80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.510305421779
  N      -2.971111     -3.498495      2.544931
  C      -2.371185     -4.241191      1.439095
  C      -1.909243     -5.599039      1.948585
  N      -2.958741     -6.185001      2.813664
  C      -4.066987     -6.708783      1.972546
  C      -5.396033     -6.276629      2.593561
  N      -5.230756     -4.943870      3.136548
  Mo     -3.588246     -4.560643      4.110640
  N      -2.283719     -5.593451      5.230010
  C      -1.498199     -6.692086      4.693097
  C      -2.370681     -7.294971      3.595876
  H      -1.300149     -7.442492      5.467196
  H      -0.528948     -6.355233      4.302285
  H      -3.191478     -7.850679      4.065245
  H      -1.796279     -7.968558      2.949882
  H      -6.196552     -6.325672      1.851077
  H      -5.668204     -6.937290      3.432623
  H      -4.002257     -6.285852      0.968940
  H      -4.013430     -7.797128      1.888480
  H      -1.507213     -3.704178      1.033164
  H      -3.112463     -4.356186      0.637650
  H      -0.998016     -5.460181      2.537381
  H      -1.682534     -6.265627      1.109111
  C      -3.271806     -2.206898      2.278943
  C      -3.138587     -1.640008      0.990218
  C      -3.356659     -0.307219      0.708617
  C      -3.233503      0.103980     -0.703405
  O      -2.781209     -0.614251     -1.565989
  C      -3.721332      0.593210      1.753412
  C      -3.889369      2.038856      1.582512
  O      -3.631999      2.692658      0.598551
  C      -3.907283      0.063536      3.011134
  C      -3.726209     -1.304087      3.313987
  C      -4.013144     -1.728278      4.621427
  O      -4.022477     -2.948585      4.972615
  C      -6.246446     -4.031946      2.990631
  C      -6.757997     -3.418595      4.145767
  C      -7.810512     -2.515851      4.128320
  C      -8.214090     -1.933755      5.422115
  O      -8.881584     -0.943933      5.590315
  C      -8.429338     -2.204360      2.893837
  C      -9.599414     -1.321274      2.761257
  O     -10.052605     -0.972519      1.694570
  C      -7.928696     -2.799235      1.742592
  C      -6.847654     -3.676896      1.744851
  C      -6.289101     -4.037403      0.443779
  O      -5.221176     -4.577528      0.259862
  C      -2.052977     -5.247344      6.528611
  C      -0.778228     -5.304588      7.107459
  C      -0.538967     -4.924951      8.421897
  C       0.858843     -5.001958      8.891020
  O       1.802402     -5.075769      8.137359
  C      -1.617354     -4.525211      9.250244
  C      -1.455918     -4.065168     10.634164
  O      -0.418662     -3.774601     11.182493
  C      -2.900844     -4.565074      8.721107
  C      -3.146981     -4.905557      7.386447
  C      -4.474905     -5.090573      6.895390
  O      -4.738956     -5.246314      5.682732
  H      -2.873677     -2.247474      0.139514
  H      -3.596980      1.113781     -0.935799
  H      -4.281794      2.534259      2.490657
  H      -4.209472      0.716972      3.816345
  H      -4.288957     -0.984555      5.373049
  H      -6.340298     -3.707972      5.102808
  H      -7.808927     -2.489396      6.288692
  H     -10.058689     -0.994760      3.705210
  H      -8.401849     -2.538473      0.805783
  H      -6.907296     -3.707562     -0.407051
  H       0.076756     -5.617423      6.526668
  H       0.996495     -4.996856      9.980776
  H      -2.416186     -3.979728     11.175801
  H      -3.740167     -4.315166      9.352944
  H      -5.294519     -5.140829      7.620472
  N      -1.805258     -3.470676      4.522738
  H      -1.684253     -3.273636      5.515157
  H      -1.777674     -2.567505      4.051693
  H      -0.964095     -3.965835      4.230125
  N      -4.387799     -6.534070      4.167194
  N      -4.920835     -7.849689      4.204897
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.613965403512
  N      -2.977914     -3.510007      2.540418
  C      -2.373853     -4.250409      1.431979
  C      -1.894982     -5.604210      1.935281
  N      -2.939369     -6.200170      2.803908
  C      -4.069630     -6.715810      1.950978
  C      -5.424152     -6.281616      2.565208
  N      -5.252487     -4.950478      3.122980
  Mo     -3.592139     -4.576875      4.126029
  N      -2.270545     -5.612383      5.252168
  C      -1.472703     -6.707390      4.692595
  C      -2.325365     -7.317770      3.584767
  H      -1.262431     -7.463857      5.458832
  H      -0.507171     -6.348731      4.304162
  H      -3.123419     -7.892672      4.053290
  H      -1.741445     -7.976936      2.928682
  H      -6.216229     -6.316622      1.805975
  H      -5.733609     -6.939822      3.385013
  H      -3.998375     -6.276218      0.954180
  H      -4.016814     -7.804550      1.853109
  H      -1.514351     -3.704859      1.023686
  H      -3.117198     -4.370885      0.632083
  H      -0.981352     -5.464524      2.521735
  H      -1.666893     -6.265353      1.090084
  C      -3.286849     -2.214966      2.274265
  C      -3.154096     -1.647758      0.981788
  C      -3.377550     -0.313154      0.698254
  C      -3.253510      0.103392     -0.717134
  O      -2.791849     -0.611957     -1.586685
  C      -3.748997      0.586762      1.746052
  C      -3.925249      2.034474      1.583636
  O      -3.669696      2.699997      0.599342
  C      -3.934186      0.056911      3.005553
  C      -3.747078     -1.309750      3.311692
  C      -4.034978     -1.726805      4.624366
  O      -4.038985     -2.952188      4.986015
  C      -6.264073     -4.025204      2.971224
  C      -6.777242     -3.407516      4.126712
  C      -7.820891     -2.492227      4.106883
  C      -8.215767     -1.914130      5.407349
  O      -8.874348     -0.912174      5.586154
  C      -8.433867     -2.168372      2.868362
  C      -9.596218     -1.271145      2.729788
  O     -10.041367     -0.914909      1.653978
  C      -7.933025     -2.767409      1.717289
  C      -6.859895     -3.658560      1.720236
  C      -6.311716     -4.017142      0.412534
  O      -5.248059     -4.575019      0.212350
  C      -2.041464     -5.264871      6.554742
  C      -0.763185     -5.320825      7.131491
  C      -0.519272     -4.939045      8.447070
  C       0.883174     -5.017551      8.911555
  O       1.828893     -5.094901      8.148855
  C      -1.599866     -4.536128      9.279368
  C      -1.443224     -4.071742     10.664144
  O      -0.403109     -3.776702     11.218976
  C      -2.885922     -4.575020      8.753346
  C      -3.138651     -4.917848      7.418160
  C      -4.472005     -5.095949      6.938065
  O      -4.748449     -5.257892      5.719566
  H      -2.884458     -2.257715      0.130538
  H      -3.622424      1.114318     -0.947659
  H      -4.322187      2.522983      2.498080
  H      -4.241020      0.712827      3.812179
  H      -4.315644     -0.979621      5.372350
  H      -6.366708     -3.703227      5.086477
  H      -7.813711     -2.483322      6.271481
  H     -10.059654     -0.940118      3.672964
  H      -8.400699     -2.499424      0.775819
  H      -6.934508     -3.672197     -0.433988
  H       0.092294     -5.635661      6.546593
  H       1.026377     -5.012154     10.003112
  H      -2.409102     -3.985682     11.203481
  H      -3.725418     -4.321058      9.390042
  H      -5.288034     -5.140731      7.670222
  N      -1.786414     -3.468396      4.539119
  H      -1.663838     -3.266251      5.534023
  H      -1.757747     -2.564665      4.064373
  H      -0.942391     -3.963286      4.248355
  N      -4.396040     -6.558836      4.212140
  N      -4.836314     -7.835631      4.395920
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.702946941625
  N      -2.983450     -3.518010      2.536314
  C      -2.376807     -4.256651      1.426296
  C      -1.883704     -5.606702      1.924869
  N      -2.922831     -6.211820      2.796553
  C      -4.071040     -6.720416      1.936537
  C      -5.447006     -6.287610      2.544037
  N      -5.274614     -4.955424      3.112960
  Mo     -3.596130     -4.590013      4.142463
  N      -2.259136     -5.630265      5.274633
  C      -1.452716     -6.721628      4.691502
  C      -2.287551     -7.335953      3.572830
  H      -1.231981     -7.484357      5.449703
  H      -0.491017     -6.343249      4.305944
  H      -3.065918     -7.926889      4.037736
  H      -1.696672     -7.980822      2.906407
  H      -6.229426     -6.312164      1.770609
  H      -5.780992     -6.938114      3.339861
  H      -3.996343     -6.266401      0.946267
  H      -4.016272     -7.809382      1.827751
  H      -1.521174     -3.704051      1.015673
  H      -3.122120     -4.381883      0.627793
  H      -0.967816     -5.466977      2.509264
  H      -1.654997     -6.262914      1.074408
  C      -3.299485     -2.220519      2.271059
  C      -3.167383     -1.654391      0.974989
  C      -3.395338     -0.318898      0.688655
  C      -3.271145      0.100515     -0.729650
  O      -2.802128     -0.614414     -1.603853
  C      -3.772084      0.581625      1.737988
  C      -3.955437      2.030638      1.582122
  O      -3.701844      2.705413      0.596697
  C      -3.956435      0.052884      2.999764
  C      -3.764454     -1.312729      3.310162
  C      -4.053908     -1.721041      4.627872
  O      -4.054691     -2.950096      5.001787
  C      -6.281983     -4.021283      2.955824
  C      -6.797715     -3.398575      4.110362
  C      -7.834442     -2.473469      4.085665
  C      -8.223312     -1.897623      5.390590
  O      -8.875245     -0.885589      5.575901
  C      -8.441447     -2.141153      2.843119
  C      -9.597146     -1.232791      2.698374
  O     -10.034946     -0.871708      1.614085
  C      -7.938822     -2.745214      1.693663
  C      -6.871693     -3.647310      1.699700
  C      -6.330416     -4.005467      0.387939
  O      -5.269539     -4.577819      0.175285
  C      -2.030730     -5.282364      6.581102
  C      -0.749546     -5.339863      7.154009
  C      -0.498468     -4.956758      8.470873
  C       0.906958     -5.039053      8.929721
  O       1.854509     -5.121961      8.157784
  C      -1.579895     -4.548883      9.307368
  C      -1.426285     -4.081062     10.692329
  O      -0.382699     -3.784367     11.252605
  C      -2.868563     -4.583922      8.785692
  C      -3.130412     -4.928339      7.449876
  C      -4.468612     -5.095960      6.982625
  O      -4.759829     -5.264220      5.757447
  H      -2.894102     -2.267571      0.124029
  H      -3.644504      1.112003     -0.960135
  H      -4.355779      2.513893      2.501482
  H      -4.267095      0.711882      3.806782
  H      -4.338689     -0.969839      5.371380
  H      -6.393582     -3.698127      5.073238
  H      -7.824558     -2.476384      6.253780
  H     -10.064600     -0.896770      3.640177
  H      -8.400676     -2.472941      0.747249
  H      -6.955710     -3.648873     -0.456027
  H       0.104738     -5.658082      6.564209
  H       1.056126     -5.033094     10.022546
  H      -2.396476     -3.992323     11.229901
  H      -3.706497     -4.324318      9.427768
  H      -5.280278     -5.133035      7.721860
  N      -1.767108     -3.464171      4.556699
  H      -1.643436     -3.257964      5.553553
  H      -1.737583     -2.560144      4.078542
  H      -0.921040     -3.959202      4.267441
  N      -4.407478     -6.580702      4.252396
  N      -4.769982     -7.764092      4.511294
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.769328029033
  N      -2.993099     -3.524868      2.533650
  C      -2.384943     -4.261540      1.422533
  C      -1.877244     -5.608005      1.916392
  N      -2.909701     -6.223372      2.789680
  C      -4.072421     -6.724434      1.923473
  C      -5.466191     -6.291919      2.521812
  N      -5.296024     -4.958978      3.102608
  Mo     -3.602156     -4.601588      4.159513
  N      -2.247444     -5.648475      5.298313
  C      -1.434264     -6.732448      4.691213
  C      -2.252646     -7.351425      3.559822
  H      -1.201467     -7.501196      5.440742
  H      -0.477455     -6.334671      4.307545
  H      -3.010309     -7.960129      4.019600
  H      -1.654489     -7.980263      2.884067
  H      -6.237850     -6.303450      1.735773
  H      -5.826751     -6.940115      3.299901
  H      -3.993379     -6.256005      0.940343
  H      -4.015792     -7.813284      1.803060
  H      -1.533533     -3.701965      1.009421
  H      -3.131965     -4.391778      0.625362
  H      -0.959360     -5.467532      2.498532
  H      -1.647886     -6.259487      1.061231
  C      -3.315455     -2.226526      2.269953
  C      -3.184246     -1.661632      0.971302
  C      -3.416060     -0.326069      0.682176
  C      -3.291970      0.095332     -0.737571
  O      -2.816906     -0.618595     -1.614025
  C      -3.797166      0.574782      1.732137
  C      -3.986749      2.024117      1.581921
  O      -3.735602      2.705839      0.596701
  C      -3.980310      0.047139      2.995919
  C      -3.783939     -1.317427      3.310480
  C      -4.074094     -1.717178      4.632349
  O      -4.072384     -2.946863      5.019743
  C      -6.296959     -4.018412      2.939995
  C      -6.814720     -3.389887      4.092745
  C      -7.843597     -2.455204      4.061420
  C      -8.227496     -1.879591      5.368775
  O      -8.871342     -0.859335      5.557057
  C      -8.443498     -2.115814      2.814951
  C      -9.591019     -1.196462      2.664169
  O     -10.020794     -0.831951      1.573993
  C      -7.939435     -2.726087      1.668280
  C      -6.879127     -3.639108      1.679147
  C      -6.343117     -3.999881      0.365741
  O      -5.287658     -4.587238      0.144475
  C      -2.018208     -5.299841      6.607368
  C      -0.734405     -5.357372      7.176637
  C      -0.475820     -4.973973      8.495264
  C       0.930863     -5.059737      8.951362
  O       1.878289     -5.147586      8.173544
  C      -1.554873     -4.562495      9.333518
  C      -1.402265     -4.092456     10.718349
  O      -0.356777     -3.795926     11.281903
  C      -2.846966     -4.593616      8.814167
  C      -3.117356     -4.939199      7.479155
  C      -4.462563     -5.094371      7.023919
  O      -4.769042     -5.267412      5.795749
  H      -2.907984     -2.277789      0.121069
  H      -3.668975      1.107041     -0.968448
  H      -4.389638      2.502915      2.505222
  H      -4.294012      0.708879      3.802879
  H      -4.362201     -0.961877      5.371158
  H      -6.417140     -3.692033      5.058869
  H      -7.833541     -2.465589      6.232171
  H     -10.061617     -0.854584      3.604111
  H      -8.394668     -2.450652      0.717046
  H      -6.968213     -3.633286     -0.477208
  H       0.118123     -5.678700      6.582344
  H       1.084764     -5.052701     10.045039
  H      -2.375215     -4.000808     11.255302
  H      -3.683242     -4.328686      9.460548
  H      -5.269806     -5.121363      7.769434
  N      -1.751052     -3.457460      4.576338
  H      -1.627502     -3.248482      5.574530
  H      -1.721589     -2.553279      4.095518
  H      -0.903370     -3.952118      4.288526
  N      -4.426548     -6.605087      4.287295
  N      -4.740075     -7.674690      4.599001
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.808753306781
  N      -3.013139     -3.529099      2.534740
  C      -2.404325     -4.260470      1.422002
  C      -1.875815     -5.598381      1.911536
  N      -2.895374     -6.228942      2.787096
  C      -4.066298     -6.718975      1.915561
  C      -5.474155     -6.291209      2.494411
  N      -5.314566     -4.958751      3.094062
  Mo     -3.610320     -4.609506      4.184972
  N      -2.239162     -5.667828      5.329349
  C      -1.419155     -6.735298      4.696918
  C      -2.215788     -7.355171      3.546003
  H      -1.173215     -7.511874      5.434894
  H      -0.467836     -6.314855      4.320352
  H      -2.956643     -7.991123      3.994414
  H      -1.605954     -7.961302      2.861051
  H      -6.224771     -6.282948      1.689906
  H      -5.867971     -6.945164      3.245690
  H      -3.978419     -6.230250      0.943777
  H      -4.006011     -7.806635      1.777668
  H      -1.561035     -3.690177      1.004002
  H      -3.153449     -4.399866      0.627090
  H      -0.955559     -5.453827      2.489771
  H      -1.645303     -6.244855      1.051488
  C      -3.344354     -2.233427      2.272595
  C      -3.216293     -1.671793      0.971405
  C      -3.454069     -0.338288      0.677666
  C      -3.331524      0.082324     -0.742804
  O      -2.849632     -0.630073     -1.616934
  C      -3.840253      0.563462      1.725743
  C      -4.038556      2.011590      1.578618
  O      -3.792530      2.696849      0.594198
  C      -4.019531      0.038526      2.992218
  C      -3.815494     -1.323941      3.312736
  C      -4.102803     -1.713634      4.638217
  O      -4.095378     -2.938946      5.042864
  C      -6.304936     -4.015034      2.922466
  C      -6.824674     -3.374984      4.069730
  C      -7.842445     -2.428778      4.025450
  C      -8.221457     -1.846485      5.331087
  O      -8.853525     -0.818087      5.515666
  C      -8.431917     -2.086028      2.773145
  C      -9.567028     -1.153768      2.612445
  O      -9.986585     -0.789642      1.517810
  C      -7.926616     -2.708765      1.633499
  C      -6.876074     -3.635298      1.655183
  C      -6.345058     -4.007882      0.344155
  O      -5.301238     -4.617273      0.118757
  C      -2.007319     -5.323939      6.638315
  C      -0.720820     -5.391074      7.201328
  C      -0.448950     -5.010148      8.519827
  C       0.957552     -5.111390      8.970812
  O       1.900018     -5.214443      8.187998
  C      -1.520006     -4.585263      9.361497
  C      -1.362122     -4.113656     10.744601
  O      -0.313349     -3.828024     11.308094
  C      -2.815320     -4.600331      8.846878
  C      -3.100023     -4.945514      7.513879
  C      -4.452438     -5.071798      7.076074
  O      -4.780991     -5.252350      5.852226
  H      -2.937101     -2.291879      0.123350
  H      -3.713773      1.092746     -0.976384
  H      -4.443661      2.487124      2.504694
  H      -4.336400      0.703399      3.797876
  H      -4.395279     -0.953975      5.371242
  H      -6.435024     -3.676238      5.040676
  H      -7.834768     -2.435472      6.197973
  H     -10.039815     -0.800769      3.548683
  H      -8.372515     -2.433753      0.675835
  H      -6.965952     -3.632410     -0.500451
  H       0.125593     -5.722211      6.601021
  H       1.118230     -5.103589     10.064597
  H      -2.335485     -4.009031     11.282280
  H      -3.645535     -4.321397      9.498427
  H      -5.252529     -5.076426      7.830311
  N      -1.736161     -3.438565      4.604999
  H      -1.615268     -3.225611      5.603298
  H      -1.709939     -2.535877      4.119489
  H      -0.885873     -3.931244      4.320379
  N      -4.444772     -6.645680      4.340936
  N      -4.736609     -7.652646      4.674676
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.838389992681
  N      -3.036031     -3.531493      2.536140
  C      -2.424828     -4.256739      1.422637
  C      -1.874658     -5.583486      1.910152
  N      -2.880274     -6.231259      2.787165
  C      -4.053244     -6.712375      1.912625
  C      -5.469582     -6.290238      2.466948
  N      -5.326981     -4.959302      3.084873
  Mo     -3.619469     -4.615005      4.209937
  N      -2.235782     -5.685299      5.359438
  C      -1.407350     -6.731190      4.705657
  C      -2.179332     -7.349709      3.533736
  H      -1.148517     -7.515348      5.431816
  H      -0.461136     -6.287721      4.339935
  H      -2.905282     -8.015025      3.965712
  H      -1.554021     -7.930567      2.841877
  H      -6.194774     -6.261744      1.642265
  H      -5.896235     -6.950885      3.192283
  H      -3.955900     -6.205082      0.952096
  H      -3.987424     -7.798269      1.758460
  H      -1.590790     -3.674678      1.000125
  H      -3.174147     -4.407168      0.629009
  H      -0.953184     -5.431799      2.485453
  H      -1.640533     -6.226018      1.046824
  C      -3.376413     -2.239512      2.274384
  C      -3.250046     -1.681204      0.970957
  C      -3.494310     -0.350689      0.671819
  C      -3.370893      0.067940     -0.749186
  O      -2.879763     -0.642521     -1.618196
  C      -3.888296      0.551990      1.716113
  C      -4.096165      1.998456      1.569782
  O      -3.854255      2.685448      0.586527
  C      -4.064998      0.029993      2.984795
  C      -3.852040     -1.329967      3.311609
  C      -4.137135     -1.710775      4.639049
  O      -4.121987     -2.929463      5.060710
  C      -6.306568     -4.014125      2.903003
  C      -6.825831     -3.362433      4.045759
  C      -7.831428     -2.404518      3.991396
  C      -8.202807     -1.815005      5.295869
  O      -8.821664     -0.779213      5.477574
  C      -8.412434     -2.057722      2.735336
  C      -9.534325     -1.111900      2.568382
  O      -9.946329     -0.747414      1.471952
  C      -7.909250     -2.692480      1.601704
  C      -6.869544     -3.632847      1.630713
  C      -6.348884     -4.015173      0.319643
  O      -5.320098     -4.646466      0.084707
  C      -2.000668     -5.348449      6.667173
  C      -0.711811     -5.429274      7.224354
