671
  H      -3.605897     -4.215381      1.822912
  H      -4.977140     -2.161562      1.873581
  H      -4.856548      6.590597      5.307256
  H      -3.501914      7.173174      6.292687
  H      -1.997872      7.027639      4.266204
  H      -3.326978      8.188282      4.128290
  H      -2.873960      6.732517      2.048060
  H      -3.421345      5.346194      2.975966
  H      -7.352468      8.832047      3.250905
  H      -8.781453      5.777262      0.125204
  H      -7.694162      3.884401     -1.102383
  H      -5.297355      3.333127     -0.682302
  H      -3.976830      4.665060      0.918951
  H      -6.871693      2.014471      8.109180
  H      -7.273015      2.589438      6.482560
  H      -6.233333      4.382445      8.739573
  H      -6.726032      4.922817      7.135187
  H      -8.539925      3.560189      9.215927
  H      -8.442065      5.289770      8.969013
  H      -9.948848      4.160206      4.183961
  H     -13.946651      3.949422      6.438901
  H     -14.615915      4.022254      8.853795
  H     -12.873011      4.227369     10.619690
  H     -10.482489      4.350583     10.013151
  N      -5.889405      4.215910      4.656316
  N      -7.022054      4.805013      4.409403
  H      -7.811784      4.641493      5.104159
  H      -7.260666      4.948900      3.424413
99
Coordinates from ORCA-job orca E -6259.120831928964
  N      -3.737377      2.282895      3.954525
  Mo     -4.418248      3.491931      5.363777
  N      -5.226228      2.610659      6.940923
  C      -4.350324      2.082863      7.981754
  C      -3.055556      1.606106      7.342574
  N      -2.570819      2.634953      6.389848
  C      -1.728071      2.060905      5.309556
  C      -2.616062      1.398593      4.268672
  C      -1.905185      3.770283      7.074591
  C      -2.022341      5.019216      6.215140
  N      -3.396360      5.157759      5.735670
  H      -2.019203      1.204074      3.358579
  H      -2.964036      0.410263      4.626647
  H      -1.190607      2.896624      4.840820
  H      -0.983168      1.359827      5.726346
  H      -1.742160      5.896641      6.826871
  H      -1.296516      4.984563      5.378896
  H      -2.434077      3.938779      8.022768
  H      -0.853562      3.522008      7.303637
  H      -4.830002      1.228217      8.492890
  H      -4.146046      2.839300      8.766532
  H      -3.257605      0.694608      6.763310
  H      -2.281022      1.375252      8.094934
  C      -4.363421      2.000809      2.666496
  C      -5.169478      0.699169      2.644170
  C      -5.694296      0.360957      1.232190
  C      -4.596329      0.061860      0.250317
  N      -4.290437      1.013235     -0.641008
  C      -3.262433      0.766277     -1.487046
  N      -2.492811     -0.308150     -1.543132
  C      -2.793684     -1.304542     -0.651590
  C      -2.024589     -2.491737     -0.658130
  C      -2.314859     -3.518323      0.225229
  C      -3.383149     -3.395074      1.138074
  C      -4.149911     -2.242558      1.169315
  C      -3.871953     -1.169667      0.283063
  C      -3.766252      6.536247      5.427084
  C      -3.090884      7.116733      4.173914
  C      -3.537881      6.440300      2.880117
  C      -4.961193      6.741469      2.478243
  N      -5.587646      7.748833      3.085417
  C      -6.877065      7.986368      2.740040
  N      -7.623782      7.318753      1.878903
  C      -6.999896      6.285613      1.226888
  C      -7.732905      5.514841      0.292856
  C      -7.120418      4.475151     -0.384627
  C      -5.758605      4.174217     -0.163022
  C      -5.022607      4.910878      0.747580
  C      -5.624879      5.967821      1.474618
  C      -6.623915      2.779354      7.347972
  C      -6.930854      4.172442      7.912389
  C      -8.357301      4.323886      8.437725
  C      -9.475389      4.248657      7.428989
  N      -9.192296      4.240123      6.113401
  C     -10.226719      4.158800      5.243065
  N     -11.514162      4.069532      5.519273
  C     -11.843206      4.101134      6.853480
  C     -13.201531      4.030799      7.228835
  C     -13.563660      4.072426      8.569493
  C     -12.578915      4.187201      9.567525
  C     -11.234851      4.254967      9.227193
  C     -10.834433      4.207157      7.867172
  H      -3.580834      1.960028      1.884786
  H      -5.026645      2.836394      2.410872
  H      -6.021411      0.797863      3.335918
  H      -4.550296     -0.133680      3.011597
  H      -6.374623     -0.501844      1.306156
  H      -6.275294      1.209619      0.842472
  H      -3.043818      1.563468     -2.206132
  H      -1.209776     -2.568936     -1.379567
  H      -1.718978     -4.432684      0.212594
  H      -3.607683     -4.215913      1.821428
  H      -4.977981     -2.161489      1.874445
  H      -4.855582      6.591458      5.307097
  H      -3.501390      7.174069      6.293061
  H      -1.996803      7.029874      4.266833
  H      -3.326716      8.189579      4.128713
  H      -2.872859      6.734804      2.048311
  H      -3.418308      5.347531      2.975961
  H      -7.353448      8.828699      3.252876
  H      -8.780490      5.771885      0.128272
  H      -7.691485      3.880403     -1.099986
  H      -5.293689      3.332361     -0.681569
  H      -3.974016      4.665708      0.919118
  H      -6.870952      2.015890      8.109481
  H      -7.272455      2.590144      6.482629
  H      -6.234478      4.384100      8.739649
  H      -6.726487      4.924085      7.134901
  H      -8.540660      3.560802      9.215021
  H      -8.443483      5.290401      8.968094
  H      -9.948643      4.162453      4.182627
  H     -13.946813      3.947787      6.436429
  H     -14.616684      4.018467      8.851149
  H     -12.874280      4.223140     10.617680
  H     -10.483690      4.348097     10.011818
  N      -5.888061      4.217339      4.655905
  N      -7.020825      4.806279      4.409000
  H      -7.810444      4.642798      5.103501
  H      -7.259216      4.951447      3.424156