  C      -0.425886     -5.052413      8.541752
  C       0.979587     -5.174411      8.988307
  O       1.915914     -5.296872      8.202390
  C      -1.486751     -4.610137      9.386529
  C      -1.320891     -4.137399     10.767689
  O      -0.268352     -3.867521     11.330078
  C      -2.784339     -4.604157      8.876096
  C      -3.084121     -4.947978      7.545487
  C      -4.442939     -5.038924      7.124207
  O      -4.794538     -5.227054      5.908498
  H      -2.966402     -2.304822      0.126068
  H      -3.759079      1.076129     -0.987111
  H      -4.505354      2.471388      2.496974
  H      -4.386886      0.697413      3.788053
  H      -4.436156     -0.947483      5.366087
  H      -6.442022     -3.663269      5.020127
  H      -7.821927     -2.406519      6.165302
  H     -10.005953     -0.748143      3.502319
  H      -8.347528     -2.417191      0.639335
  H      -6.967567     -3.627868     -0.523063
  H       0.126886     -5.772903      6.618613
  H       1.146232     -5.165770     10.082051
  H      -2.293423     -4.015319     11.306202
  H      -3.606965     -4.308087      9.531900
  H      -5.235070     -5.015967      7.887022
  N      -1.724757     -3.414862      4.634366
  H      -1.609326     -3.196876      5.632184
  H      -1.703091     -2.515236      4.142385
  H      -0.871317     -3.905425      4.355126
  N      -4.466003     -6.689844      4.401733
  N      -4.777196     -7.692079      4.760307
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.861075233118
  N      -3.054444     -3.529337      2.533556
  C      -2.439929     -4.251976      1.420784
  C      -1.872124     -5.568297      1.910230
  N      -2.866486     -6.231337      2.789488
  C      -4.037387     -6.707443      1.910702
  C      -5.455657     -6.291578      2.440873
  N      -5.336274     -4.962038      3.072719
  Mo     -3.625099     -4.617607      4.231146
  N      -2.233170     -5.703299      5.389688
  C      -1.402088     -6.729998      4.720936
  C      -2.157281     -7.339638      3.532840
  H      -1.137676     -7.521977      5.437231
  H      -0.456342     -6.274844      4.365060
  H      -2.882536     -8.026173      3.948168
  H      -1.517415     -7.903616      2.839606
  H      -6.158520     -6.244761      1.597778
  H      -5.911616     -6.966725      3.150350
  H      -3.930523     -6.186421      0.958358
  H      -3.966155     -7.791522      1.744358
  H      -1.613855     -3.660645      0.993722
  H      -3.187810     -4.413574      0.627285
  H      -0.950475     -5.408352      2.483996
  H      -1.632914     -6.209953      1.046118
  C      -3.403599     -2.239656      2.271596
  C      -3.279200     -1.683043      0.965343
  C      -3.530130     -0.355005      0.661462
  C      -3.405866      0.062334     -0.761237
  O      -2.905187     -0.646447     -1.627349
  C      -3.932186      0.548382      1.702667
  C      -4.149753      1.993920      1.557289
  O      -3.911815      2.684258      0.574163
  C      -4.106200      0.028244      2.973239
  C      -3.884060     -1.329399      3.305469
  C      -4.167011     -1.702426      4.635078
  O      -4.144702     -2.914709      5.074676
  C      -6.309352     -4.016793      2.879897
  C      -6.829181     -3.355353      4.020184
  C      -7.825118     -2.388589      3.960242
  C      -8.186976     -1.795030      5.266330
  O      -8.795942     -0.752453      5.450699
  C      -8.401480     -2.037080      2.701655
  C      -9.513295     -1.080336      2.531254
  O      -9.922098     -0.714197      1.432531
  C      -7.900855     -2.680664      1.572080
  C      -6.869220     -3.631936      1.603216
  C      -6.362624     -4.015528      0.287742
  O      -5.346013     -4.662921      0.034196
  C      -1.994292     -5.374479      6.693917
  C      -0.703125     -5.475353      7.249629
  C      -0.405713     -5.101895      8.564183
  C       0.999322     -5.251830      9.009732
  O       1.930883     -5.399228      8.222317
  C      -1.455479     -4.634656      9.410796
  C      -1.280500     -4.158859     10.790038
  O      -0.222056     -3.908907     11.352798
  C      -2.753637     -4.602461      8.901688
  C      -3.066425     -4.945614      7.573724
  C      -4.431356     -4.998486      7.166742
  O      -4.806289     -5.195350      5.962257
  H      -2.991734     -2.309397      0.123111
  H      -3.801152      1.068107     -1.002748
  H      -4.563204      2.463465      2.486090
  H      -4.433376      0.697463      3.774419
  H      -4.472442     -0.934755      5.355972
  H      -6.449084     -3.656357      4.996276
  H      -7.807138     -2.390456      6.135575
  H      -9.982443     -0.708431      3.464568
  H      -8.333955     -2.404354      0.606523
  H      -6.983673     -3.612902     -0.547979
  H       0.127319     -5.836422      6.641425
  H       1.169389     -5.241537     10.103903
  H      -2.251994     -4.013029     11.327667
  H      -3.568440     -4.285018      9.559280
  H      -5.214610     -4.943285      7.938501
  N      -1.706929     -3.386809      4.662836
  H      -1.598949     -3.164065      5.660419
  H      -1.691001     -2.491030      4.163692
  H      -0.850041     -3.875570      4.389716
  N      -4.479785     -6.745081      4.459695
  N      -4.783086     -7.735196      4.853922
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.878646236163
  N      -3.074520     -3.520494      2.537285
  C      -2.458429     -4.239458      1.424303
  C      -1.876248     -5.546797      1.914879
  N      -2.859743     -6.225961      2.795177
  C      -4.026666     -6.699519      1.915379
  C      -5.440933     -6.287858      2.425788
  N      -5.343849     -4.962930      3.069611
  Mo     -3.631855     -4.614864      4.252491
  N      -2.233544     -5.718780      5.414088
  C      -1.397734     -6.724033      4.730479
  C      -2.139309     -7.323836      3.530089
  H      -1.124640     -7.525091      5.433944
  H      -0.453909     -6.256683      4.383552
  H      -2.858167     -8.032049      3.924222
  H      -1.482738     -7.868081      2.835590
  H      -6.123148     -6.223750      1.566925
  H      -5.920259     -6.973240      3.119867
  H      -3.913459     -6.168523      0.968564
  H      -3.950407     -7.781603      1.738327
  H      -1.639693     -3.640290      0.993352
  H      -3.204777     -4.409623      0.630457
  H      -0.954916     -5.378369      2.487576
  H      -1.631604     -6.187780      1.050913
  C      -3.430329     -2.233875      2.275723
  C      -3.309018     -1.680666      0.966992
  C      -3.566753     -0.356127      0.657617
  C      -3.443564      0.054430     -0.767384
  O      -2.936400     -0.657347     -1.628015
  C      -3.975415      0.549436      1.694489
  C      -4.201838      1.993180      1.545479
  O      -3.968276      2.683036      0.560089
  C      -4.145957      0.032337      2.967377
  C      -3.914897     -1.322758      3.305050
  C      -4.195407     -1.690876      4.636101
  O      -4.166084     -2.896918      5.090139
  C      -6.311913     -4.019921      2.864618
  C      -6.836295     -3.344826      3.997216
  C      -7.823678     -2.371275      3.924042
  C      -8.183526     -1.765912      5.225375
  O      -8.785970     -0.717236      5.402514
  C      -8.390418     -2.022861      2.659010
  C      -9.492009     -1.057997      2.476527
  O      -9.894513     -0.696291      1.372744
  C      -7.887359     -2.679662      1.538385
  C      -6.862949     -3.639424      1.581158
  C      -6.356311     -4.033287      0.269509
  O      -5.347215     -4.695722      0.017059
  C      -1.987682     -5.401147      6.713175
  C      -0.693529     -5.525453      7.267717
  C      -0.385931     -5.157304      8.577927
  C       1.019002     -5.337890      9.022529
  O       1.943940     -5.509824      8.234040
  C      -1.421199     -4.664686      9.428763
  C      -1.230528     -4.188866     10.805562
  O      -0.163469     -3.963369     11.364126
  C      -2.719334     -4.604270      8.921931
  C      -3.044496     -4.944383      7.596896
  C      -4.415887     -4.959538      7.202988
  O      -4.814832     -5.160479      6.012951
  H      -3.019584     -2.310200      0.127675
  H      -3.845905      1.056115     -1.015761
  H      -4.618291      2.462277      2.473655
  H      -4.477899      0.703006      3.765781
  H      -4.506855     -0.919647      5.351513
  H      -6.462617     -3.640878      4.977230
  H      -7.807896     -2.357926      6.099365
  H      -9.961317     -0.673978      3.405315
  H      -8.311110     -2.407437      0.567282
  H      -6.969670     -3.623824     -0.569076
  H       0.127541     -5.904001      6.657411
  H       1.191779     -5.327514     10.116571
  H      -2.196671     -4.017474     11.345951
  H      -3.524969     -4.266341      9.581188
  H      -5.187105     -4.872283      7.985275
  N      -1.691363     -3.360253      4.691052
  H      -1.590670     -3.133982      5.687904
  H      -1.681506     -2.468978      4.185008
  H      -0.832392     -3.848355      4.423266
  N      -4.505919     -6.796997      4.523114
  N      -4.809626     -7.771264      4.965105
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.892782634357
  N      -3.088479     -3.509974      2.535712
  C      -2.466460     -4.227609      1.425970
  C      -1.874663     -5.526763      1.921855
  N      -2.851727     -6.220335      2.799971
  C      -4.009858     -6.697069      1.917287
  C      -5.419797     -6.290161      2.408142
  N      -5.346519     -4.969068      3.061167
  Mo     -3.637405     -4.609240      4.263809
  N      -2.237958     -5.730535      5.432806
  C      -1.396496     -6.717479      4.740704
  C      -2.126665     -7.308097      3.531479
  H      -1.118227     -7.526663      5.433401
  H      -0.452706     -6.242554      4.403211
  H      -2.844623     -8.034109      3.903856
  H      -1.452635     -7.837132      2.840762
  H      -6.082928     -6.213738      1.535912
  H      -5.915782     -6.985330      3.088268
  H      -3.890087     -6.162278      0.973228
  H      -3.926778     -7.777751      1.734254
  H      -1.652187     -3.622797      0.993881
  H      -3.207507     -4.406277      0.628758
  H      -0.956510     -5.348878      2.497530
  H      -1.620493     -6.168967      1.060858
  C      -3.449512     -2.226125      2.272233
  C      -3.326890     -1.675752      0.961545
  C      -3.590664     -0.354285      0.646409
  C      -3.463544      0.050380     -0.780006
  O      -2.946121     -0.662704     -1.634031
  C      -4.010059      0.552645      1.677813
  C      -4.244673      1.993991      1.523118
  O      -4.011683      2.682030      0.535682
  C      -4.181724      0.038218      2.952007
  C      -3.942403     -1.314019      3.295379
  C      -4.225100     -1.678125      4.626902
  O      -4.189100     -2.877726      5.094368
  C      -6.312315     -4.028595      2.846812
  C      -6.833909     -3.346767      3.978513
  C      -7.814533     -2.367631      3.906125
  C      -8.163443     -1.757748      5.208023
  O      -8.760070     -0.705456      5.387690
  C      -8.381754     -2.016366      2.641277
  C      -9.475749     -1.044313      2.460514
  O      -9.881164     -0.681948      1.357090
  C      -7.884133     -2.678620      1.521974
  C      -6.864961     -3.644905      1.561767
  C      -6.370053     -4.034329      0.245040
  O      -5.368924     -4.704373     -0.023658
  C      -1.987652     -5.422951      6.726589
  C      -0.692682     -5.573413      7.285830
  C      -0.380466     -5.208102      8.591277
  C       1.022834     -5.422097      9.040318
  O       1.942108     -5.620390      8.254207
  C      -1.401602     -4.686584      9.442954
  C      -1.196551     -4.209120     10.816171
  O      -0.121874     -4.009563     11.371601
  C      -2.697359     -4.597443      8.933697
  C      -3.029235     -4.936095      7.611322
  C      -4.405661     -4.916169      7.225074
  O      -4.824607     -5.121319      6.049898
  H      -3.032734     -2.307473      0.125605
  H      -3.872147      1.047881     -1.035783
  H      -4.667597      2.463611      2.448316
  H      -4.521657      0.709611      3.746686
  H      -4.545262     -0.903138      5.335333
  H      -6.458855     -3.642841      4.958116
  H      -7.784163     -2.349617      6.080785
  H      -9.938160     -0.653906      3.390298
  H      -8.306453     -2.404605      0.550560
  H      -6.984731     -3.610966     -0.585699
  H       0.120410     -5.972062      6.677819
  H       1.194038     -5.411244     10.134696
  H      -2.156750     -4.008903     11.357262
  H      -3.495666     -4.237775      9.590757
  H      -5.164641     -4.796310      8.016649
  N      -1.678016     -3.331992      4.713737
  H      -1.587509     -3.101270      5.709879
  H      -1.674758     -2.445982      4.199711
  H      -0.816069     -3.818858      4.453792
  N      -4.530686     -6.856127      4.580715
  N      -4.819514     -7.806776      5.074524
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.904561489862
  N      -3.103043     -3.493335      2.539447
  C      -2.479511     -4.209812      1.430715
  C      -1.880677     -5.502687      1.929807
  N      -2.851499     -6.208827      2.806472
  C      -4.001110     -6.689505      1.924063
  C      -5.404407     -6.286431      2.403552
  N      -5.348538     -4.971396      3.066106
  Mo     -3.641307     -4.597095      4.275506
  N      -2.242893     -5.738793      5.446199
  C      -1.397035     -6.709503      4.744570
  C      -2.121751     -7.289782      3.530541
  H      -1.113128     -7.527517      5.425057
  H      -0.453767     -6.228572      4.414762
  H      -2.837864     -8.031039      3.881649
  H      -1.433108     -7.804497      2.842158
  H      -6.053294     -6.198854      1.521637
  H      -5.910078     -6.990623      3.072061
  H      -3.877944     -6.153867      0.979921
  H      -3.912532     -7.768915      1.736248
  H      -1.669028     -3.601527      0.996175
  H      -3.217543     -4.394338      0.631430
  H      -0.964774     -5.316852      2.507009
  H      -1.619171     -6.146231      1.071597
  C      -3.467755     -2.212010      2.275359
  C      -3.348495     -1.665542      0.962716
  C      -3.618908     -0.347333      0.642334
  C      -3.494510      0.047770     -0.786519
  O      -2.973829     -0.670233     -1.634561
  C      -4.043891      0.561750      1.669685
  C      -4.285911      2.000509      1.508551
  O      -4.056602      2.685169      0.517720
  C      -4.212582      0.050540      2.945940
  C      -3.965196     -1.298902      3.294159
  C      -4.247199     -1.660770      4.626581
  O      -4.205022     -2.854942      5.103654
  C      -6.313755     -4.035375      2.841330
  C      -6.842162     -3.342562      3.964122
  C      -7.817709     -2.360165      3.878646
  C      -8.168676     -1.737810      5.173472
  O      -8.763685     -0.682727      5.343145
  C      -8.375010     -2.015319      2.606671
  C      -9.461692     -1.039478      2.411588
  O      -9.861030     -0.684866      1.303087
  C      -7.871971     -2.688804      1.496752
  C      -6.856755     -3.659007      1.549881
  C      -6.351546     -4.056740      0.240196
  O      -5.351607     -4.734303     -0.016441
  C      -1.984668     -5.443865      6.735066
  C      -0.689283     -5.625381      7.297431
  C      -0.370891     -5.264324      8.597824
  C       1.030724     -5.515727      9.048739
  O       1.941707     -5.739308      8.263361
  C      -1.374304     -4.713439      9.453297
  C      -1.149998     -4.237237     10.822436
  O      -0.066562     -4.067023     11.371644
  C      -2.667668     -4.593517      8.943875
  C      -3.007298     -4.927886      7.624086
  C      -4.388380     -4.874610      7.246422
  O      -4.827870     -5.079631      6.086290
  H      -3.053968     -2.299709      0.128910
  H      -3.910337      1.040093     -1.050528
  H      -4.711245      2.472170      2.431554
  H      -4.557460      0.722592      3.737887
  H      -4.573875     -0.882484      5.329277
  H      -6.473591     -3.632273      4.947754
  H      -7.791986     -2.322367      6.052263
  H      -9.925672     -0.637334      3.335563
  H      -8.284563     -2.419775      0.519869
  H      -6.954034     -3.631637     -0.598328
  H       0.113937     -6.044935      6.690791
  H       1.201268     -5.507720     10.143208
  H      -2.101080     -4.007213     11.367235
  H      -3.457041     -4.213024      9.600013
  H      -5.131927     -4.725398      8.049269
  N      -1.663054     -3.305966      4.735184
  H      -1.580121     -3.071823      5.730498
  H      -1.666508     -2.424905      4.214096
  H      -0.799612     -3.792642      4.480826
  N      -4.561984     -6.912533      4.644066
  N      -4.835793     -7.837336      5.193479
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.914580260285
  N      -3.107689     -3.477809      2.533826
  C      -2.476620     -4.195341      1.430504
  C      -1.874922     -5.482249      1.937603
  N      -2.844909     -6.198421      2.809218
  C      -3.982611     -6.689758      1.925225
  C      -5.383120     -6.291598      2.393499
  N      -5.344019     -4.980461      3.061535
  Mo     -3.642556     -4.583305      4.272879
  N      -2.251591     -5.741248      5.452570
  C      -1.397198     -6.699174      4.748541
  C      -2.114072     -7.273143      3.531189
  H      -1.110878     -7.523517      5.420741
  H      -0.453473     -6.213397      4.428683
  H      -2.830113     -8.026065      3.862018
  H      -1.410380     -7.777004      2.848773
  H      -6.020329     -6.200299      1.504298
  H      -5.892274     -7.004050      3.054214
  H      -3.856030     -6.159886      0.978083
  H      -3.885979     -7.768860      1.739093
  H      -1.666796     -3.585225      0.997034
  H      -3.207453     -4.386262      0.626239
  H      -0.964570     -5.287759      2.521129
  H      -1.601333     -6.128555      1.084990
  C      -3.475081     -2.198607      2.265719
  C      -3.352185     -1.655710      0.951785
  C      -3.627916     -0.340163      0.625140
  C      -3.498372      0.047906     -0.804939
  O      -2.967629     -0.671424     -1.645696
  C      -4.064690      0.570016      1.646583
  C      -4.313459      2.006035      1.477565
  O      -4.082383      2.686967      0.484472
  C      -4.237351      0.061836      2.923610
  C      -3.983033     -1.284467      3.277916
  C      -4.271031     -1.643826      4.609913
  O      -4.223096     -2.832722      5.096070
  C      -6.311804     -4.048198      2.831915
  C      -6.834141     -3.354011      3.957192
  C      -7.807298     -2.369356      3.880069
  C      -8.144610     -1.745752      5.177293
  O      -8.738401     -0.690882      5.353048
  C      -8.371936     -2.021645      2.611793
  C      -9.455896     -1.042424      2.424536
  O      -9.864354     -0.687657      1.319253
  C      -7.876828     -2.695415      1.499060
  C      -6.862557     -3.667457      1.542288
  C      -6.369410     -4.051815      0.224302
  O      -5.372896     -4.726925     -0.052175
  C      -1.991277     -5.456779      6.738376
  C      -0.699651     -5.669471      7.310112
  C      -0.381120     -5.309491      8.606749
  C       1.015854     -5.597482      9.065594
  O       1.921894     -5.845733      8.284891
  C      -1.370480     -4.728807      9.460781
  C      -1.133299     -4.251888     10.825715
  O      -0.044463     -4.109424     11.373318
  C      -2.658575     -4.580576      8.945451
  C      -2.998971     -4.912433      7.626642
  C      -4.381756     -4.832346      7.250737
  O      -4.835274     -5.038570      6.102624
  H      -3.052290     -2.291558      0.121318
  H      -3.919372      1.035827     -1.077212
  H      -4.746584      2.479924      2.395796
  H      -4.591723      0.734171      3.711103
  H      -4.608480     -0.862205      5.304579
  H      -6.459174     -3.644650      4.938277
  H      -7.757670     -2.329090      6.052469
  H      -9.909846     -0.636800      3.351991
  H      -8.293214     -2.422752      0.524781
  H      -6.977291     -3.613413     -0.603183
  H       0.096320     -6.110624      6.709648
  H       1.180217     -5.592175     10.161035
  H      -2.076956     -3.992050     11.369579
  H      -3.442249     -4.180056      9.596517
  H      -5.112779     -4.657222      8.061502
  N      -1.650822     -3.279942      4.749212
  H      -1.579030     -3.040731      5.743660
  H      -1.660041     -2.404427      4.220006
  H      -0.784396     -3.765639      4.504294
  N      -4.591605     -6.973661      4.699344
  N      -4.843258     -7.868163      5.303797
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.923170266937
  N      -3.113388     -3.456997      2.535353
  C      -2.481542     -4.175538      1.433292
  C      -1.877719     -5.458387      1.944169
  N      -2.846376     -6.181298      2.813326
  C      -3.974764     -6.680531      1.930547
  C      -5.370787     -6.286233      2.397494
  N      -5.339961     -4.982914      3.074273
  Mo     -3.640306     -4.564090      4.273354
  N      -2.259466     -5.741103      5.455137
  C      -1.399498     -6.688990      4.746635
  C      -2.115215     -7.255156      3.529602
  H      -1.111489     -7.519874      5.410164
  H      -0.455358     -6.200241      4.434470
  H      -2.831999     -8.016222      3.844507
  H      -1.402392     -7.750315      2.849181
  H      -6.002719     -6.191126      1.504489
  H      -5.877188     -7.007770      3.052799
  H      -3.847905     -6.157461      0.978503
  H      -3.872681     -7.759399      1.746350
  H      -1.672906     -3.565238      0.997882
  H      -3.210182     -4.370026      0.627505
  H      -0.970541     -5.258034      2.530685
  H      -1.596742     -6.106986      1.095626
  C      -3.483076     -2.179295      2.265244
  C      -3.364589     -1.641412      0.949408
  C      -3.647847     -0.328994      0.617365
  C      -3.524663      0.048730     -0.815720
  O      -2.994375     -0.676009     -1.652069
  C      -4.088707      0.583254      1.635330
  C      -4.344874      2.016721      1.458918
  O      -4.118134      2.693009      0.461701
  C      -4.257718      0.079086      2.914538
  C      -3.995561     -1.264233      3.273719
  C      -4.283649     -1.622485      4.606165
  O      -4.229500     -2.808128      5.096905
  C      -6.310969     -4.055573      2.838402
  C      -6.841480     -3.353863      3.955038
  C      -7.813241     -2.368867      3.865321
  C      -8.155612     -1.733943      5.155234
  O      -8.752610     -0.679145      5.320276
  C      -8.368669     -2.029396      2.590118
  C      -9.449002     -1.049743      2.387635
  O      -9.852155     -0.705356      1.277120
  C      -7.865988     -2.711970      1.486204
  C      -6.852498     -3.684282      1.543278
  C      -6.342608     -4.075055      0.233700
  O      -5.342841     -4.752564     -0.024820
  C      -1.992474     -5.469625      6.740036
  C      -0.705555     -5.717188      7.315795
  C      -0.381117     -5.361042      8.609734
  C       1.010226     -5.688144      9.070109
  O       1.908819     -5.959725      8.289909
  C      -1.353285     -4.752101      9.466166
  C      -1.099668     -4.277552     10.827338
  O      -0.005126     -4.164593     11.371399
  C      -2.636754     -4.573877      8.949904
  C      -2.982301     -4.899374      7.631452
  C      -4.365528     -4.794429      7.260578
  O      -4.834866     -4.997925      6.121968
  H      -3.065492     -2.279634      0.120541
  H      -3.954026      1.030836     -1.095628
  H      -4.779453      2.493761      2.374767
  H      -4.616772      0.752002      3.699331
  H      -4.628376     -0.838902      5.295590
  H      -6.473170     -3.637632      4.940265
  H      -7.768871     -2.307892      6.036710
  H      -9.905665     -0.633115      3.308829
  H      -8.273516     -2.444762      0.506784
  H      -6.937697     -3.639240     -0.604223
  H       0.080249     -6.179243      6.718153
  H       1.171684     -5.688963     10.165991
  H      -2.033680     -3.988552     11.372769
  H      -3.412053     -4.155036      9.599409
  H      -5.082239     -4.597892      8.080558
  N      -1.634371     -3.259016      4.763347
  H      -1.569532     -3.016668      5.757115
  H      -1.648230     -2.387624      4.228290
  H      -0.766881     -3.745112      4.524185
  N      -4.623330     -7.030411      4.761495
  N      -4.852097     -7.895207      5.415084
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.930610071779
  N      -3.108271     -3.439428      2.525750
  C      -2.468730     -4.160884      1.429543
  C      -1.866479     -5.439978      1.948476
  N      -2.839614     -6.166457      2.811446
  C      -3.956344     -6.678968      1.927726
  C      -5.351821     -6.289352      2.392355
  N      -5.328665     -4.991757      3.074594
  Mo     -3.635248     -4.545552      4.257604
  N      -2.272662     -5.735760      5.450305
  C      -1.401608     -6.675583      4.745227
  C      -2.110585     -7.239524      3.527871
  H      -1.114686     -7.509706      5.405229
  H      -0.456446     -6.183243      4.443541
  H      -2.827875     -8.006355      3.828999
  H      -1.388175     -7.728002      2.851943
  H      -5.980674     -6.198700      1.497528
  H      -5.849922     -7.018693      3.046466
  H      -3.828878     -6.168953      0.968487
  H      -3.846782     -7.758655      1.752866
  H      -1.658481     -3.551283      0.996186
  H      -3.191303     -4.359487      0.619572
  H      -0.965900     -5.233616      2.543063
  H      -1.573468     -6.091672      1.106469
  C      -3.478828     -2.162757      2.249049
  C      -3.354772     -1.629862      0.932045
  C      -3.642438     -0.319847      0.593024
  C      -3.513980      0.051285     -0.841411
  O      -2.973180     -0.673532     -1.670768
  C      -4.095045      0.593694      1.604455
  C      -4.356706      2.024895      1.418991
  O      -4.126574      2.696223      0.419352
  C      -4.269694      0.093736      2.884371
  C      -4.002007     -1.246441      3.250166
  C      -4.297340     -1.603224      4.581226
  O      -4.237249     -2.786281      5.075347
  C      -6.306527     -4.068324      2.841374
  C      -6.830335     -3.371951      3.963959
  C      -7.804845     -2.388619      3.887299
  C      -8.134644     -1.756962      5.181816
  O      -8.736655     -0.706520      5.355754
  C      -8.371912     -2.046012      2.618319
  C      -9.455327     -1.067289      2.427894
  O      -9.871336     -0.723428      1.322133
  C      -7.876559     -2.722980      1.508031
  C      -6.859088     -3.691982      1.550999
  C      -6.357938     -4.062714      0.231847
  O      -5.356473     -4.729385     -0.046127
  C      -2.005467     -5.473131      6.737442
  C      -0.727334     -5.750430      7.321923
  C      -0.402099     -5.396046      8.615721
  C       0.979855     -5.756328      9.083316
  O       1.876179     -6.048203      8.307664
  C      -1.363309     -4.762513      9.468296
  C      -1.102372     -4.287974     10.826962
  O      -0.006626     -4.199682     11.373673
  C      -2.639965     -4.559799      8.945886
  C      -2.984315     -4.880933      7.625875
  C      -4.364295     -4.758544      7.252127
  O      -4.840386     -4.960631      6.116681
  H      -3.049796     -2.270048      0.106896
  H      -3.947019      1.029542     -1.128829
  H      -4.799499      2.505181      2.329089
  H      -4.638360      0.767298      3.664052
  H      -4.653412     -0.818786      5.264150
  H      -6.453068     -3.658151      4.945258
  H      -7.732645     -2.328990      6.057606
  H      -9.901441     -0.650667      3.354175
  H      -8.291413     -2.450784      0.533089
  H      -6.961018     -3.615859     -0.594260
  H       0.052085     -6.230935      6.731120
  H       1.133580     -5.761615     10.180292
  H      -2.030186     -3.973158     11.368395
  H      -3.410866     -4.125437      9.590298
  H      -5.073602     -4.543821      8.074813
  N      -1.622247     -3.240885      4.769461
  H      -1.568816     -2.993992      5.762429
  H      -1.637653     -2.373689      4.228203
  H      -0.752127     -3.726777      4.540658
  N      -4.652260     -7.088402      4.814054
  N      -4.860664     -7.923242      5.511194
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.937132365311
  N      -3.103803     -3.419029      2.521663
  C      -2.462514     -4.143139      1.427215
  C      -1.861208     -5.420319      1.949688
  N      -2.837845     -6.147188      2.809319
  C      -3.946935     -6.669045      1.926537
  C      -5.340322     -6.284314      2.397664
  N      -5.317766     -4.995260      3.089410
  Mo     -3.626483     -4.524491      4.244900
  N      -2.283937     -5.729573      5.444063
  C      -1.405546     -6.663910      4.740384
  C      -2.112719     -7.223989      3.523905
  H      -1.121063     -7.501466      5.397076
  H      -0.459005     -6.170158      4.446437
  H      -2.832801     -7.992335      3.816618
  H      -1.387012     -7.708821      2.848383
  H      -5.972403     -6.197859      1.504490
  H      -5.824970     -7.022675      3.052617
  H      -3.821692     -6.171387      0.959810
  H      -3.832565     -7.749645      1.760924
  H      -1.651789     -3.534945      0.992852
  H      -3.184289     -4.343495      0.616872
  H      -0.964606     -5.210844      2.549071
  H      -1.561055     -6.074115      1.111895
  C      -3.475534     -2.142849      2.239635
  C      -3.353252     -1.616312      0.920572
  C      -3.647444     -0.309058      0.575350
  C      -3.524133      0.053503     -0.861812
  O      -2.984182     -0.675468     -1.688068
  C      -4.104796      0.606731      1.582531
  C      -4.372687      2.035965      1.389339
  O      -4.144739      2.702436      0.386025
  C      -4.278113      0.111956      2.864609
  C      -4.003962     -1.225257      3.235946
  C      -4.300584     -1.581722      4.566696
  O      -4.233799     -2.764304      5.060048
  C      -6.302105     -4.075319      2.858093
  C      -6.830929     -3.380026      3.978048
  C      -7.807781     -2.398674      3.897192
  C      -8.140594     -1.763498      5.189123
  O      -8.750166     -0.716714      5.359254
  C      -8.371758     -2.059877      2.625680
  C      -9.456362     -1.083080      2.428895
  O      -9.872358     -0.746897      1.320852
  C      -7.871408     -2.737737      1.518155
  C      -6.851250     -3.703739      1.566326
  C      -6.337339     -4.071274      0.250713
  O      -5.331819     -4.735370     -0.017569
  C      -2.013721     -5.476702      6.734402
  C      -0.744247     -5.782299      7.322928
  C      -0.414284     -5.432521      8.617485
  C       0.957658     -5.823414      9.088114
  O       1.851146     -6.131460      8.314541
  C      -1.364114     -4.779185      9.468446
  C      -1.094662     -4.306978     10.825927
  O       0.002218     -4.241726     11.373791
  C      -2.635453     -4.553566      8.943983
  C      -2.981833     -4.867477      7.622279
  C      -4.358220     -4.730827      7.247954
  O      -4.838665     -4.928429      6.112672
  H      -3.047504     -2.259221      0.097805
  H      -3.965718      1.026023     -1.155518
  H      -4.817876      2.519616      2.296461
  H      -4.651766      0.786694      3.640906
  H      -4.664601     -0.798397      5.246824
  H      -6.456581     -3.663938      4.960855
  H      -7.733066     -2.328544      6.066890
  H      -9.902568     -0.660752      3.352485
  H      -8.282856     -2.467102      0.541341
  H      -6.934605     -3.625950     -0.580441
  H       0.028159     -6.278163      6.736201
  H       1.106260     -5.836057     10.185766
  H      -2.015722     -3.969873     11.365435
  H      -3.400910     -4.106992      9.586510
  H      -5.062574     -4.503327      8.071740
  N      -1.606181     -3.228655      4.775663
  H      -1.560484     -2.979191      5.768154
  H      -1.621313     -2.363697      4.231062
  H      -0.734722     -3.715033      4.553756
  N      -4.678746     -7.143972      4.871917
  N      -4.865661     -7.951616      5.604341
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.942807764833
  N      -3.091790     -3.401453      2.508853
  C      -2.446301     -4.129560      1.418023
  C      -1.847931     -5.405466      1.945972
  N      -2.830517     -6.129509      2.801752
  C      -3.932963     -6.662184      1.919750
  C      -5.325621     -6.283437      2.398258
  N      -5.302587     -5.000593      3.097610
  Mo     -3.614487     -4.503785      4.222425
  N      -2.296141     -5.720095      5.434092
  C      -1.408848     -6.650787      4.735762
  C      -2.111312     -7.209543      3.518527
  H      -1.129038     -7.489884      5.392389
  H      -0.460519     -6.156094      4.450025
  H      -2.835596     -7.975947      3.806279
  H      -1.383859     -7.693690      2.844248
  H      -5.963591     -6.205764      1.508982
  H      -5.793261     -7.029352      3.056909
  H      -3.810221     -6.178902      0.945335
  H      -3.813541     -7.744268      1.767680
  H      -1.633940     -3.523455      0.983865
  H      -3.166429     -4.332085      0.606969
  H      -0.956217     -5.193625      2.551796
  H      -1.540037     -6.061726      1.113002
  C      -3.463595     -2.125533      2.218998
  C      -3.337101     -1.605267      0.898428
  C      -3.634469     -0.300039      0.546379
  C      -3.508835      0.056476     -0.892114
  O      -2.960543     -0.672140     -1.713230
  C      -4.099652      0.618006      1.547659
  C      -4.370851      2.045823      1.346821
  O      -4.140165      2.708059      0.341389
  C      -4.277268      0.128515      2.831135
  C      -3.999276     -1.205936      3.208908
  C      -4.300611     -1.561306      4.538764
  O      -4.227882     -2.743843      5.030768
  C      -6.296154     -4.084062      2.875465
  C      -6.822475     -3.399049      4.001775
  C      -7.805619     -2.422487      3.931986
  C      -8.132616     -1.794441      5.228771
  O      -8.752904     -0.755360      5.407942
  C      -8.379249     -2.080912      2.665828
  C      -9.470576     -1.108786      2.479438
  O      -9.897645     -0.774290      1.375187
  C      -7.881164     -2.749462      1.551807
  C      -6.853902     -3.708569      1.588623
  C      -6.341388     -4.056449      0.266552
  O      -5.330432     -4.706619     -0.013496
  C      -2.028247     -5.474070      6.727953
  C      -0.769116     -5.802180      7.324156
  C      -0.439396     -5.455918      8.620589
  C       0.921074     -5.870713      9.099117
  O       1.815967     -6.190397      8.331167
  C      -1.383657     -4.787330      9.465689
  C      -1.112782     -4.316150     10.823435
  O      -0.017583     -4.269113     11.376374
  C      -2.648874     -4.544232      8.935401
  C      -2.992078     -4.852102      7.611048
  C      -4.363880     -4.707389      7.230659
  O      -4.839278     -4.901336      6.092163
  H      -3.026907     -2.250759      0.079354
  H      -3.951857      1.026736     -1.191037
  H      -4.821638      2.532475      2.249544
  H      -4.657372      0.804926      3.602852
  H      -4.673819     -0.779952      5.216140
  H      -6.441612     -3.686206      4.981044
  H      -7.709901     -2.357176      6.100798
  H      -9.909910     -0.688664      3.407233
  H      -8.298936     -2.474567      0.578863
  H      -6.944709     -3.604462     -0.556611
  H       0.000176     -6.310315      6.744298
  H       1.061081     -5.890718     10.197815
  H      -2.030245     -3.961290     11.357639
  H      -3.412399     -4.088596      9.573834
  H      -5.071049     -4.472582      8.049917
  N      -1.590999     -3.218867      4.775202
  H      -1.554868     -2.966288      5.767155
  H      -1.602840     -2.355550      4.227969
  H      -0.717314     -3.705158      4.562323
  N      -4.701492     -7.199123      4.925053
  N      -4.869059     -7.981372      5.688680
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.947658794164
  N      -3.077793     -3.383494      2.496808
  C      -2.431235     -4.115368      1.407475
  C      -1.835792     -5.391307      1.938819
  N      -2.823533     -6.110465      2.792704
  C      -3.922784     -6.650258      1.912631
  C      -5.313348     -6.278409      2.403267
  N      -5.287618     -5.002116      3.111867
  Mo     -3.599439     -4.482478      4.201659
  N      -2.304979     -5.710885      5.424685
  C      -1.411504     -6.639135      4.729808
  C      -2.111684     -7.195281      3.511771
  H      -1.137003     -7.479935      5.386290
  H      -0.461431     -6.144705      4.450009
  H      -2.842332     -7.956244      3.798978
  H      -1.386318     -7.681836      2.837088
  H      -5.960946     -6.208670      1.520337
  H      -5.761591     -7.032181      3.066572
  H      -3.804239     -6.178806      0.931865
  H      -3.799835     -7.733719      1.773340
  H      -1.617915     -3.511700      0.971894
  H      -3.152535     -4.319015      0.597961
  H      -0.947292     -5.179081      2.549281
  H      -1.523516     -6.049356      1.108919
  C      -3.450600     -2.107820      2.200443
  C      -3.324470     -1.593856      0.878065
  C      -3.626460     -0.290833      0.520145
  C      -3.504245      0.059116     -0.920010
  O      -2.959173     -0.673973     -1.739560
  C      -4.095529      0.629716      1.517128
  C      -4.370692      2.056202      1.310398
  O      -4.140718      2.715262      0.302659
  C      -4.273309      0.145448      2.802666
  C      -3.990874     -1.186405      3.185859
  C      -4.293951     -1.540912      4.515554
  O      -4.215390     -2.724218      5.004765
  C      -6.289848     -4.088601      2.898721
  C      -6.817331     -3.410566      4.027527
  C      -7.806444     -2.438853      3.961431
  C      -8.133113     -1.814450      5.259928
  O      -8.765077     -0.782888      5.443087
  C      -8.384886     -2.098402      2.697233
  C      -9.482166     -1.131584      2.514125
  O      -9.916459     -0.802646      1.410977
  C      -7.884965     -2.761290      1.580708
  C      -6.851376     -3.713910      1.614228
  C      -6.334107     -4.051336      0.290828
  O      -5.319797     -4.695320      0.009643
  C      -2.039757     -5.471682      6.721515
  C      -0.790083     -5.819018      7.324593
  C      -0.461410     -5.477615      8.623215
  C       0.888492     -5.912626      9.108979
  O       1.785852     -6.239048      8.346173
  C      -1.402148     -4.798220      9.463401
  C      -1.131401     -4.329320     10.822333
  O      -0.038132     -4.297339     11.380131
  C      -2.662090     -4.540767      8.928036
  C      -3.001540     -4.841354      7.600819
  C      -4.369755     -4.692496      7.214111
  O      -4.835991     -4.881189      6.070993
  H      -3.012338     -2.241895      0.061766
  H      -3.955610      1.024038     -1.223816
  H      -4.823582      2.545122      2.210878
  H      -4.657160      0.823573      3.571068
  H      -4.674697     -0.762585      5.192109
  H      -6.433742     -3.697816      5.005387
  H      -7.698059     -2.371918      6.129319
  H      -9.917960     -0.710515      3.443095
  H      -8.305645     -2.486034      0.609098
  H      -6.940482     -3.600754     -0.530988
  H      -0.022615     -6.336251      6.750569
  H       1.020127     -5.942497     10.208546
  H      -2.046219     -3.960623     11.351741
  H      -3.424578     -4.079298      9.563573
  H      -5.083297     -4.456472      8.027476
  N      -1.572578     -3.212556      4.773865
  H      -1.543948     -2.958297      5.765612
  H      -1.579355     -2.349216      4.226384
  H      -0.697035     -3.698614      4.567990
  N      -4.721591     -7.254069      4.980176
  N      -4.868663     -8.013404      5.769379
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.951709984985
  N      -3.060660     -3.368092      2.480351
  C      -2.414263     -4.104742      1.392626
  C      -1.822897     -5.381263      1.928019
  N      -2.815955     -6.093299      2.781206
  C      -3.913917     -6.638262      1.903880
  C      -5.301529     -6.273239      2.407739
  N      -5.273725     -5.001988      3.124532
  Mo     -3.583371     -4.461828      4.179172
  N      -2.312716     -5.701909      5.415214
  C      -1.414184     -6.628240      4.723558
  C      -2.112786     -7.182267      3.504660
  H      -1.144860     -7.470234      5.380422
  H      -0.462708     -6.134314      4.448166
  H      -2.851193     -7.935084      3.794444
  H      -1.391134     -7.674258      2.830216
  H      -5.960354     -6.211865      1.532793
  H      -5.729506     -7.033666      3.076692
  H      -3.800137     -6.177262      0.917800
  H      -3.788246     -7.723094      1.777741
  H      -1.599844     -3.504393      0.954785
  H      -3.137671     -4.309696      0.585453
  H      -0.936943     -5.169487      2.542400
  H      -1.508111     -6.041625      1.100933
  C      -3.433697     -2.092617      2.177716
  C      -3.305763     -1.584157      0.854056
  C      -3.609621     -0.282631      0.490743
  C      -3.487776      0.062430     -0.950265
  O      -2.933358     -0.668098     -1.766074
  C      -4.082164      0.640484      1.483358
  C      -4.358312      2.066155      1.271445
  O      -4.127038      2.722265      0.262069
  C      -4.262210      0.160923      2.770492
  C      -3.977676     -1.168857      3.158888
  C      -4.283519     -1.521566      4.488509
  O      -4.200682     -2.705416      4.975958
  C      -6.285498     -4.092322      2.922649
  C      -6.814322     -3.425456      4.056391
  C      -7.812522     -2.461773      3.998365
  C      -8.139123     -1.846368      5.301032
  O      -8.787106     -0.826225      5.492826
  C      -8.399370     -2.121023      2.738337
  C      -9.506236     -1.163066      2.563605
  O      -9.951139     -0.838057      1.463516
  C      -7.896834     -2.772790      1.616582
  C      -6.853550     -3.715270      1.642107
  C      -6.333468     -4.034580      0.314906
  O      -5.310579     -4.661214      0.026925
  C      -2.051837     -5.467601      6.714232
  C      -0.810673     -5.829640      7.325246
  C      -0.485448     -5.491556      8.625821
  C       0.855188     -5.942024      9.120101
  O       1.756645     -6.271593      8.363245
  C      -1.425135     -4.804009      9.460452
  C      -1.156414     -4.336068     10.820263
  O      -0.065427     -4.315777     11.383104
  C      -2.680218     -4.536489      8.919028
  C      -3.013917     -4.831372      7.589075
  C      -4.379206     -4.682194      7.194163
  O      -4.832774     -4.865737      6.045589
  H      -2.990864     -2.234490      0.040666
  H      -3.934330      1.029022     -1.255980
  H      -4.813803      2.557351      2.169374
  H      -4.648999      0.841103      3.535593
  H      -4.671042     -0.745825      5.163990
  H      -6.425420     -3.714172      5.031352
  H      -7.688395     -2.399506      6.165216
  H      -9.937803     -0.744891      3.495752
  H      -8.322686     -2.495575      0.647806
  H      -6.943823     -3.579700     -0.501634
  H      -0.043429     -6.353783      6.757267
  H       0.977459     -5.981814     10.220482
  H      -2.069727     -3.956737     11.344696
  H      -3.443117     -4.070952      9.551120
  H      -5.101645     -4.449263      8.000602
  N      -1.553428     -3.208542      4.768860
  H      -1.531877     -2.952872      5.760440
  H      -1.553365     -2.344450      4.222208
  H      -0.676055     -3.694331      4.569797
  N      -4.742512     -7.308430      5.035361
  N      -4.870286     -8.046061      5.847879
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -3925.543093387022
  N      -3.039758     -3.352207      2.464977
  C      -2.393065     -4.092344      1.378581
  C      -1.806833     -5.370451      1.917086
  N      -2.806106     -6.075215      2.768369
  C      -3.904069     -6.621738      1.892343
  C      -5.288635     -6.264542      2.410190
  N      -5.260004     -4.998311      3.136069
  Mo     -3.565809     -4.441710      4.159101
  N      -2.317986     -5.694921      5.407389
  C      -1.415786     -6.618740      4.717170
  C      -2.114073     -7.169016      3.496952
  H      -1.151203     -7.462698      5.373280
  H      -0.463147     -6.125273      4.445360
  H      -2.862478     -7.911066      3.790149
  H      -1.397255     -7.668946      2.823483
  H      -5.959627     -6.209456      1.544134
  H      -5.696757     -7.031919      3.083820
  H      -3.795011     -6.167095      0.903126
  H      -3.776223     -7.707522      1.776150
  H      -1.577201     -3.494997      0.939629
  H      -3.118130     -4.297509      0.573330
  H      -0.923454     -5.160572      2.535921
  H      -1.490227     -6.032312      1.091891
  C      -3.414314     -2.077340      2.157839
  C      -3.286833     -1.573515      0.833038
  C      -3.594211     -0.273857      0.465055
  C      -3.474894      0.065894     -0.976929
  O      -2.936214     -0.675282     -1.793977
  C      -4.069483      0.651257      1.454381
  C      -4.348239      2.075917      1.238615
  O      -4.117219      2.730392      0.228062
  C      -4.249776      0.175440      2.743086
  C      -3.962412     -1.152429      3.135802
  C      -4.271191     -1.503990      4.465233
  O      -4.184990     -2.688459      4.951297
  C      -6.280334     -4.092563      2.944561
  C      -6.806597     -3.430706      4.081460
  C      -7.813359     -2.474852      4.029768
  C      -8.136500     -1.862761      5.334818
  O      -8.799365     -0.853348      5.532815
  C      -8.411896     -2.139373      2.773973
  C      -9.528334     -1.190860      2.606404
  O      -9.987271     -0.875338      1.509310
  C      -7.909913     -2.785161      1.648626
  C      -6.857709     -3.717915      1.667864
  C      -6.339893     -4.028165      0.337295
  O      -5.317099     -4.651452      0.043002
  C      -2.062564     -5.465523      6.708311
  C      -0.828759     -5.839089      7.327396
  C      -0.508926     -5.504391      8.630142
  C       0.823916     -5.966999      9.133107
  O       1.730839     -6.295393      8.382171
  C      -1.449459     -4.811865      9.459856
  C      -1.183993     -4.345293     10.820641
  O      -0.095162     -4.333236     11.388102
  C      -2.700208     -4.537421      8.912011
  C      -3.026617     -4.826618      7.579169
  C      -4.389413     -4.680026      7.174907
  O      -4.828639     -4.857382      6.020223
  H      -2.969541     -2.225602      0.022000
  H      -3.937366      1.023162     -1.288349
  H      -4.804651      2.568458      2.135359
  H      -4.639140      0.857036      3.505614
  H      -4.665762     -0.731008      5.139594
  H      -6.408863     -3.715745      5.053686
  H      -7.666893     -2.406831      6.194747
  H      -9.952971     -0.771111      3.540919
  H      -8.343546     -2.510673      0.682517
  H      -6.960924     -3.581044     -0.475551
  H      -0.060719     -6.367635      6.764524
  H       0.935845     -6.018307     10.234152
  H      -2.096561     -3.957804     11.340346
  H      -3.464762     -4.070078      9.540810
  H      -5.121709     -4.454896      7.974773
  N      -1.533269     -3.206026      4.766122
  H      -1.518663     -2.950842      5.758022
  H      -1.525452     -2.339806      4.222469
  H      -0.654017     -3.691058      4.572943
  N      -4.762887     -7.364849      5.087600
  N      -4.870919     -8.082399      5.919868
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.957361996331
  N      -3.016266     -3.338357      2.450863
  C      -2.368609     -4.082333      1.366458
  C      -1.789109     -5.362230      1.909042
  N      -2.796298     -6.059080      2.756996
  C      -3.893507     -6.604697      1.880473
  C      -5.275326     -6.253792      2.410845
  N      -5.244868     -4.993175      3.146656
  Mo     -3.547898     -4.423334      4.139313
  N      -2.324195     -5.688758      5.399118
  C      -1.418223     -6.611055      4.711724
  C      -2.116853     -7.158489      3.491191
  H      -1.158665     -7.456154      5.368111
  H      -0.464423     -6.118547      4.442745
  H      -2.876162     -7.888394      3.788636
  H      -1.405372     -7.667394      2.818992
  H      -5.957821     -6.203709      1.553269
  H      -5.665406     -7.026869      3.088001
  H      -3.787336     -6.156366      0.888391
  H      -3.764919     -7.691436      1.774026
  H      -1.550490     -3.488521      0.927387
  H      -3.094621     -4.287295      0.562397
  H      -0.909070     -5.154524      2.533414
  H      -1.470004     -6.025627      1.086163
  C      -3.392972     -2.064414      2.138278
  C      -3.267614     -1.565794      0.811846
  C      -3.581002     -0.268705      0.438601
  C      -3.467195      0.064835     -1.004872
  O      -2.945072     -0.687058     -1.823280
  C      -4.059219      0.658377      1.424547
  C      -4.343685      2.081335      1.203978
  O      -4.115812      2.733721      0.191220
  C      -4.237386      0.187056      2.715318
  C      -3.945289     -1.138209      3.112798
  C      -4.255531     -1.488432      4.442275
  O      -4.166537     -2.673599      4.926853
  C      -6.273088     -4.090350      2.966577
  C      -6.798915     -3.437665      4.107891
  C      -7.814270     -2.489884      4.063974
  C      -8.138061     -1.886681      5.373049
  O      -8.817127     -0.889676      5.579701
  C      -8.421993     -2.155687      2.812431
  C      -9.548835     -1.217525      2.653285
  O     -10.019819     -0.908050      1.559479
  C      -7.917381     -2.790336      1.681955
  C      -6.855744     -3.712519      1.693766
  C      -6.335257     -4.007322      0.360334
  O      -5.309203     -4.622493      0.061363
  C      -2.073832     -5.462673      6.701459
  C      -0.847000     -5.846322      7.328003
  C      -0.532191     -5.513625      8.632431
  C       0.793898     -5.985917      9.142988
  O       1.706470     -6.311871      8.397420
  C      -1.474258     -4.816890      9.457417
  C      -1.211910     -4.350540     10.818831
  O      -0.124890     -4.344653     11.390249
  C      -2.721251     -4.537520      8.903872
  C      -3.040476     -4.822007      7.568327
  C      -4.400522     -4.680096      7.154106
  O      -4.824433     -4.851619      5.992998
  H      -2.948271     -2.219730      0.003145
  H      -3.948382      1.011130     -1.321478
  H      -4.801046      2.575033      2.099603
  H      -4.629602      0.869919      3.475206
  H      -4.656387     -0.718031      5.115645
  H      -6.394582     -3.722708      5.077111
  H      -7.651926     -2.424658      6.227640
  H      -9.969619     -0.800954      3.590841
  H      -8.356554     -2.514834      0.718662
  H      -6.964455     -3.565497     -0.449169
  H      -0.077963     -6.378655      6.770005
  H       0.896294     -6.048032     10.244422
  H      -2.123930     -3.956090     11.334131
  H      -3.487670     -4.069049      9.529521
  H      -5.143301     -4.464098      7.946874
  N      -1.513575     -3.208415      4.762681
  H      -1.505775     -2.952480      5.754619
  H      -1.496262     -2.340742      4.221084
  H      -0.633116     -3.694330      4.576381
  N      -4.784780     -7.413225      5.132469
  N      -4.898893     -8.108929      5.985025
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.959531743341
  N      -3.000522     -3.328853      2.438316
  C      -2.357136     -4.077881      1.354136
  C      -1.782994     -5.359432      1.899707
  N      -2.795121     -6.047393      2.748309
  C      -3.895082     -6.588787      1.873942
  C      -5.272008     -6.243320      2.418874
  N      -5.239657     -4.986795      3.162629
  Mo     -3.534907     -4.407355      4.127392
  N      -2.328956     -5.686541      5.395074
  C      -1.423539     -6.607423      4.705876
  C      -2.128159     -7.152345      3.487985
  H      -1.164681     -7.453726      5.360917
  H      -0.470094     -6.115642      4.434379
  H      -2.898654     -7.867542      3.792953
  H      -1.425034     -7.673650      2.816615
  H      -5.966858     -6.197339      1.571016
  H      -5.645648     -7.021605      3.100890
  H      -3.794222     -6.143161      0.880346
  H      -3.766757     -7.676217      1.773220
  H      -1.538143     -3.488262      0.911361
  H      -3.087048     -4.282738      0.553370
  H      -0.903448     -5.154298      2.525572
  H      -1.465792     -6.025326      1.078143
  C      -3.377313     -2.055028      2.122625
  C      -3.252162     -1.559558      0.795324
  C      -3.566910     -0.263460      0.418757
  C      -3.456903      0.066703     -1.025588
  O      -2.896033     -0.664644     -1.837222
  C      -4.044979      0.665434      1.402796
  C      -4.329675      2.087916      1.179465
  O      -4.103611      2.737999      0.164799
  C      -4.222764      0.197121      2.694768
  C      -3.929822     -1.126864      3.095427
  C      -4.241356     -1.474801      4.425060
  O      -4.151551     -2.659674      4.911206
  C      -6.273716     -4.087094      2.988373
  C      -6.809011     -3.442953      4.129554
  C      -7.835914     -2.507407      4.085063
  C      -8.172003     -1.913850      5.395598
  O      -8.875013     -0.934386      5.605955
  C      -8.445397     -2.178090      2.833104
  C      -9.584892     -1.255058      2.673565
  O     -10.061061     -0.954236      1.579566
  C      -7.927153     -2.800267      1.701844
  C      -6.853348     -3.708347      1.715002
  C      -6.317767     -3.985968      0.383446
  O      -5.273242     -4.571683      0.090059
  C      -2.078888     -5.461440      6.696879
  C      -0.855168     -5.852117      7.326459
  C      -0.540661     -5.518290      8.630395
  C       0.781836     -5.997677      9.144355
  O       1.697425     -6.320212      8.401094
  C      -1.480743     -4.816508      9.453477
  C      -1.214923     -4.347353     10.812847
  O      -0.127054     -4.346968     11.383026
  C      -2.726774     -4.534418      8.898705
  C      -3.044276     -4.817611      7.562732
  C      -4.403809     -4.680583      7.143874
  O      -4.818778     -4.848020      5.979279
  H      -2.931759     -2.214973     -0.011863
  H      -3.902740      1.032147     -1.336535
  H      -4.787848      2.583095      2.074013
  H      -4.615169      0.881730      3.453118
  H      -4.646043     -0.704996      5.096684
  H      -6.404894     -3.726005      5.098894
  H      -7.673683     -2.443323      6.248663
  H     -10.008486     -0.840332      3.610652
  H      -8.365029     -2.525665      0.737633
  H      -6.939416     -3.535365     -0.427200
  H      -0.087633     -6.388553      6.770137
  H       0.878264     -6.069691     10.245806
  H      -2.124225     -3.947040     11.328453
  H      -3.492563     -4.063558      9.523476
  H      -5.152404     -4.473843      7.933844
  N      -1.495623     -3.211303      4.759336
  H      -1.491365     -2.955622      5.751549
  H      -1.471348     -2.341787      4.220459
  H      -0.614419     -3.697560      4.576455
  N      -4.815636     -7.467276      5.190052
  N      -4.922750     -8.152374      6.051785
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.959403992491
  N      -2.996348     -3.330535      2.444016
  C      -2.356489     -4.077832      1.356765
  C      -1.781563     -5.358545      1.900125
  N      -2.796548     -6.045949      2.745550
  C      -3.896761     -6.583334      1.871173
  C      -5.272424     -6.236483      2.415293
  N      -5.237606     -4.982332      3.162960
  Mo     -3.532329     -4.412070      4.132253
  N      -2.320365     -5.693952      5.394478
  C      -1.419053     -6.611604      4.700599
  C      -2.132766     -7.151376      3.486801
  H      -1.159621     -7.460885      5.351197
  H      -0.469147     -6.116940      4.422356
  H      -2.908898     -7.860752      3.789479
  H      -1.432846     -7.679874      2.817847
  H      -5.965946     -6.189447      1.565684
  H      -5.645592     -7.015939      3.099191
  H      -3.798064     -6.135341      0.878860
  H      -3.768731     -7.669966      1.764342
  H      -1.542680     -3.487675      0.910794
  H      -3.090140     -4.283438      0.559665
  H      -0.905951     -5.150727      2.530344
  H      -1.457933     -6.026446      1.081895
  C      -3.384089     -2.058940      2.130532
  C      -3.271037     -1.568063      0.801135
  C      -3.584775     -0.271258      0.425651
  C      -3.433210      0.072591     -1.011771
  O      -2.914539     -0.684124     -1.827593
  C      -4.058173      0.658270      1.412597
  C      -4.376615      2.071788      1.180609
  O      -4.206751      2.708044      0.146781
  C      -4.222619      0.193609      2.708359
  C      -3.924788     -1.130337      3.108418
  C      -4.240782     -1.481174      4.436298
  O      -4.148831     -2.666191      4.922313
  C      -6.265437     -4.078314      2.984615
  C      -6.801765     -3.432144      4.124154
  C      -7.820209     -2.488684      4.076206
  C      -8.153004     -1.888785      5.384928
  O      -8.855307     -0.908715      5.592266
  C      -8.427038     -2.159012      2.823163
  C      -9.561983     -1.231308      2.660686
  O     -10.048303     -0.946097      1.567394
  C      -7.911714     -2.786903      1.694053
  C      -6.838520     -3.695235      1.710432
  C      -6.315694     -3.992471      0.378025
  O      -5.279426     -4.591469      0.085009
  C      -2.073912     -5.470996      6.698384
  C      -0.850376     -5.859208      7.329932
  C      -0.537302     -5.520316      8.633309
  C       0.786706     -5.993384      9.149732
  O       1.710236     -6.296256      8.408695
  C      -1.479275     -4.819414      9.454037
  C      -1.212736     -4.343626     10.810601
  O      -0.124671     -4.339860     11.379770
  C      -2.725954     -4.540841      8.897328
  C      -3.042437     -4.826967      7.561442
  C      -4.404359     -4.697484      7.143621
  O      -4.821833     -4.860422      5.979672
  H      -2.942414     -2.221821     -0.003796
  H      -3.850949      1.050089     -1.321903
  H      -4.877465      2.551921      2.060354
  H      -4.634087      0.871002      3.461555
  H      -4.649883     -0.714169      5.108974
  H      -6.392934     -3.708101      5.094065
  H      -7.652231     -2.413710      6.239104
  H      -9.976052     -0.802513      3.595403
  H      -8.351832     -2.517820      0.729390
  H      -6.934955     -3.539993     -0.433020
  H      -0.081950     -6.394467      6.774395
  H       0.875392     -6.081055     10.250813
  H      -2.122218     -3.943430     11.326187
  H      -3.493024     -4.070375      9.520760
  H      -5.154784     -4.502473      7.934868
  N      -1.494271     -3.219188      4.768047
  H      -1.490033     -2.957109      5.756820
  H      -1.467693     -2.351263      4.226065
  H      -0.613672     -3.701494      4.573941
  N      -4.820240     -7.470190      5.201460
  N      -4.929015     -8.156019      6.062169
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.959125695958
  N      -2.993344     -3.342641      2.446599
  C      -2.345868     -4.084331      1.362552
  C      -1.783137     -5.367864      1.903820
  N      -2.809856     -6.048354      2.740421
  C      -3.904940     -6.574955      1.859291
  C      -5.275697     -6.225011      2.400754
  N      -5.245122     -4.980123      3.160633
  Mo     -3.538238     -4.420821      4.136303
  N      -2.319643     -5.706681      5.391870
  C      -1.419216     -6.612812      4.689970
  C      -2.142810     -7.151849      3.483087
  H      -1.151449     -7.464679      5.333605
  H      -0.475366     -6.112625      4.402697
  H      -2.921826     -7.858888      3.789198
  H      -1.450687     -7.692761      2.816336
  H      -5.971913     -6.181798      1.555983
  H      -5.643462     -7.009266      3.082983
  H      -3.803983     -6.120450      0.871005
  H      -3.774825     -7.660136      1.738112
  H      -1.526540     -3.493166      0.926487
  H      -3.073443     -4.282384      0.558924
  H      -0.915847     -5.160240      2.545182
  H      -1.448965     -6.042686      1.094638
  C      -3.376115     -2.071877      2.134223
  C      -3.219168     -1.566989      0.813948
  C      -3.538097     -0.272273      0.438260
  C      -3.395356      0.068023     -1.000403
  O      -2.857481     -0.678309     -1.812308
  C      -4.053211      0.644449      1.414430
  C      -4.379101      2.055416      1.178961
  O      -4.155809      2.705640      0.164948
  C      -4.247374      0.169517      2.701207
  C      -3.946640     -1.152816      3.103819
  C      -4.261066     -1.496024      4.433855
  O      -4.160874     -2.677790      4.927220
  C      -6.273233     -4.077917      2.984648
  C      -6.809017     -3.438855      4.128100
  C      -7.826171     -2.493524      4.085426
  C      -8.155240     -1.896078      5.396061
  O      -8.861537     -0.920917      5.607325
  C      -8.433928     -2.158021      2.834705
  C      -9.566360     -1.227153      2.677550
  O     -10.068144     -0.954563      1.588933
  C      -7.914041     -2.772461      1.701019
  C      -6.844561     -3.683836      1.711330
  C      -6.321066     -3.966268      0.376802
  O      -5.290235     -4.570987      0.079891
  C      -2.076543     -5.483579      6.695416
  C      -0.845693     -5.853340      7.325067
  C      -0.532738     -5.498658      8.623656
  C       0.798609     -5.951061      9.140795
  O       1.734605     -6.213132      8.401685
  C      -1.480279     -4.806290      9.443365
  C      -1.210708     -4.314378     10.792675
  O      -0.119818     -4.293854     11.354602
  C      -2.731954     -4.547008      8.889169
  C      -3.046859     -4.836474      7.554303
  C      -4.412096     -4.724711      7.140849
  O      -4.832656     -4.884675      5.977756
  H      -2.861365     -2.210927      0.014139
  H      -3.901256      0.995368     -1.327940
  H      -4.849737      2.545942      2.069247
  H      -4.655575      0.846824      3.453269
  H      -4.675421     -0.728299      5.103459
  H      -6.391632     -3.712380      5.095976
  H      -7.638596     -2.411460      6.245813
  H      -9.961099     -0.781126      3.611811
  H      -8.350998     -2.493494      0.738012
  H      -6.940843     -3.509823     -0.430672
  H      -0.074064     -6.380900      6.768162
  H       0.876624     -6.069364     10.240023
  H      -2.120104     -3.914548     11.309011
  H      -3.501655     -4.080264      9.511977
  H      -5.162071     -4.558068      7.938955
  N      -1.510675     -3.223100      4.776505
  H      -1.508629     -2.957024      5.760706
  H      -1.487190     -2.355057      4.234139
  H      -0.628190     -3.693293      4.567970
  N      -4.830383     -7.481598      5.214867
  N      -4.943644     -8.169434      6.072936
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.959917643516
  N      -2.981838     -3.343999      2.420946
  C      -2.326133     -4.091015      1.346995
  C      -1.768742     -5.374153      1.898115
  N      -2.798203     -6.044743      2.739205
  C      -3.892069     -6.564955      1.843550
  C      -5.273242     -6.213366      2.378961
  N      -5.238949     -4.965706      3.145207
  Mo     -3.530069     -4.408912      4.118353
  N      -2.332950     -5.694154      5.396345
  C      -1.423183     -6.601001      4.702282
  C      -2.138495     -7.148116      3.489418
  H      -1.152643     -7.449472      5.349966
  H      -0.475794     -6.103039      4.422822
  H      -2.915410     -7.856627      3.797937
  H      -1.442904     -7.688366      2.825169
  H      -5.971579     -6.171920      1.536292
  H      -5.639727     -6.996091      3.060618
  H      -3.772986     -6.106593      0.858359
  H      -3.761638     -7.650875      1.725931
  H      -1.503557     -3.504016      0.906051
  H      -3.051314     -4.294126      0.541840
  H      -0.900677     -5.170045      2.539608
  H      -1.438230     -6.051179      1.091152
  C      -3.351613     -2.069773      2.103255
  C      -3.194111     -1.569337      0.780752
  C      -3.490567     -0.270268      0.401965
  C      -3.343090      0.063809     -1.037825
  O      -2.778269     -0.671782     -1.841595
  C      -4.006079      0.651991      1.372652
  C      -4.284223      2.074773      1.145057
  O      -4.038699      2.723985      0.135246
  C      -4.221019      0.177051      2.655792
  C      -3.931265     -1.145464      3.064190
  C      -4.252750     -1.481705      4.394106
  O      -4.164029     -2.662979      4.891027
  C      -6.282105     -4.074108      2.997081
  C      -6.810387     -3.456620      4.156860
  C      -7.855139     -2.539481      4.143019
  C      -8.181051     -1.971091      5.467344
  O      -8.899014     -1.009993      5.703669
  C      -8.488451     -2.201635      2.905679
  C      -9.651866     -1.304501      2.778262
  O     -10.168043     -1.019893      1.699146
  C      -7.960377     -2.776532      1.754237
  C      -6.876195     -3.670946      1.736852
  C      -6.353086     -3.914281      0.394400
  O      -5.314499     -4.494285      0.074455
  C      -2.092734     -5.469022      6.699369
  C      -0.867663     -5.848037      7.334219
  C      -0.560277     -5.496849      8.634151
  C       0.762715     -5.963023      9.159483
  O       1.701410     -6.231870      8.426131
  C      -1.505885     -4.794493      9.448721
  C      -1.238695     -4.302914     10.798431
  O      -0.149389     -4.289559     11.364047
  C      -2.751711     -4.528303      8.889879
  C      -3.061044     -4.824592      7.557011
  C      -4.416729     -4.701379      7.131426
  O      -4.820940     -4.867031      5.960774
  H      -2.847068     -2.219802     -0.018835
  H      -3.806217      1.015017     -1.362678
  H      -4.769423      2.567935      2.025756
  H      -4.616109      0.863621      3.408780
  H      -4.663242     -0.708013      5.058299
  H      -6.402415     -3.766535      5.117059
  H      -7.655063     -2.499628      6.303388
  H     -10.048076     -0.886153      3.724818
  H      -8.405770     -2.480194      0.800254
  H      -6.993608     -3.461284     -0.399071
  H      -0.098508     -6.383720      6.780625
  H       0.832384     -6.081504     10.259364
  H      -2.146832     -3.894417     11.310100
  H      -3.521808     -4.055487      9.507835
  H      -5.166753     -4.519471      7.926016
  N      -1.497302     -3.209367      4.730474
  H      -1.492651     -2.961438      5.721892
  H      -1.483627     -2.334776      4.199141
  H      -0.613235     -3.688757      4.551066
  N      -4.814513     -7.480184      5.176531
  N      -4.925594     -8.170554      6.032897
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.959974627947
  N      -2.992291     -3.337108      2.441863
  C      -2.345196     -4.083726      1.360192
  C      -1.782906     -5.368266      1.907960
  N      -2.805014     -6.049852      2.752482
  C      -3.899688     -6.584095      1.874816
  C      -5.272310     -6.233716      2.412811
  N      -5.243074     -4.981522      3.163051
  Mo     -3.536189     -4.412586      4.133784
  N      -2.321326     -5.691706      5.397543
  C      -1.425623     -6.616548      4.704996
  C      -2.143661     -7.158307      3.490983
  H      -1.155997     -7.463465      5.355458
  H      -0.473776     -6.129743      4.420580
  H      -2.914040     -7.868223      3.806060
  H      -1.454630     -7.696247      2.817362
  H      -5.975892     -6.190548      1.570035
  H      -5.637243     -7.016502      3.100057
  H      -3.795756     -6.134493      0.883356
  H      -3.769417     -7.669855      1.761905
  H      -1.524814     -3.497759      0.922704
  H      -3.072624     -4.282587      0.554501
  H      -0.909100     -5.163074      2.541278
  H      -1.460782     -6.038542      1.093805
  C      -3.381246     -2.064308      2.121899
  C      -3.230494     -1.555066      0.802961
  C      -3.574569     -0.268673      0.420331
  C      -3.447502      0.064244     -1.021638
  O      -2.841916     -0.644046     -1.820501
  C      -4.087316      0.650455      1.397629
  C      -4.385335      2.070269      1.174903
  O      -4.153815      2.726564      0.165992
  C      -4.264953      0.177698      2.688368
  C      -3.952415     -1.140206      3.093444
  C      -4.276888     -1.488726      4.420234
  O      -4.167846     -2.669599      4.913441
  C      -6.275875     -4.081870      2.985286
  C      -6.815545     -3.436227      4.125122
  C      -7.835386     -2.492537      4.076201
  C      -8.168194     -1.891127      5.384321
  O      -8.882412     -0.920495      5.593465
  C      -8.437503     -2.161523      2.821608
  C      -9.565017     -1.225002      2.656439
  O     -10.056607     -0.948068      1.563486
  C      -7.915038     -2.783575      1.691409
  C      -6.845670     -3.696621      1.708745
  C      -6.296176     -3.966286      0.381355
  O      -5.251417     -4.553287      0.094380
  C      -2.069292     -5.466246      6.699105
  C      -0.842235     -5.856104      7.323489
  C      -0.525595     -5.518564      8.625918
  C       0.792587     -6.005530      9.144563
  O       1.724165     -6.290512      8.407226
  C      -1.462889     -4.816860      9.450163
  C      -1.184070     -4.343516     10.804069
  O      -0.089990     -4.342386     11.361423
  C      -2.715586     -4.547173      8.903844
  C      -3.036053     -4.828976      7.568354
  C      -4.399489     -4.701065      7.154360
  O      -4.813550     -4.868332      5.989875
  H      -2.868575     -2.195734      0.002392
  H      -3.890214      1.029084     -1.335309
  H      -4.856496      2.558885      2.066616
  H      -4.679951      0.852845      3.440922
  H      -4.698700     -0.721852      5.085109
  H      -6.401843     -3.708879      5.094036
  H      -7.664900     -2.414019      6.238474
  H      -9.963736     -0.776475      3.588448
  H      -8.344023     -2.502200      0.725276
  H      -6.917538     -3.524525     -0.434006
  H      -0.079924     -6.393090      6.761076
  H       0.864714     -6.126261     10.244317
  H      -2.085301     -3.932671     11.325882
  H      -3.480582     -4.080111      9.532252
  H      -5.144629     -4.511445      7.952024
  N      -1.517486     -3.200421      4.760402
  H      -1.519408     -2.944386      5.750644
  H      -1.501880     -2.330065      4.218989
  H      -0.630163     -3.679473      4.583058
  N      -4.814869     -7.471376      5.232823
  N      -4.924650     -8.153403      6.095825
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960152724373
  N      -2.984232     -3.336128      2.438044
  C      -2.333972     -4.079982      1.356890
  C      -1.773013     -5.364245      1.904335
  N      -2.801722     -6.041460      2.744167
  C      -3.895976     -6.567102      1.858134
  C      -5.273128     -6.216934      2.395591
  N      -5.241001     -4.968496      3.156515
  Mo     -3.532702     -4.410107      4.130694
  N      -2.317953     -5.692542      5.396704
  C      -1.418949     -6.607650      4.699816
  C      -2.139739     -7.148995      3.491228
  H      -1.146881     -7.457420      5.345466
  H      -0.474687     -6.108344      4.412727
  H      -2.923547     -7.857347      3.801208
  H      -1.445870     -7.691834      2.826895
  H      -5.966779     -6.172433      1.560216
  H      -5.635385     -6.993406      3.076191
  H      -3.786615     -6.112626      0.869668
  H      -3.764403     -7.654371      1.736423
  H      -1.504584     -3.485681      0.912510
  H      -3.060173     -4.278576      0.553138
  H      -0.903101     -5.158530      2.543855
  H      -1.444066     -6.038047      1.093566
  C      -3.368612     -2.072366      2.121859
  C      -3.217910     -1.573140      0.795002
  C      -3.542953     -0.282364      0.409420
  C      -3.398436      0.050359     -1.031939
  O      -2.815274     -0.676120     -1.832134
  C      -4.058209      0.637114      1.381102
  C      -4.358750      2.055017      1.151586
  O      -4.121726      2.708414      0.141886
  C      -4.251632      0.167542      2.667636
  C      -3.947431     -1.151325      3.080028
  C      -4.275000     -1.490144      4.406786
  O      -4.171625     -2.668890      4.906699
  C      -6.277201     -4.070849      2.993088
  C      -6.813471     -3.436658      4.140328
  C      -7.842071     -2.501603      4.105213
  C      -8.171093     -1.914177      5.420681
  O      -8.880950     -0.942979      5.642019
  C      -8.456700     -2.167222      2.857506
  C      -9.600983     -1.248593      2.707360
  O     -10.113946     -0.983057      1.621223
  C      -7.933160     -2.772004      1.719363
  C      -6.855295     -3.674070      1.723188
  C      -6.322765     -3.945648      0.389132
  O      -5.285238     -4.538490      0.088651
  C      -2.072529     -5.470619      6.699628
  C      -0.845798     -5.853968      7.329622
  C      -0.537767     -5.513320      8.631724
  C       0.781567     -5.990095      9.156514
  O       1.723345     -6.252588      8.424510
  C      -1.481768     -4.815347      9.451698
  C      -1.209348     -4.336266     10.804695
  O      -0.118141     -4.337208     11.367758
  C      -2.730059     -4.548956      8.899500
  C      -3.042107     -4.832968      7.564288
  C      -4.402327     -4.708361      7.145378
  O      -4.816417     -4.871175      5.979151
  H      -2.864111     -2.222263     -0.002878
  H      -3.853431      1.006727     -1.354855
  H      -4.834689      2.545963      2.039305
  H      -4.668734      0.847196      3.415639
  H      -4.698522     -0.720079      5.066705
  H      -6.403516     -3.725298      5.106016
  H      -7.648475     -2.433252      6.265507
  H      -9.997130     -0.809626      3.644980
  H      -8.370971     -2.487448      0.758042
  H      -6.932426     -3.469835     -0.416041
  H      -0.077963     -6.386081      6.770190
  H       0.844244     -6.125132     10.255333
  H      -2.115560     -3.936165     11.326357
  H      -3.499298     -4.082437      9.523394
  H      -5.150822     -4.523690      7.941017
  N      -1.513427     -3.201479      4.752035
  H      -1.513124     -2.944604      5.742654
  H      -1.499035     -2.330836      4.212912
  H      -0.626123     -3.676524      4.566617
  N      -4.814397     -7.475799      5.215890
  N      -4.924867     -8.162274      6.075154
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960032782225
  N      -2.980193     -3.342770      2.438487
  C      -2.324730     -4.086948      1.360547
  C      -1.771075     -5.374719      1.911080
  N      -2.803179     -6.050006      2.746499
  C      -3.897169     -6.577688      1.857081
  C      -5.277760     -6.225478      2.393194
  N      -5.245069     -4.973416      3.155546
  Mo     -3.536141     -4.416474      4.128439
  N      -2.320947     -5.697054      5.393966
  C      -1.424406     -6.617666      4.699575
  C      -2.146083     -7.156676      3.488104
  H      -1.156823     -7.465743      5.348328
  H      -0.473649     -6.129531      4.410812
  H      -2.918041     -7.860811      3.797483
  H      -1.455909     -7.696674      2.817627
  H      -5.985011     -6.182909      1.544734
  H      -5.642786     -7.013185      3.084486
  H      -3.784349     -6.124802      0.867737
  H      -3.767361     -7.661661      1.743253
  H      -1.507075     -3.508612      0.933462
  H      -3.047484     -4.282580      0.548972
  H      -0.903130     -5.174472      2.553439
  H      -1.443442     -6.046854      1.097956
  C      -3.370085     -2.066843      2.116968
  C      -3.206513     -1.560749      0.801792
  C      -3.536481     -0.271855      0.416380
  C      -3.356365      0.071727     -1.016950
  O      -2.796313     -0.671561     -1.817348
  C      -4.074969      0.644757      1.384535
  C      -4.403259      2.055352      1.148995
  O      -4.173912      2.710824      0.139035
  C      -4.275134      0.170103      2.673183
  C      -3.958500     -1.146940      3.083088
  C      -4.289360     -1.495245      4.408831
  O      -4.178986     -2.675463      4.904051
  C      -6.278684     -4.075036      2.988404
  C      -6.810562     -3.441198      4.137546
  C      -7.832316     -2.498995      4.103188
  C      -8.158100     -1.912292      5.419860
  O      -8.867905     -0.941678      5.643730
  C      -8.445187     -2.160023      2.855086
  C      -9.584060     -1.234967      2.703933
  O     -10.075557     -0.944822      1.614225
  C      -7.924766     -2.766310      1.715692
  C      -6.854794     -3.677512      1.718621
  C      -6.318941     -3.937711      0.383798
  O      -5.282304     -4.531456      0.083291
  C      -2.072809     -5.471343      6.697638
  C      -0.844758     -5.852070      7.325790
  C      -0.532484     -5.508893      8.627968
  C       0.788443     -5.984539      9.149754
  O       1.727966     -6.250415      8.415434
  C      -1.475079     -4.810940      9.449260
  C      -1.198316     -4.328834     10.800162
  O      -0.102681     -4.318781     11.354815
  C      -2.727516     -4.546412      8.898314
  C      -3.041709     -4.832920      7.561807
  C      -4.403851     -4.713104      7.145974
  O      -4.819055     -4.878563      5.981994
  H      -2.828068     -2.200416      0.007383
  H      -3.821235      1.020183     -1.347675
  H      -4.900473      2.537036      2.030179
  H      -4.707978      0.842036      3.418189
  H      -4.721262     -0.730825      5.070273
  H      -6.398019     -3.728737      5.103091
  H      -7.632793     -2.431570      6.262697
  H      -9.966827     -0.779535      3.638975
  H      -8.358265     -2.475269      0.754402
  H      -6.940765     -3.478510     -0.421549
  H      -0.077854     -6.383691      6.765229
  H       0.855488     -6.113923     10.248964
  H      -2.101121     -3.921015     11.321829
  H      -3.496275     -4.080190      9.523082
  H      -5.150857     -4.528783      7.943082
  N      -1.524534     -3.204260      4.757447
  H      -1.528182     -2.945634      5.746108
  H      -1.508845     -2.335277      4.216134
  H      -0.636487     -3.677819      4.575003
  N      -4.820179     -7.478118      5.227148
  N      -4.931389     -8.161564      6.088456
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960472667859
  N      -2.980697     -3.340751      2.438948
  C      -2.325796     -4.086278      1.362239
  C      -1.773949     -5.372794      1.912245
  N      -2.807161     -6.047091      2.748680
  C      -3.898583     -6.572505      1.862095
  C      -5.273629     -6.218623      2.396509
  N      -5.244056     -4.970046      3.155634
  Mo     -3.535486     -4.412397      4.131183
  N      -2.320114     -5.693962      5.395494
  C      -1.425265     -6.615852      4.700365
  C      -2.148033     -7.156260      3.490075
  H      -1.154640     -7.463663      5.348826
  H      -0.475435     -6.126681      4.412325
  H      -2.923756     -7.863124      3.804551
  H      -1.460299     -7.698485      2.818853
  H      -5.976458     -6.175095      1.556404
  H      -5.637077     -7.000379      3.083376
  H      -3.786191     -6.119886      0.872864
  H      -3.770494     -7.658508      1.744861
  H      -1.497619     -3.502431      0.929946
  H      -3.047380     -4.280865      0.551144
  H      -0.905225     -5.172324      2.553889
  H      -1.447383     -6.045913      1.100922
  C      -3.367413     -2.070405      2.117023
  C      -3.200941     -1.561136      0.799287
  C      -3.536820     -0.273521      0.414171
  C      -3.375396      0.065112     -1.022968
  O      -2.788853     -0.661347     -1.820197
  C      -4.071833      0.641677      1.381926
  C      -4.387982      2.056175      1.150789
  O      -4.161966      2.710247      0.139101
  C      -4.271920      0.166356      2.667557
  C      -3.959265     -1.150220      3.078322
  C      -4.291136     -1.492767      4.404408
  O      -4.179145     -2.671163      4.904204
  C      -6.279555     -4.073277      2.988647
  C      -6.815359     -3.439365      4.136480
  C      -7.839355     -2.499408      4.099861
  C      -8.167414     -1.910630      5.414940
  O      -8.888703     -0.948155      5.637284
  C      -8.449516     -2.161130      2.850660
  C      -9.581115     -1.227676      2.696692
  O     -10.096290     -0.967412      1.610383
  C      -7.926309     -2.767303      1.712371
  C      -6.854398     -3.676199      1.717485
  C      -6.312983     -3.935859      0.384779
  O      -5.274512     -4.528199      0.086971
  C      -2.070520     -5.470210      6.698081
  C      -0.842032     -5.853984      7.324127
  C      -0.529270     -5.514120      8.626059
  C       0.790102     -5.994905      9.147394
  O       1.730567     -6.257330      8.413451
  C      -1.470326     -4.815497      9.448893
  C      -1.190268     -4.337517     10.800480
  O      -0.092126     -4.324538     11.350116
  C      -2.721254     -4.546797      8.899850
  C      -3.037483     -4.830449      7.564173
  C      -4.400415     -4.707973      7.149755
  O      -4.816200     -4.874360      5.985751
  H      -2.827115     -2.200506      0.002846
  H      -3.822994      1.024291     -1.346619
  H      -4.885606      2.538242      2.031512
  H      -4.696663      0.841210      3.414842
  H      -4.724734     -0.726056      5.061942
  H      -6.407035     -3.729183      5.102940
  H      -7.664225     -2.444640      6.262108
  H      -9.979453     -0.789474      3.633654
  H      -8.360514     -2.479340      0.750513
  H      -6.941449     -3.491268     -0.423659
  H      -0.077260     -6.387194      6.761837
  H       0.851214     -6.140864     10.244834
  H      -2.090054     -3.924755     11.323161
  H      -3.488325     -4.079915      9.526048
  H      -5.146139     -4.523930      7.948284
  N      -1.527315     -3.198177      4.760488
  H      -1.531758     -2.939267      5.749470
  H      -1.512729     -2.329277      4.218663
  H      -0.638636     -3.671149      4.578902
  N      -4.818441     -7.473160      5.237451
  N      -4.931274     -8.155705      6.099151
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960316189225
  N      -2.980405     -3.336914      2.441640
  C      -2.327512     -4.081749      1.362902
  C      -1.772507     -5.367319      1.911055
  N      -2.805288     -6.043070      2.748184
  C      -3.897640     -6.567041      1.862828
  C      -5.273694     -6.216229      2.398224
  N      -5.243062     -4.967792      3.157466
  Mo     -3.533903     -4.411309      4.133069
  N      -2.313864     -5.691067      5.397325
  C      -1.422428     -6.614449      4.700636
  C      -2.148784     -7.153560      3.492808
  H      -1.151640     -7.463523      5.347619
  H      -0.476153     -6.120132      4.410532
  H      -2.933130     -7.856251      3.804882
  H      -1.459367     -7.698762      2.825646
  H      -5.972092     -6.170037      1.560993
  H      -5.635745     -6.994405      3.083305
  H      -3.786052     -6.113823      0.873761
  H      -3.767794     -7.653509      1.741149
  H      -1.497902     -3.493732      0.923348
  H      -3.051616     -4.277738      0.555318
  H      -0.903020     -5.166597      2.551864
  H      -1.446266     -6.039211      1.098377
  C      -3.372918     -2.071888      2.120264
  C      -3.214466     -1.569111      0.797366
  C      -3.555022     -0.283526      0.407387
  C      -3.391073      0.052630     -1.030704
  O      -2.789865     -0.669155     -1.821726
  C      -4.087173      0.633146      1.375263
  C      -4.406633      2.046744      1.143500
  O      -4.178629      2.703116      0.133582
  C      -4.281240      0.162697      2.662853
  C      -3.965297     -1.152738      3.077362
  C      -4.300002     -1.495144      4.402089
  O      -4.184109     -2.672177      4.904411
  C      -6.277834     -4.070331      2.990581
  C      -6.817043     -3.433873      4.135595
  C      -7.839964     -2.493054      4.095261
  C      -8.172375     -1.904204      5.409311
  O      -8.876426     -0.927922      5.627305
  C      -8.448633     -2.157956      2.844931
  C      -9.593905     -1.241258      2.690306
  O     -10.082345     -0.952030      1.598803
  C      -7.924330     -2.767476      1.709153
  C      -6.850259     -3.673840      1.718393
  C      -6.304482     -3.939313      0.388221
  O      -5.263604     -4.530294      0.096034
  C      -2.064590     -5.470178      6.700787
  C      -0.836702     -5.856687      7.326691
  C      -0.526164     -5.522046      8.630041
  C       0.789884     -6.008814      9.154024
  O       1.736453     -6.259785      8.423956
  C      -1.466373     -4.821789      9.452465
  C      -1.184815     -4.348258     10.805206
  O      -0.091055     -4.365104     11.363703
  C      -2.715019     -4.547932      8.903099
  C      -3.031366     -4.829906      7.567508
  C      -4.394459     -4.706391      7.154088
  O      -4.810962     -4.873044      5.990282
  H      -2.843383     -2.212233      0.002613
  H      -3.821482      1.020454     -1.352715
  H      -4.895107      2.530222      2.028684
  H      -4.714578      0.836539      3.406886
  H      -4.738397     -0.729236      5.057032
  H      -6.407739     -3.719249      5.102698
  H      -7.640091     -2.413462      6.254164
  H      -9.973103     -0.777111      3.622948
  H      -8.353631     -2.477878      0.745502
  H      -6.911456     -3.468451     -0.422019
  H      -0.072564     -6.390640      6.763718
  H       0.848759     -6.152271     10.252032
  H      -2.087986     -3.959048     11.339769
  H      -3.481569     -4.080561      9.529565
  H      -5.139728     -4.520479      7.952707
  N      -1.529416     -3.193593      4.759251
  H      -1.533688     -2.934672      5.749257
  H      -1.516978     -2.324712      4.216767
  H      -0.639617     -3.666449      4.579701
  N      -4.813604     -7.473337      5.243771
  N      -4.924617     -8.156040      6.105445
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960685067490
  N      -2.976880     -3.337723      2.440220
  C      -2.320301     -4.082540      1.363634
  C      -1.767926     -5.369635      1.914258
  N      -2.803079     -6.044131      2.748514
  C      -3.894788     -6.567936      1.858757
  C      -5.273817     -6.216641      2.393515
  N      -5.243324     -4.966442      3.155782
  Mo     -3.533602     -4.411416      4.130979
  N      -2.315593     -5.691135      5.396535
  C      -1.423284     -6.615754      4.701358
  C      -2.148519     -7.154868      3.492301
  H      -1.154769     -7.464050      5.350041
  H      -0.474271     -6.125727      4.411973
  H      -2.929155     -7.857102      3.804499
  H      -1.459728     -7.698740      2.823441
  H      -5.975668     -6.172059      1.553136
  H      -5.636231     -6.997962      3.080838
  H      -3.779732     -6.114358      0.870065
  H      -3.765608     -7.653767      1.740205
  H      -1.493122     -3.498971      0.929306
  H      -3.042270     -4.278186      0.553216
  H      -0.899701     -5.171397      2.557256
  H      -1.441241     -6.041030      1.100617
  C      -3.369609     -2.070194      2.116604
  C      -3.206323     -1.566396      0.796702
  C      -3.545033     -0.281089      0.405390
  C      -3.364266      0.059178     -1.029344
  O      -2.782625     -0.674885     -1.823682
  C      -4.086893      0.634426      1.370069
  C      -4.417275      2.044941      1.135124
  O      -4.187817      2.703091      0.126695
  C      -4.286947      0.162575      2.657285
  C      -3.967089     -1.151639      3.073599
  C      -4.304406     -1.495462      4.397705
  O      -4.187336     -2.672689      4.899363
  C      -6.278797     -4.069080      2.991198
  C      -6.814975     -3.435388      4.138979
  C      -7.837498     -2.493482      4.102394
  C      -8.166448     -1.906718      5.418171
  O      -8.875542     -0.934995      5.640445
  C      -8.447687     -2.154735      2.853522
  C      -9.585267     -1.228120      2.701021
  O     -10.093055     -0.958060      1.613389
  C      -7.925344     -2.761758      1.715283
  C      -6.852641     -3.669663      1.720459
  C      -6.311427     -3.933650      0.388177
  O      -5.274262     -4.528566      0.090934
  C      -2.066011     -5.469890      6.700212
  C      -0.838613     -5.856667      7.326482
  C      -0.527819     -5.522063      8.630115
  C       0.787779     -6.009918      9.153835
  O       1.730893     -6.270375      8.422419
  C      -1.468444     -4.822603      9.452974
  C      -1.186945     -4.347454     10.805165
  O      -0.088531     -4.342395     11.354864
  C      -2.717916     -4.550345      8.903601
  C      -3.033068     -4.832231      7.567348
  C      -4.394893     -4.706742      7.152513
  O      -4.811400     -4.873609      5.988587
  H      -2.825519     -2.206892      0.004214
  H      -3.798562      1.024044     -1.354976
  H      -4.911365      2.525924      2.018457
  H      -4.727981      0.834239      3.398800
  H      -4.745708     -0.730367      5.051611
  H      -6.406672     -3.725571      5.105143
  H      -7.645242     -2.427838      6.262618
  H      -9.977435     -0.782690      3.637349
  H      -8.358682     -2.472573      0.753321
  H      -6.918540     -3.457037     -0.418548
  H      -0.074262     -6.390326      6.763655
  H       0.843175     -6.164270     10.250517
  H      -2.085874     -3.937773     11.331514
  H      -3.484826     -4.082945      9.529674
  H      -5.140037     -4.516959      7.950255
  N      -1.532162     -3.193078      4.759606
  H      -1.537938     -2.934543      5.749664
  H      -1.519282     -2.324382      4.217490
  H      -0.641866     -3.665314      4.582406
  N      -4.813303     -7.474227      5.242707
  N      -4.924414     -8.156513      6.104580
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960640844124
  N      -2.976144     -3.341515      2.439125
  C      -2.314264     -4.086176      1.366680
  C      -1.769801     -5.375078      1.918312
  N      -2.810064     -6.046192      2.749089
  C      -3.898077     -6.568169      1.857620
  C      -5.273411     -6.214325      2.391408
  N      -5.246987     -4.966221      3.153786
  Mo     -3.537126     -4.411406      4.130901
  N      -2.319016     -5.692603      5.393922
  C      -1.426460     -6.616706      4.698104
  C      -2.152472     -7.156981      3.490251
  H      -1.156893     -7.464025      5.347610
  H      -0.475855     -6.130465      4.407750
  H      -2.929133     -7.861374      3.807198
  H      -1.467582     -7.701239      2.817829
  H      -5.978089     -6.171728      1.553039
  H      -5.634758     -6.996760      3.079026
  H      -3.781750     -6.115089      0.868978
  H      -3.770444     -7.653974      1.738018
  H      -1.481156     -3.504783      0.941936
  H      -3.029887     -4.276823      0.549440
  H      -0.902928     -5.179675      2.563831
  H      -1.443053     -6.048809      1.106638
  C      -3.363487     -2.073111      2.112657
  C      -3.181261     -1.562563      0.797927
  C      -3.518128     -0.277088      0.406920
  C      -3.326761      0.065628     -1.025474
  O      -2.746389     -0.670041     -1.819234
  C      -4.078594      0.633500      1.364558
  C      -4.415981      2.042147      1.126983
  O      -4.195435      2.697852      0.115061
  C      -4.295149      0.156495      2.646772
  C      -3.975857     -1.156719      3.064666
  C      -4.315083     -1.496838      4.389347
  O      -4.194169     -2.672380      4.894776
  C      -6.284635     -4.071013      2.991717
  C      -6.819138     -3.441694      4.142717
  C      -7.842278     -2.499975      4.110233
  C      -8.170463     -1.917863      5.428142
  O      -8.894017     -0.958158      5.655545
  C      -8.451656     -2.155028      2.862584
  C      -9.586634     -1.224856      2.713365
  O     -10.090917     -0.946546      1.626312
  C      -7.927872     -2.755337      1.721356
  C      -6.859285     -3.667722      1.721963
  C      -6.311807     -3.916790      0.389538
  O      -5.276083     -4.512103      0.088221
  C      -2.067497     -5.470352      6.696660
  C      -0.837747     -5.853605      7.320720
  C      -0.525438     -5.517642      8.623305
  C       0.791378     -6.003903      9.145393
  O       1.739710     -6.245891      8.414705
  C      -1.465634     -4.819330      9.447541
  C      -1.180852     -4.343072     10.798483
  O      -0.082596     -4.347600     11.348435
  C      -2.715565     -4.547477      8.899860
  C      -3.031257     -4.827197      7.563373
  C      -4.394511     -4.705654      7.151944
  O      -4.814558     -4.874827      5.989454
  H      -2.788020     -2.198047      0.007503
  H      -3.766789      1.026585     -1.354347
  H      -4.931030      2.516790      2.001612
  H      -4.734956      0.828949      3.387880
  H      -4.761743     -0.731213      5.039138
  H      -6.413987     -3.738856      5.108225
  H      -7.667227     -2.456170      6.272530
  H      -9.974490     -0.778108      3.650696
  H      -8.357891     -2.457898      0.760491
  H      -6.935522     -3.461170     -0.416550
  H      -0.073573     -6.386025      6.756837
  H       0.849776     -6.154189     10.242523
  H      -2.080214     -3.943286     11.331571
  H      -3.481734     -4.079946      9.526725
  H      -5.137685     -4.522175      7.952989
  N      -1.543544     -3.189948      4.766780
  H      -1.552406     -2.928616      5.755552
  H      -1.529921     -2.322678      4.223133
  H      -0.652074     -3.658305      4.587700
  N      -4.817485     -7.472759      5.253740
  N      -4.931123     -8.153385      6.116358
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960803678049
  N      -2.973103     -3.338768      2.440336
  C      -2.312295     -4.083152      1.366657
  C      -1.765445     -5.370703      1.917281
  N      -2.806113     -6.041986      2.747447
  C      -3.895344     -6.561705      1.855755
  C      -5.272737     -6.209915      2.389691
  N      -5.244026     -4.962097      3.153561
  Mo     -3.533652     -4.410200      4.131541
  N      -2.312994     -5.690157      5.395469
  C      -1.423320     -6.614683      4.697912
  C      -2.153218     -7.153160      3.491878
  H      -1.155586     -7.463654      5.345854
  H      -0.475526     -6.124060      4.405716
  H      -2.936659     -7.851777      3.803838
  H      -1.466272     -7.700030      2.823647
  H      -5.975380     -6.164900      1.549374
  H      -5.635154     -6.991938      3.077540
  H      -3.778615     -6.107228      0.867770
  H      -3.767805     -7.647248      1.733990
  H      -1.482425     -3.501372      0.937625
  H      -3.030520     -4.276121      0.552114
  H      -0.899108     -5.175403      2.563396
  H      -1.437757     -6.043378      1.105040
  C      -3.366010     -2.071594      2.113768
  C      -3.190961     -1.566572      0.796424
  C      -3.531945     -0.282658      0.402939
  C      -3.343335      0.055907     -1.030917
  O      -2.753913     -0.678608     -1.819154
  C      -4.088204      0.631068      1.361508
  C      -4.425244      2.039736      1.123495
  O      -4.205181      2.695846      0.111704
  C      -4.297998      0.158033      2.646946
  C      -3.976647     -1.155093      3.065613
  C      -4.317981     -1.496974      4.389276
  O      -4.194939     -2.672162      4.895331
  C      -6.280587     -4.067032      2.991689
  C      -6.816667     -3.437248      4.141256
  C      -7.839614     -2.495948      4.107260
  C      -8.169018     -1.913437      5.424844
  O      -8.882238     -0.945542      5.650282
  C      -8.449668     -2.153258      2.859309
  C      -9.587887     -1.227220      2.709135
  O     -10.095385     -0.954708      1.622076
  C      -7.926311     -2.755354      1.719207
  C      -6.854524     -3.663599      1.722029
  C      -6.311376     -3.920892      0.389256
  O      -5.275595     -4.517590      0.091339
  C      -2.062989     -5.470286      6.699882
  C      -0.835177     -5.857601      7.325483
  C      -0.524531     -5.524916      8.629738
  C       0.789242     -6.016666      9.154588
  O       1.735523     -6.270894      8.425173
  C      -1.464368     -4.824808      9.452827
  C      -1.179013     -4.351207     10.804516
  O      -0.079004     -4.350798     11.351200
  C      -2.713129     -4.548544      8.903285
  C      -3.029067     -4.828765      7.566343
  C      -4.392113     -4.703174      7.153807
  O      -4.811310     -4.871744      5.991788
  H      -2.801676     -2.204786      0.006261
  H      -3.770525      1.022790     -1.359394
  H      -4.929393      2.517324      2.003048
  H      -4.740944      0.829992      3.386685
  H      -4.768779     -0.733221      5.038389
  H      -6.411264     -3.732689      5.107251
  H      -7.653389     -2.441324      6.268453
  H      -9.979136     -0.782871      3.646269
  H      -8.358374     -2.462060      0.757921
  H      -6.932186     -3.464280     -0.418667
  H      -0.071799     -6.391945      6.762190
  H       0.838897     -6.183333     10.249789
  H      -2.075693     -3.942269     11.335061
  H      -3.478997     -4.079697      9.529518
  H      -5.136224     -4.513654      7.952659
  N      -1.541516     -3.188187      4.766502
  H      -1.550006     -2.926764      5.755310
  H      -1.528932     -2.320509      4.222847
  H      -0.649787     -3.657086      4.588145
  N      -4.814918     -7.471874      5.255471
  N      -4.927771     -8.152937      6.117715
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960823148888
  N      -2.972671     -3.337262      2.438563
  C      -2.307469     -4.082198      1.367990
  C      -1.763889     -5.371079      1.920907
  N      -2.805857     -6.041845      2.750498
  C      -3.892759     -6.561216      1.856507
  C      -5.270320     -6.210128      2.389663
  N      -5.244719     -4.961625      3.153427
  Mo     -3.533700     -4.407479      4.130385
  N      -2.315477     -5.686943      5.396004
  C      -1.426657     -6.617273      4.701325
  C      -2.154396     -7.155872      3.493114
  H      -1.160693     -7.464608      5.352529
  H      -0.475108     -6.133780      4.410186
  H      -2.934788     -7.857427      3.808867
  H      -1.469232     -7.700345      2.820993
  H      -5.974141     -6.166424      1.551863
  H      -5.631923     -6.991535      3.076445
  H      -3.773042     -6.106678      0.868781
  H      -3.766650     -7.647660      1.737491
  H      -1.472961     -3.500804      0.941406
  H      -3.022266     -4.274214      0.550222
  H      -0.896683     -5.179272      2.566900
  H      -1.439021     -6.041984      1.106740
  C      -3.364615     -2.070869      2.108671
  C      -3.184424     -1.564290      0.792079
  C      -3.528044     -0.281988      0.394739
  C      -3.325254      0.059355     -1.036691
  O      -2.739601     -0.679108     -1.824426
  C      -4.094644      0.629179      1.349565
  C      -4.437811      2.036339      1.110833
  O      -4.213260      2.696267      0.102383
  C      -4.309094      0.156071      2.633955
  C      -3.982945     -1.154480      3.056246
  C      -4.328659     -1.496201      4.378669
  O      -4.201834     -2.670137      4.887086
  C      -6.284583     -4.068021      2.994810
  C      -6.821568     -3.438514      4.145259
  C      -7.846141     -2.498232      4.111887
  C      -8.177229     -1.917891      5.429917
  O      -8.885160     -0.945919      5.655371
  C      -8.455568     -2.154303      2.864147
  C      -9.593704     -1.227797      2.714837
  O     -10.101740     -0.954739      1.628061
  C      -7.931334     -2.756008      1.723149
  C      -6.858046     -3.663298      1.725751
  C      -6.309672     -3.917287      0.394296
  O      -5.271539     -4.511229      0.098292
  C      -2.062366     -5.467419      6.699721
  C      -0.835792     -5.860391      7.323669
  C      -0.524170     -5.533208      8.628776
  C       0.786187     -6.034000      9.152844
  O       1.735920     -6.279462      8.424723
  C      -1.460870     -4.829770      9.453166
  C      -1.172098     -4.360041     10.805507
  O      -0.070650     -4.364418     11.349591
  C      -2.707675     -4.546313      8.904697
  C      -3.024989     -4.824301      7.567944
  C      -4.387567     -4.696129      7.156713
  O      -4.806944     -4.867665      5.994494
  H      -2.785447     -2.200035      0.004801
  H      -3.744579      1.029863     -1.365391
  H      -4.942975      2.511841      1.990924
  H      -4.763177      0.825393      3.369941
  H      -4.784034     -0.732273      5.024055
  H      -6.417409     -3.735737      5.110974
  H      -7.655455     -2.441564      6.272457
  H      -9.987723     -0.787818      3.653016
  H      -8.362506     -2.461370      0.761829
  H      -6.903343     -3.420647     -0.410557
  H      -0.074935     -6.397724      6.759451
  H       0.836738     -6.197706     10.248453
  H      -2.065664     -3.946605     11.337622
  H      -3.471515     -4.075312      9.531806
  H      -5.129331     -4.502786      7.956849
  N      -1.548232     -3.181746      4.767109
  H      -1.558949     -2.922663      5.757295
  H      -1.536837     -2.313692      4.224035
  H      -0.655030     -3.651150      4.596830
  N      -4.809104     -7.470927      5.261004
  N      -4.921221     -8.150794      6.124059
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960923266336
  N      -2.969863     -3.336320      2.439616
  C      -2.301935     -4.080450      1.370225
  C      -1.759975     -5.369557      1.923433
  N      -2.805018     -6.039159      2.750016
  C      -3.890894     -6.555984      1.853575
  C      -5.269477     -6.206894      2.386994
  N      -5.244674     -4.958576      3.152929
  Mo     -3.533019     -4.406269      4.130754
  N      -2.313584     -5.685647      5.396208
  C      -1.426370     -6.616365      4.700593
  C      -2.156160     -7.154000      3.493646
  H      -1.162032     -7.464443      5.351353
  H      -0.475624     -6.131896      4.408585
  H      -2.939660     -7.852714      3.807290
  H      -1.470691     -7.699630      2.822810
  H      -5.973287     -6.163068      1.548807
  H      -5.631098     -6.988904      3.073797
  H      -3.770075     -6.100189      0.866590
  H      -3.764301     -7.642023      1.731729
  H      -1.467176     -3.499409      0.945565
  H      -3.014908     -4.271979      0.550773
  H      -0.893799     -5.179873      2.571318
  H      -1.434391     -6.040366      1.108740
  C      -3.363782     -2.071148      2.107532
  C      -3.180078     -1.566658      0.791156
  C      -3.525053     -0.285923      0.390245
  C      -3.312309      0.055086     -1.039799
  O      -2.724278     -0.685288     -1.824163
  C      -4.099691      0.624904      1.340982
  C      -4.448202      2.030172      1.099051
  O      -4.225749      2.689558      0.089786
  C      -4.318543      0.153041      2.625333
  C      -3.989773     -1.156432      3.050803
  C      -4.339256     -1.497768      4.372223
  O      -4.208584     -2.670347      4.883165
  C      -6.285202     -4.066152      2.996497
  C      -6.821943     -3.439379      4.147800
  C      -7.846072     -2.498457      4.115899
  C      -8.177085     -1.920433      5.434938
  O      -8.892236     -0.954303      5.662730
  C      -8.454409     -2.150869      2.868725
  C      -9.592439     -1.223963      2.721139
  O     -10.096608     -0.944258      1.634224
  C      -7.930697     -2.750485      1.727041
  C      -6.858700     -3.658620      1.727781
  C      -6.309370     -3.910130      0.396106
  O      -5.273553     -4.507145      0.098407
  C      -2.060369     -5.467841      6.700502
  C      -0.833932     -5.861726      7.324170
  C      -0.522003     -5.535173      8.629345
  C       0.787650     -6.037417      9.153455
  O       1.734939     -6.289845      8.424536
  C      -1.458130     -4.831192      9.453987
  C      -1.167145     -4.361232     10.805688
  O      -0.065711     -4.372557     11.349851
  C      -2.704555     -4.546280      8.905811
  C      -3.022267     -4.823890      7.568952
  C      -4.384416     -4.692594      7.158260
  O      -4.805791     -4.865023      5.996962
  H      -2.775237     -2.202055      0.006531
  H      -3.724506      1.028105     -1.370111
  H      -4.954369      2.505408      1.978720
  H      -4.778837      0.821585      3.358209
  H      -4.801241     -0.735088      5.014343
  H      -6.418607     -3.738731      5.113244
  H      -7.667074     -2.454702      6.278020
  H      -9.983884     -0.782622      3.659768
  H      -8.361107     -2.453140      0.766221
  H      -6.909482     -3.422107     -0.409267
  H      -0.073341     -6.399145      6.759708
  H       0.832025     -6.218326     10.246657
  H      -2.060356     -3.952205     11.341708
  H      -3.467579     -4.073702      9.532765
  H      -5.125461     -4.495295      7.958115
  N      -1.553885     -3.177951      4.771364
  H      -1.566200     -2.917662      5.761257
  H      -1.542813     -2.310367      4.227704
  H      -0.659648     -3.645427      4.601429
  N      -4.807810     -7.470495      5.267056
  N      -4.919873     -8.149915      6.130192
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960906134449
  N      -2.963787     -3.336016      2.442288
  C      -2.289495     -4.078414      1.376036
  C      -1.753618     -5.368347      1.929036
  N      -2.806856     -6.034532      2.747862
  C      -3.889500     -6.545093      1.847123
  C      -5.267554     -6.199133      2.381068
  N      -5.245758     -4.952596      3.150450
  Mo     -3.533031     -4.404545      4.131711
  N      -2.311136     -5.685596      5.394702
  C      -1.427500     -6.615728      4.695939
  C      -2.162280     -7.151056      3.492103
  H      -1.166259     -7.465788      5.344941
  H      -0.478450     -6.128968      4.402415
  H      -2.951779     -7.843575      3.801813
  H      -1.477586     -7.699630      2.823028
  H      -5.972245     -6.155111      1.541999
  H      -5.629623     -6.983084      3.068104
  H      -3.767875     -6.086769      0.861597
  H      -3.762678     -7.629992      1.717724
  H      -1.452799     -3.498735      0.959478
  H      -2.996684     -4.266598      0.550748
  H      -0.890201     -5.183529      2.581626
  H      -1.426210     -6.040142      1.114557
  C      -3.360456     -2.072656      2.104801
  C      -3.163435     -1.569144      0.791311
  C      -3.511930     -0.291512      0.384942
  C      -3.280617      0.049039     -1.041987
  O      -2.683711     -0.692857     -1.818394
  C      -4.106871      0.617197      1.325715
  C      -4.466434      2.018620      1.077067
  O      -4.255998      2.674117      0.062811
  C      -4.339051      0.145336      2.608191
  C      -4.006249     -1.162178      3.038873
  C      -4.362901     -1.501997      4.358704
  O      -4.223264     -2.671445      4.875591
  C      -6.287530     -4.062940      2.998292
  C      -6.823440     -3.443119      4.152035
  C      -7.848508     -2.502845      4.124225
  C      -8.182309     -1.933917      5.446436
  O      -8.891398     -0.964391      5.678245
  C      -8.453991     -2.146080      2.878261
  C      -9.589679     -1.215806      2.734037
  O     -10.092850     -0.930988      1.648043
  C      -7.928955     -2.737674      1.734371
  C      -6.860423     -3.648244      1.730295
  C      -6.307792     -3.890470      0.398106
  O      -5.277240     -4.494061      0.096362
  C      -2.057486     -5.471613      6.700061
  C      -0.831694     -5.868995      7.323089
  C      -0.519862     -5.546707      8.629229
  C       0.786577     -6.055984      9.154102
  O       1.743964     -6.282698      8.430121
  C      -1.453403     -4.839849      9.454198
  C      -1.157193     -4.372404     10.805364
  O      -0.051947     -4.381719     11.341889
  C      -2.697352     -4.546678      8.905614
  C      -3.016261     -4.821433      7.568172
  C      -4.378688     -4.685681      7.160541
  O      -4.805799     -4.860326      6.002050
  H      -2.744064     -2.201379      0.011706
  H      -3.677627      1.027267     -1.374956
  H      -4.983407      2.490700      1.952173
  H      -4.807340      0.813184      3.336242
  H      -4.839896     -0.742323      4.993497
  H      -6.422876     -3.748595      5.116931
  H      -7.666299     -2.467720      6.286024
  H      -9.984448     -0.782309      3.674787
  H      -8.356823     -2.432826      0.774792
  H      -6.930972     -3.434949     -0.408772
  H      -0.072481     -6.407663      6.758289
  H       0.829416     -6.237647     10.247321
  H      -2.044473     -3.951162     11.341608
  H      -3.457884     -4.069864      9.532428
  H      -5.117732     -4.484922      7.961428
  N      -1.569243     -3.171385      4.785947
  H      -1.586334     -2.907231      5.774320
  H      -1.557274     -2.305259      4.240373
  H      -0.672811     -3.633775      4.614766
  N      -4.809653     -7.468308      5.284264
  N      -4.923334     -8.146074      6.147818
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961049535380
  N      -2.964779     -3.334956      2.440357
  C      -2.289101     -4.078818      1.375938
  C      -1.754375     -5.368696      1.930475
  N      -2.806979     -6.034900      2.750470
  C      -3.888519     -6.546595      1.850418
  C      -5.265098     -6.200721      2.384503
  N      -5.245319     -4.953458      3.151004
  Mo     -3.532429     -4.402048      4.131265
  N      -2.312688     -5.683061      5.395060
  C      -1.429278     -6.616276      4.698159
  C      -2.162492     -7.153028      3.493009
  H      -1.168488     -7.465026      5.349231
  H      -0.477512     -6.134112      4.406158
  H      -2.949208     -7.847670      3.806640
  H      -1.479993     -7.700679      2.820936
  H      -5.970890     -6.158431      1.547092
  H      -5.626125     -6.984211      3.071472
  H      -3.767402     -6.088798      0.864600
  H      -3.762231     -7.631988      1.722786
  H      -1.449997     -3.499304      0.960041
  H      -2.994939     -4.267173      0.549549
  H      -0.890278     -5.184125      2.582223
  H      -1.428323     -6.040257      1.116098
  C      -3.359846     -2.071533      2.100507
  C      -3.160468     -1.565231      0.787875
  C      -3.510539     -0.287791      0.381672
  C      -3.277101      0.054943     -1.044370
  O      -2.685209     -0.688244     -1.823375
  C      -4.107989      0.619526      1.321732
  C      -4.468967      2.020874      1.073625
  O      -4.258085      2.677487      0.060162
  C      -4.340776      0.146739      2.603417
  C      -4.006700     -1.159455      3.034522
  C      -4.362953     -1.497998      4.354722
  O      -4.222667     -2.667435      4.872795
  C      -6.288960     -4.064908      2.998661
  C      -6.826647     -3.443625      4.152901
  C      -7.853264     -2.505350      4.124346
  C      -8.187616     -1.935246      5.446088
  O      -8.898344     -0.966645      5.676979
  C      -8.459419     -2.150753      2.877963
  C      -9.596424     -1.222147      2.732650
  O     -10.097447     -0.936242      1.646038
  C      -7.932721     -2.743691      1.733667
  C      -6.861289     -3.652276      1.731324
  C      -6.306160     -3.893475      0.399987
  O      -5.271747     -4.492003      0.101167
  C      -2.056948     -5.468350      6.699890
  C      -0.832046     -5.869420      7.322142
  C      -0.518365     -5.547571      8.627798
  C       0.786741     -6.060827      9.151787
  O       1.736447     -6.308173      8.424449
  C      -1.449866     -4.838343      9.453334
  C      -1.151718     -4.372323     10.804630
  O      -0.047960     -4.392794     11.343897
  C      -2.693266     -4.542600      8.905918
  C      -3.014076     -4.817403      7.569215
  C      -4.376450     -4.679352      7.162090
  O      -4.803051     -4.855602      6.003415
  H      -2.737859     -2.195256      0.008285
  H      -3.674768      1.033239     -1.376432
  H      -4.987587      2.491732      1.948425
  H      -4.810411      0.813909      3.331269
  H      -4.839368     -0.737196      4.988556
  H      -6.426453     -3.748269      5.118130
  H      -7.671894     -2.468235      6.286387
  H      -9.991748     -0.788012      3.672877
  H      -8.360447     -2.440431      0.773480
  H      -6.909534     -3.409254     -0.405295
  H      -0.074896     -6.411102      6.757401
  H       0.824669     -6.257488     10.242580
  H      -2.039077     -3.955599     11.344227
  H      -3.452410     -4.064512      9.533414
  H      -5.114347     -4.475576      7.963277
  N      -1.570015     -3.168451      4.786889
  H      -1.588306     -2.905985      5.775797
  H      -1.557973     -2.301937      4.241848
  H      -0.673399     -3.632431      4.620734
  N      -4.807422     -7.464369      5.290204
  N      -4.921049     -8.140528      6.154943
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.960979215585
  N      -2.962533     -3.331355      2.440218
  C      -2.287642     -4.075004      1.374314
  C      -1.748782     -5.363378      1.928853
  N      -2.800237     -6.030753      2.749043
  C      -3.883665     -6.540613      1.848414
  C      -5.263506     -6.198746      2.383721
  N      -5.241971     -4.950705      3.151817
  Mo     -3.527858     -4.400483      4.130624
  N      -2.308658     -5.681454      5.396748
  C      -1.426921     -6.615692      4.699434
  C      -2.161330     -7.150369      3.494368
  H      -1.168589     -7.466029      5.349447
  H      -0.476689     -6.130871      4.407098
  H      -2.954168     -7.839981      3.803604
  H      -1.477135     -7.700379      2.825913
  H      -5.967200     -6.155693      1.544737
  H      -5.625440     -6.981676      3.070103
  H      -3.763160     -6.079882      0.863843
  H      -3.756413     -7.625854      1.718996
  H      -1.452456     -3.493842      0.952086
  H      -2.996950     -4.267410      0.551849
  H      -0.885326     -5.177930      2.581200
  H      -1.421122     -6.033091      1.113682
  C      -3.363046     -2.069525      2.099526
  C      -3.173439     -1.569228      0.783357
  C      -3.526346     -0.293007      0.374375
  C      -3.294633      0.047465     -1.052684
  O      -2.704391     -0.698033     -1.830802
  C      -4.117084      0.617699      1.316680
  C      -4.477396      2.019150      1.068614
  O      -4.260640      2.678198      0.057951
  C      -4.341242      0.149624      2.602125
  C      -4.004867     -1.156104      3.034429
  C      -4.361648     -1.496505      4.353747
  O      -4.221055     -2.666275      4.871638
  C      -6.285202     -4.061823      3.000094
  C      -6.824413     -3.439432      4.153421
  C      -7.849777     -2.500389      4.123484
  C      -8.181881     -1.926204      5.444271
  O      -8.903744     -0.965685      5.674526
  C      -8.456625     -2.147708      2.876973
  C      -9.595087     -1.220920      2.731102
  O     -10.096223     -0.935845      1.644308
  C      -7.931851     -2.744610      1.733684
  C      -6.857032     -3.649609      1.733225
  C      -6.308616     -3.902162      0.401157
  O      -5.274580     -4.502533      0.104973
  C      -2.054395     -5.468853      6.702649
  C      -0.833308     -5.877650      7.327376
  C      -0.521472     -5.559695      8.634405
  C       0.778617     -6.081658      9.161977
  O       1.734667     -6.320060      8.439844
  C      -1.450350     -4.844064      9.457357
  C      -1.152368     -4.381200     10.809817
  O      -0.050330     -4.410197     11.352207
  C      -2.689962     -4.539541      8.907049
  C      -3.011198     -4.815070      7.570739
  C      -4.372670     -4.673342      7.162940
  O      -4.798305     -4.850031      6.004090
  H      -2.755237     -2.202325      0.003851
  H      -3.687858      1.027663     -1.384692
  H      -4.979743      2.494821      1.950388
  H      -4.815550      0.815763      3.328135
  H      -4.838788     -0.736746      4.988120
  H      -6.422137     -3.740626      5.118789
  H      -7.685304     -2.472556      6.287654
  H      -9.989581     -0.784872      3.670947
  H      -8.362886     -2.446867      0.773190
  H      -6.897093     -3.398763     -0.403499
  H      -0.078083     -6.424144      6.764481
  H       0.817586     -6.263713     10.255299
  H      -2.038425     -3.959659     11.347868
  H      -3.447820     -4.057745      9.533317
  H      -5.110726     -4.464912      7.962804
  N      -1.564073     -3.168293      4.784708
  H      -1.581379     -2.907264      5.774289
  H      -1.552427     -2.300819      4.240542
  H      -0.667762     -3.634431      4.620882
  N      -4.802046     -7.464468      5.288010
  N      -4.913657     -8.141351      6.152283
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961111607998
  N      -2.962634     -3.332137      2.440641
  C      -2.284470     -4.075369      1.376869
  C      -1.748959     -5.364558      1.932491
  N      -2.802949     -6.030951      2.750328
  C      -3.883868     -6.540414      1.848430
  C      -5.261982     -6.199107      2.383837
  N      -5.244155     -4.951369      3.151415
  Mo     -3.530196     -4.399614      4.130928
  N      -2.312238     -5.682150      5.395877
  C      -1.429430     -6.616147      4.699010
  C      -2.162629     -7.151292      3.493800
  H      -1.170758     -7.466017      5.349609
  H      -0.477827     -6.133832      4.407411
  H      -2.953340     -7.842732      3.805707
  H      -1.480435     -7.701141      2.823206
  H      -5.967161     -6.158123      1.546552
  H      -5.622691     -6.982657      3.069845
  H      -3.763730     -6.079407      0.863990
  H      -3.755882     -7.625487      1.717239
  H      -1.445887     -3.494202      0.959984
  H      -2.989774     -4.265351      0.550546
  H      -0.886302     -5.180119      2.586197
  H      -1.420882     -6.035261      1.118097
  C      -3.360669     -2.070708      2.097628
  C      -3.161342     -1.566994      0.784098
  C      -3.513664     -0.291207      0.373953
  C      -3.272957      0.051991     -1.050832
  O      -2.681416     -0.692416     -1.829080
  C      -4.115001      0.616388      1.311749
  C      -4.478428      2.016792      1.062170
  O      -4.264983      2.674737      0.050119
  C      -4.348044      0.145827      2.594338
  C      -4.010946     -1.158945      3.028642
  C      -4.369088     -1.497621      4.347945
  O      -4.226397     -2.666159      4.867717
  C      -6.289192     -4.063796      3.001265
  C      -6.827605     -3.444710      4.155797
  C      -7.855036     -2.506969      4.127972
  C      -8.189431     -1.937569      5.450006
  O      -8.902254     -0.970673      5.681531
  C      -8.460391     -2.150483      2.881981
  C      -9.597704     -1.221989      2.737904
  O     -10.096499     -0.931663      1.651403
  C      -7.933439     -2.741786      1.737658
  C      -6.861308     -3.649277      1.733880
  C      -6.307070     -3.892148      0.402483
  O      -5.274205     -4.492340      0.101870
  C      -2.056529     -5.469676      6.700910
  C      -0.834279     -5.877517      7.324012
  C      -0.520183     -5.557880      8.629733
  C       0.781214     -6.078668      9.154905
  O       1.733108     -6.323537      8.429612
  C      -1.448435     -4.843106      9.454364
  C      -1.148506     -4.378652     10.805844
  O      -0.044927     -4.404049     11.345205
  C      -2.688877     -4.540651      8.906306
  C      -3.010774     -4.814675      7.570235
  C      -4.371849     -4.670736      7.163403
  O      -4.800110     -4.848683      6.005167
  H      -2.734479     -2.196982      0.006758
  H      -3.665893      1.032184     -1.383099
  H      -4.993138      2.488747      1.938681
  H      -4.824036      0.811978      3.319197
  H      -4.848933     -0.737561      4.979883
  H      -6.426206     -3.748751      5.120594
  H      -7.678960     -2.475010      6.290709
  H      -9.992840     -0.788992      3.678822
  H      -8.361387     -2.437776      0.777806
  H      -6.904768     -3.398679     -0.401446
  H      -0.079307     -6.423342      6.760251
  H       0.817757     -6.274148     10.245986
  H      -2.033205     -3.954178     11.343817
  H      -3.445816     -4.058242      9.533237
  H      -5.108305     -4.461386      7.964469
  N      -1.571834     -3.165275      4.790695
  H      -1.591638     -2.903298      5.779944
  H      -1.559410     -2.298423      4.245928
  H      -0.674575     -3.629309      4.627311
  N      -4.803781     -7.463121      5.294876
  N      -4.916481     -8.138766      6.159781
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961129104126
  N      -2.960856     -3.331737      2.441013
  C      -2.281930     -4.074588      1.377286
  C      -1.747435     -5.363801      1.932541
  N      -2.802314     -6.029748      2.749333
  C      -3.883396     -6.538002      1.847834
  C      -5.261092     -6.198289      2.384195
  N      -5.243834     -4.951059      3.151505
  Mo     -3.529330     -4.399018      4.130720
  N      -2.312245     -5.682737      5.395688
  C      -1.430467     -6.617211      4.698300
  C      -2.163752     -7.150745      3.492706
  H      -1.173044     -7.467896      5.348191
  H      -0.479138     -6.134820      4.405966
  H      -2.955504     -7.841131      3.802532
  H      -1.481577     -7.701437      2.822758
  H      -5.966866     -6.157783      1.546163
  H      -5.622155     -6.982558      3.070366
  H      -3.765199     -6.075227      0.864039
  H      -3.755288     -7.622608      1.714340
  H      -1.443645     -3.493569      0.962829
  H      -2.986329     -4.263562      0.549790
  H      -0.885475     -5.179210      2.587066
  H      -1.418594     -6.034791      1.118653
  C      -3.359821     -2.070113      2.096432
  C      -3.159935     -1.566563      0.783494
  C      -3.513846     -0.291361      0.373261
  C      -3.273989      0.051095     -1.051622
  O      -2.682220     -0.693888     -1.829100
  C      -4.115705      0.616931      1.310340
  C      -4.479371      2.017201      1.060100
  O      -4.267650      2.674316      0.047178
  C      -4.348502      0.146698      2.593323
  C      -4.010833     -1.157963      3.027402
  C      -4.368745     -1.497114      4.346649
  O      -4.225600     -2.665521      4.866627
  C      -6.289462     -4.064087      3.001247
  C      -6.828304     -3.446036      4.155780
  C      -7.856720     -2.509240      4.128186
  C      -8.191702     -1.940628      5.450397
  O      -8.901455     -0.971491      5.681868
  C      -8.461446     -2.152035      2.882056
  C      -9.597154     -1.221585      2.737524
  O     -10.098570     -0.934773      1.651332
  C      -7.933719     -2.742354      1.737736
  C      -6.861353     -3.649445      1.733826
  C      -6.307834     -3.892313      0.402184
  O      -5.275382     -4.493240      0.101915
  C      -2.056573     -5.470031      6.701027
  C      -0.835142     -5.879991      7.324615
  C      -0.519967     -5.559322      8.629969
  C       0.780736     -6.081421      9.155511
  O       1.731766     -6.330039      8.430276
  C      -1.446642     -4.841745      9.453861
  C      -1.145421     -4.377218     10.805035
  O      -0.044022     -4.413983     11.348129
  C      -2.686606     -4.537214      8.905560
  C      -3.009818     -4.811610      7.569612
  C      -4.371158     -4.665899      7.163654
  O      -4.799909     -4.844818      6.006229
  H      -2.732834     -2.196051      0.005937
  H      -3.664757      1.032043     -1.383950
  H      -4.995083      2.489105      1.936144
  H      -4.824119      0.812819      3.318133
  H      -4.849478     -0.737609      4.978715
  H      -6.426729     -3.749966      5.120612
  H      -7.678025     -2.475800      6.290612
  H      -9.996907     -0.793951      3.678902
  H      -8.361868     -2.438588      0.777856
  H      -6.905417     -3.399183     -0.402084
  H      -0.081127     -6.427656      6.761473
  H       0.817743     -6.273921     10.247142
  H      -2.030861     -3.957828     11.345857
  H      -3.442435     -4.052774      9.532278
  H      -5.106747     -4.454537      7.965016
  N      -1.572245     -3.165371      4.794343
  H      -1.593227     -2.903613      5.783330
  H      -1.558823     -2.298279      4.249613
  H      -0.674957     -3.630025      4.632136
  N      -4.805061     -7.461359      5.297751
  N      -4.918140     -8.136443      6.162859
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961185115969
  N      -2.957798     -3.330971      2.441073
  C      -2.276141     -4.072355      1.377702
  C      -1.744000     -5.361746      1.932130
  N      -2.800870     -6.026514      2.746804
  C      -3.881778     -6.531714      1.845532
  C      -5.258370     -6.196039      2.384037
  N      -5.243589     -4.950631      3.151609
  Mo     -3.527864     -4.397393      4.129963
  N      -2.313740     -5.684900      5.395175
  C      -1.432702     -6.619030      4.696772
  C      -2.165208     -7.149180      3.490165
  H      -1.177195     -7.471519      5.344854
  H      -0.482258     -6.135860      4.403307
  H      -2.959436     -7.839021      3.795867
  H      -1.482753     -7.701440      2.821755
  H      -5.964287     -6.157111      1.546288
  H      -5.619384     -6.981288      3.068764
  H      -3.767870     -6.063902      0.863774
  H      -3.753297     -7.615695      1.706311
  H      -1.436137     -3.489633      0.968696
  H      -2.977569     -4.258633      0.547185
  H      -0.883610     -5.176238      2.588535
  H      -1.413200     -6.033846      1.119865
  C      -3.356812     -2.069915      2.093562
  C      -3.154084     -1.566991      0.781164
  C      -3.508304     -0.292136      0.370278
  C      -3.268999      0.048991     -1.054723
  O      -2.676681     -0.696857     -1.830943
  C      -4.111936      0.617150      1.305229
  C      -4.474107      2.017583      1.053596
  O      -4.263299      2.673058      0.039476
  C      -4.347174      0.147656      2.587994
  C      -4.010211     -1.156925      3.022421
  C      -4.367436     -1.495569      4.341652
  O      -4.224521     -2.663532      4.863116
  C      -6.291781     -4.065768      3.003064
  C      -6.832075     -3.451492      4.158757
  C      -7.863828     -2.518186      4.133429
  C      -8.200044     -1.953108      5.456847
  O      -8.911380     -0.985673      5.690325
  C      -8.468017     -2.158497      2.887820
  C      -9.605465     -1.229795      2.744747
  O     -10.101912     -0.935549      1.658369
  C      -7.937524     -2.744066      1.742384
  C      -6.863997     -3.649868      1.736590
  C      -6.309899     -3.888629      0.404537
  O      -5.277053     -4.488453      0.103938
  C      -2.058141     -5.472036      6.700937
  C      -0.838768     -5.886872      7.325824
  C      -0.521751     -5.564084      8.630073
  C       0.777489     -6.089056      9.156127
  O       1.726969     -6.343464      8.430867
  C      -1.445678     -4.841237      9.452695
  C      -1.143058     -4.375785     10.803304
  O      -0.040885     -4.408881     11.344842
  C      -2.683951     -4.533095      8.903846
  C      -3.009172     -4.807891      7.568600
  C      -4.370045     -4.656540      7.163256
  O      -4.800278     -4.836297      6.006876
  H      -2.727095     -2.196459      0.003602
  H      -3.659560      1.029483     -1.388296
  H      -4.994158      2.489222      1.927293
  H      -4.821587      0.814653      3.312348
  H      -4.848870     -0.736266      4.973641
  H      -6.429997     -3.756517      5.123076
  H      -7.686102     -2.489633      6.296043
  H     -10.005310     -0.803531      3.686632
  H      -8.364416     -2.437427      0.782780
  H      -6.902411     -3.387592     -0.398667
  H      -0.086646     -6.438442      6.764161
  H       0.814143     -6.280004     10.248047
  H      -2.025224     -3.942722     11.338880
  H      -3.437628     -4.044318      9.529851
  H      -5.104187     -4.439607      7.964497
  N      -1.572837     -3.165782      4.801381
  H      -1.596133     -2.904835      5.790155
  H      -1.557489     -2.298006      4.257474
  H      -0.675540     -3.631174      4.640686
  N      -4.807391     -7.458701      5.301218
  N      -4.921328     -8.133187      6.166262
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961232063541
  N      -2.955159     -3.328353      2.439288
  C      -2.269556     -4.068260      1.376668
  C      -1.737776     -5.357968      1.932147
  N      -2.795193     -6.022062      2.745756
  C      -3.876423     -6.524808      1.842402
  C      -5.254771     -6.194718      2.382719
  N      -5.243070     -4.949718      3.152727
  Mo     -3.525661     -4.394172      4.127747
  N      -2.317637     -5.685827      5.395986
  C      -1.435076     -6.620210      4.699357
  C      -2.163746     -7.147382      3.489035
  H      -1.181746     -7.473632      5.346983
  H      -0.483629     -6.137832      4.408094
  H      -2.959042     -7.838692      3.790823
  H      -1.479645     -7.698870      2.821567
  H      -5.960634     -6.158280      1.545719
  H      -5.615299     -6.981221      3.065146
  H      -3.764596     -6.050386      0.863598
  H      -3.747036     -7.608459      1.699627
  H      -1.428753     -3.483324      0.970438
  H      -2.968613     -4.254303      0.544327
  H      -0.878348     -5.171617      2.589782
  H      -1.405859     -6.029993      1.120099
  C      -3.354390     -2.068289      2.088382
  C      -3.152066     -1.568196      0.774906
  C      -3.504981     -0.293973      0.360092
  C      -3.263673      0.046087     -1.064802
  O      -2.672243     -0.700113     -1.841456
  C      -4.108990      0.616993      1.293487
  C      -4.467239      2.018090      1.041029
  O      -4.246147      2.675290      0.030224
  C      -4.345757      0.150222      2.577042
  C      -4.008503     -1.153403      3.014307
  C      -4.366070     -1.491721      4.332940
  O      -4.224651     -2.659539      4.855905
  C      -6.294620     -4.067441      3.007994
  C      -6.835988     -3.457370      4.165870
  C      -7.871446     -2.528273      4.144337
  C      -8.208238     -1.967875      5.469636
  O      -8.921081     -1.002314      5.706309
  C      -8.475721     -2.165097      2.900041
  C      -9.613961     -1.236727      2.760108
  O     -10.108907     -0.936988      1.674603
  C      -7.942875     -2.744916      1.752598
  C      -6.868097     -3.649754      1.743354
  C      -6.312146     -3.882766      0.410996
  O      -5.278652     -4.480143      0.107635
  C      -2.061875     -5.473142      6.701627
  C      -0.845896     -5.894715      7.328304
  C      -0.527771     -5.570764      8.631280
  C       0.769219     -6.100039      9.157766
  O       1.717210     -6.359130      8.432383
  C      -1.448781     -4.841755      9.452607
  C      -1.146928     -4.374899     10.803041
  O      -0.046441     -4.410936     11.347561
  C      -2.683683     -4.529036      8.902587
  C      -3.008871     -4.803730      7.568463
  C      -4.367495     -4.646610      7.161929
  O      -4.799088     -4.826609      6.004984
  H      -2.724199     -2.199267     -0.000955
  H      -3.655539      1.025891     -1.399243
  H      -4.986516      2.491421      1.914060
  H      -4.823696      0.817761      3.299027
  H      -4.846486     -0.731771      4.964830
  H      -6.431612     -3.763206      5.128817
  H      -7.693362     -2.506240      6.307023
  H     -10.014271     -0.814234      3.703505
  H      -8.368796     -2.434125      0.793892
  H      -6.906146     -3.381386     -0.390854
  H      -0.095923     -6.451022      6.768317
  H       0.806860     -6.286154     10.250417
  H      -2.028642     -3.935934     11.334705
  H      -3.435655     -4.035784      9.527283
  H      -5.100743     -4.424118      7.962446
  N      -1.570131     -3.164847      4.802235
  H      -1.594480     -2.905985      5.791963
  H      -1.553950     -2.296331      4.260254
  H      -0.673116     -3.630837      4.643121
  N      -4.804518     -7.458292      5.297370
  N      -4.917603     -8.133194      6.161783
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961251725107
  N      -2.954012     -3.328204      2.440571
  C      -2.268543     -4.067781      1.377559
  C      -1.737534     -5.358181      1.932558
  N      -2.795454     -6.021828      2.745680
  C      -3.877558     -6.523875      1.842632
  C      -5.255593     -6.194567      2.383844
  N      -5.243757     -4.949830      3.154135
  Mo     -3.526012     -4.394350      4.128291
  N      -2.318217     -5.687032      5.396099
  C      -1.436529     -6.621702      4.699666
  C      -2.164808     -7.147727      3.488256
  H      -1.183651     -7.475608      5.346778
  H      -0.484852     -6.138668      4.409787
  H      -2.960264     -7.839479      3.788137
  H      -1.479767     -7.698491      2.821094
  H      -5.961936     -6.157805      1.546984
  H      -5.615634     -6.981649      3.066459
  H      -3.766819     -6.048382      0.864253
  H      -3.747212     -7.606877      1.696979
  H      -1.427559     -3.483213      0.972907
  H      -2.966947     -4.252703      0.544470
  H      -0.877815     -5.172342      2.589976
  H      -1.406352     -6.030713      1.120425
  C      -3.353308     -2.068070      2.089372
  C      -3.150565     -1.567316      0.776354
  C      -3.504072     -0.293406      0.361633
  C      -3.267829      0.045252     -1.064357
  O      -2.673895     -0.698736     -1.841227
  C      -4.108235      0.617534      1.294806
  C      -4.466606      2.018534      1.042088
  O      -4.244634      2.675581      0.031370
  C      -4.345912      0.150151      2.578009
  C      -4.008783     -1.153636      3.014986
  C      -4.365739     -1.491817      4.333715
  O      -4.224142     -2.659502      4.856955
  C      -6.294875     -4.067875      3.008147
  C      -6.836487     -3.457493      4.165308
  C      -7.871144     -2.527710      4.142723
  C      -8.207620     -1.965825      5.467519
  O      -8.922232     -1.001433      5.703488
  C      -8.474758     -2.164988      2.897887
  C      -9.611846     -1.235458      2.756737
  O     -10.108210     -0.938783      1.671015
  C      -7.942191     -2.745646      1.751189
  C      -6.867942     -3.650776      1.742871
  C      -6.311760     -3.884104      0.410604
  O      -5.277822     -4.481405      0.108561
  C      -2.062159     -5.474124      6.701691
  C      -0.845350     -5.894450      7.327505
  C      -0.526500     -5.569918      8.630320
  C       0.771446     -6.097718      9.156114
  O       1.719180     -6.356393      8.430204
  C      -1.447599     -4.841672      9.452207
  C      -1.145523     -4.374613     10.802487
  O      -0.045211     -4.411291     11.347303
  C      -2.683379     -4.529904      8.902749
  C      -3.008992     -4.804380      7.568461
  C      -4.368281     -4.648017      7.162518
  O      -4.800077     -4.826934      6.005800
  H      -2.723292     -2.198209      0.000062
  H      -3.664941      1.022693     -1.399355
  H      -4.987554      2.491741      1.914240
  H      -4.821898      0.818159      3.300691
  H      -4.846561     -0.732163      4.965746
  H      -6.431602     -3.762067      5.128523
  H      -7.694653     -2.504958      6.305584
  H     -10.011318     -0.810845      3.699555
  H      -8.367873     -2.435391      0.792249
  H      -6.905235     -3.383185     -0.391842
  H      -0.095485     -6.450093      6.766707
  H       0.810631     -6.281244     10.249179
  H      -2.027956     -3.938451     11.335275
  H      -3.435403     -4.037241      9.527837
  H      -5.101352     -4.427607      7.963803
  N      -1.570027     -3.165569      4.803872
  H      -1.594927     -2.907274      5.793538
  H      -1.553564     -2.296783      4.261988
  H      -0.673016     -3.631501      4.644164
  N      -4.806707     -7.457628      5.298609
  N      -4.920020     -8.132355      6.163025
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961274194323
  N      -2.949039     -3.327371      2.440931
  C      -2.263525     -4.067457      1.378074
  C      -1.734507     -5.358457      1.933561
  N      -2.794196     -6.020273      2.745491
  C      -3.877850     -6.520169      1.842439
  C      -5.255172     -6.190848      2.384013
  N      -5.243215     -4.947194      3.155387
  Mo     -3.524558     -4.393068      4.128183
  N      -2.318771     -5.688324      5.396226
  C      -1.438149     -6.623634      4.700569
  C      -2.165827     -7.147457      3.487440
  H      -1.187148     -7.478479      5.347179
  H      -0.485295     -6.140731      4.413658
  H      -2.962218     -7.839218      3.784498
  H      -1.479465     -7.697648      2.821137
  H      -5.961664     -6.153184      1.547301
  H      -5.615102     -6.978170      3.066822
  H      -3.767687     -6.042154      0.865291
  H      -3.748452     -7.602785      1.693961
  H      -1.421833     -3.483934      0.974838
  H      -2.960942     -4.251614      0.544041
  H      -0.874770     -5.173750      2.591233
  H      -1.404337     -6.032114      1.121886
  C      -3.349482     -2.067805      2.088217
  C      -3.148428     -1.567291      0.774919
  C      -3.503696     -0.294104      0.359972
  C      -3.271973      0.043418     -1.066828
  O      -2.674184     -0.697545     -1.843558
  C      -4.108109      0.617248      1.292499
  C      -4.467508      2.017765      1.038681
  O      -4.242630      2.674851      0.028621
  C      -4.344734      0.150162      2.576082
  C      -4.005690     -1.152915      3.013585
  C      -4.362345     -1.490656      4.332227
  O      -4.221290     -2.657928      4.856355
  C      -6.294674     -4.066092      3.009285
  C      -6.836619     -3.457074      4.166378
  C      -7.871620     -2.527580      4.143965
  C      -8.207534     -1.965370      5.468788
  O      -8.924446     -1.002861      5.705165
  C      -8.475942     -2.165470      2.899199
  C      -9.614385     -1.237625      2.758327
  O     -10.115477     -0.946752      1.673182
  C      -7.943263     -2.745055      1.752499
  C      -6.868051     -3.648658      1.744059
  C      -6.312847     -3.882059      0.411215
  O      -5.278254     -4.478381      0.109713
  C      -2.062726     -5.475118      6.701885
  C      -0.845173     -5.893983      7.327125
  C      -0.526458     -5.569446      8.630045
  C       0.771917     -6.096213      9.155970
  O       1.719459     -6.355437      8.430071
  C      -1.448247     -4.842579      9.452339
  C      -1.146763     -4.375909     10.802810
  O      -0.047101     -4.414289     11.348762
  C      -2.684773     -4.532061      8.903154
  C      -3.009817     -4.805594      7.568417
  C      -4.369604     -4.649604      7.162053
  O      -4.801067     -4.826131      6.005170
  H      -2.720904     -2.197676     -0.001681
  H      -3.675942      1.017694     -1.402744
  H      -4.991590      2.490766      1.909073
  H      -4.821237      0.817794      3.298656
  H      -4.843841     -0.731234      4.964091
  H      -6.432071     -3.762825      5.129400
  H      -7.694490     -2.504633      6.306688
  H     -10.011747     -0.810580      3.700941
  H      -8.369667     -2.435202      0.793813
  H      -6.907577     -3.383035     -0.391335
  H      -0.095347     -6.448692      6.765415
  H       0.811603     -6.277586     10.249413
  H      -2.030303     -3.943211     11.336517
  H      -3.437317     -4.040539      9.528453
  H      -5.102772     -4.432155      7.964094
  N      -1.566830     -3.167235      4.805205
  H      -1.592901     -2.910172      5.794995
  H      -1.549227     -2.298043      4.263853
  H      -0.670109     -3.633689      4.645194
  N      -4.809430     -7.455215      5.299670
  N      -4.923680     -8.129673      6.163881
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961290756204
  N      -2.944847     -3.326641      2.441135
  C      -2.258993     -4.066900      1.378545
  C      -1.731667     -5.358724      1.934514
  N      -2.792859     -6.019176      2.745441
  C      -3.878090     -6.516739      1.841681
  C      -5.254948     -6.187927      2.384068
  N      -5.243091     -4.945254      3.157209
  Mo     -3.523369     -4.392340      4.127951
  N      -2.319366     -5.689587      5.396521
  C      -1.439586     -6.625769      4.701303
  C      -2.166798     -7.147725      3.486932
  H      -1.190827     -7.481544      5.347707
  H      -0.485251     -6.143930      4.417145
  H      -2.964512     -7.838534      3.782263
  H      -1.479709     -7.698041      2.821498
  H      -5.961708     -6.149235      1.547690
  H      -5.614209     -6.975713      3.066730
  H      -3.767608     -6.036034      0.865904
  H      -3.749418     -7.599013      1.690610
  H      -1.416681     -3.484272      0.976121
  H      -2.955582     -4.250615      0.543767
  H      -0.871762     -5.175923      2.592408
  H      -1.402744     -6.032725      1.122403
  C      -3.346353     -2.067791      2.087222
  C      -3.145791     -1.567764      0.773747
  C      -3.501925     -0.295206      0.357713
  C      -3.272325      0.041892     -1.069420
  O      -2.670705     -0.695884     -1.846215
  C      -4.108661      0.615952      1.289069
  C      -4.471173      2.015396      1.034234
  O      -4.245529      2.672901      0.024578
  C      -4.346146      0.148979      2.572595
  C      -4.005318     -1.153341      3.011299
  C      -4.361785     -1.490823      4.329696
  O      -4.220275     -2.657509      4.854908
  C      -6.295233     -4.064831      3.011321
  C      -6.837422     -3.456532      4.168503
  C      -7.872214     -2.526693      4.146211
  C      -8.207674     -1.964246      5.471051
  O      -8.925857     -1.002768      5.707728
  C      -8.476881     -2.164869      2.901573
  C      -9.615835     -1.237568      2.761138
  O     -10.119952     -0.950104      1.676459
  C      -7.944382     -2.744192      1.754739
  C      -6.868643     -3.647032      1.746274
  C      -6.311520     -3.878072      0.413615
  O      -5.275267     -4.471942      0.113097
  C      -2.063217     -5.476040      6.702114
  C      -0.844371     -5.892295      7.326640
  C      -0.526483     -5.568553      8.629738
  C       0.772397     -6.094002      9.155755
  O       1.719886     -6.353292      8.429902
  C      -1.449631     -4.843988      9.452521
  C      -1.149114     -4.377995     10.803447
  O      -0.049547     -4.415611     11.349656
  C      -2.686538     -4.535090      8.903785
  C      -3.010686     -4.807448      7.568839
  C      -4.370475     -4.652032      7.161961
  O      -4.801259     -4.826494      6.004586
  H      -2.717509     -2.198224     -0.002526
  H      -3.682250      1.013553     -1.405880
  H      -5.000226      2.486814      1.902431
  H      -4.824327      0.816209      3.294556
  H      -4.844511     -0.731628      4.960884
  H      -6.431830     -3.761909      5.131194
  H      -7.692872     -2.502324      6.308633
  H     -10.010902     -0.808137      3.703646
  H      -8.370981     -2.434196      0.796193
  H      -6.905492     -3.378215     -0.388952
  H      -0.093971     -6.445253      6.763986
  H       0.812043     -6.275041     10.249255
  H      -2.033523     -3.947590     11.337503
  H      -3.439838     -4.045137      9.529379
  H      -5.103623     -4.437068      7.964725
  N      -1.563959     -3.168929      4.804661
  H      -1.590957     -2.913900      5.795017
  H      -1.546048     -2.299159      4.264442
  H      -0.667395     -3.635881      4.645599
  N      -4.810220     -7.454761      5.299964
  N      -4.924718     -8.129292      6.163765
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961303877109
  N      -2.943198     -3.325839      2.440042
  C      -2.258051     -4.067232      1.377943
  C      -1.730923     -5.358683      1.935310
  N      -2.792510     -6.019116      2.745918
  C      -3.877966     -6.516971      1.842042
  C      -5.254044     -6.185706      2.383860
  N      -5.241509     -4.942723      3.156151
  Mo     -3.522244     -4.391200      4.127435
  N      -2.318637     -5.688644      5.396015
  C      -1.438684     -6.625472      4.701300
  C      -2.166491     -7.147529      3.487662
  H      -1.191058     -7.480945      5.348713
  H      -0.483186     -6.145994      4.417209
  H      -2.964254     -7.837471      3.784919
  H      -1.480545     -7.698947      2.822011
  H      -5.960312     -6.146159      1.547154
  H      -5.613880     -6.972557      3.067157
  H      -3.766251     -6.037578      0.865743
  H      -3.751630     -7.599897      1.693576
  H      -1.415566     -3.485463      0.974072
  H      -2.955098     -4.252028      0.543760
  H      -0.871198     -5.176406      2.593508
  H      -1.401922     -6.032503      1.123159
  C      -3.344980     -2.067203      2.086134
  C      -3.145668     -1.567846      0.772154
  C      -3.502976     -0.295669      0.355844
  C      -3.272450      0.042075     -1.070997
  O      -2.672052     -0.696197     -1.848254
  C      -4.109088      0.615862      1.287315
  C      -4.473645      2.014630      1.031795
  O      -4.251291      2.671245      0.020796
  C      -4.343878      0.149977      2.571746
  C      -4.001855     -1.151836      3.010985
  C      -4.358480     -1.489078      4.329267
  O      -4.217852     -2.655901      4.854628
  C      -6.293518     -4.061985      3.010864
  C      -6.835240     -3.453698      4.168766
  C      -7.870850     -2.524962      4.147249
  C      -8.206357     -1.963382      5.472516
  O      -8.924828     -1.002254      5.709907
  C      -8.477594     -2.164492      2.903181
  C      -9.620108     -1.241349      2.764093
  O     -10.124906     -0.953844      1.679742
  C      -7.945463     -2.743724      1.755618
  C      -6.867592     -3.644266      1.746654
  C      -6.312287     -3.876898      0.413446
  O      -5.275898     -4.469919      0.111777
  C      -2.062791     -5.474833      6.701754
  C      -0.843694     -5.890131      7.326425
  C      -0.527204     -5.568383      8.630471
  C       0.771460     -6.094183      9.156877
  O       1.719826     -6.351842      8.431532
  C      -1.451643     -4.845784      9.453481
  C      -1.152423     -4.381423     10.805335
  O      -0.052780     -4.417714     11.351584
  C      -2.688673     -4.537172      8.904272
  C      -3.011598     -4.808381      7.568662
  C      -4.371468     -4.653664      7.160768
  O      -4.801717     -4.826762      6.003055
  H      -2.717156     -2.198447     -0.003909
  H      -3.679072      1.015603     -1.406278
  H      -5.000771      2.486534      1.900894
  H      -4.823781      0.816611      3.293184
  H      -4.840671     -0.729396      4.960264
  H      -6.430793     -3.761089      5.131270
  H      -7.689875     -2.500739      6.309555
  H     -10.016619     -0.814531      3.707174
  H      -8.374050     -2.435332      0.797429
  H      -6.908824     -3.379128     -0.388577
  H      -0.092515     -6.441749      6.763427
  H       0.809830     -6.277837     10.249952
  H      -2.037288     -3.951894     11.339279
  H      -3.442808     -4.048619      9.529934
  H      -5.105438     -4.439055      7.962907
  N      -1.560872     -3.170026      4.803284
  H      -1.587683     -2.914538      5.793619
  H      -1.542198     -2.300474      4.262870
  H      -0.664686     -3.637463      4.643451
  N      -4.810719     -7.452772      5.300176
  N      -4.925924     -8.126930      6.164094
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961320458257
  N      -2.941151     -3.324773      2.439126
  C      -2.256389     -4.067129      1.377674
  C      -1.729934     -5.358528      1.936314
  N      -2.792394     -6.019056      2.745859
  C      -3.878223     -6.516135      1.841004
  C      -5.253217     -6.182929      2.383412
  N      -5.239833     -4.939866      3.155160
  Mo     -3.521077     -4.390325      4.126696
  N      -2.318357     -5.688378      5.395486
  C      -1.438764     -6.626477      4.701172
  C      -2.167591     -7.147711      3.488262
  H      -1.193659     -7.481897      5.349777
  H      -0.481728     -6.150755      4.416370
  H      -2.966412     -7.835908      3.787250
  H      -1.483494     -7.701331      2.822555
  H      -5.958952     -6.142135      1.546575
  H      -5.613196     -6.969037      3.066973
  H      -3.764862     -6.037405      0.864539
  H      -3.754068     -7.599592      1.694147
  H      -1.413043     -3.486050      0.972907
  H      -2.953491     -4.252621      0.543652
  H      -0.870673     -5.177446      2.595313
  H      -1.400589     -6.031565      1.123767
  C      -3.343226     -2.066502      2.085052
  C      -3.143655     -1.568020      0.770751
  C      -3.501967     -0.296321      0.353598
  C      -3.266663      0.043121     -1.072090
  O      -2.669176     -0.697059     -1.849856
  C      -4.110345      0.615063      1.283984
  C      -4.481560      2.011862      1.026966
  O      -4.267932      2.667281      0.013264
  C      -4.343566      0.150355      2.569146
  C      -3.999750     -1.150454      3.009795
  C      -4.356647     -1.487403      4.327706
  O      -4.216377     -2.654378      4.853902
  C      -6.291685     -4.058844      3.010585
  C      -6.832835     -3.450064      4.169835
  C      -7.868966     -2.522750      4.149286
  C      -8.205086     -1.962491      5.475197
  O      -8.924370     -1.002077      5.713187
  C      -8.477933     -2.163269      2.905976
  C      -9.624056     -1.244304      2.768789
  O     -10.127134     -0.952959      1.684713
  C      -7.946316     -2.743021      1.757317
  C      -6.865789     -3.641217      1.747809
  C      -6.311336     -3.875015      0.414422
  O      -5.274746     -4.466969      0.111213
  C      -2.062881     -5.473715      6.701555
  C      -0.843155     -5.887370      7.326057
  C      -0.527895     -5.568014      8.631326
  C       0.770972     -6.093601      9.157691
  O       1.720834     -6.347485      8.432807
  C      -1.453707     -4.847939      9.454757
  C      -1.155407     -4.385662     10.807617
  O      -0.055344     -4.420125     11.353278
  C      -2.690990     -4.539128      8.905004
  C      -3.013071     -4.809211      7.568574
  C      -4.373006     -4.655358      7.160084
  O      -4.802441     -4.827016      6.002092
  H      -2.713176     -2.198478     -0.004344
  H      -3.667070      1.019734     -1.405909
  H      -5.006297      2.483387      1.897748
  H      -4.826519      0.816151      3.289325
  H      -4.838705     -0.727042      4.958005
  H      -6.427835     -3.757517      5.132031
  H      -7.685909     -2.498275      6.311622
  H     -10.024342     -0.823661      3.713085
  H      -8.377314     -2.436777      0.799494
  H      -6.911723     -3.381095     -0.387270
  H      -0.090961     -6.437089      6.762457
  H       0.807812     -6.281933     10.250012
  H      -2.040395     -3.956642     11.341751
  H      -3.445805     -4.051852      9.530852
  H      -5.107375     -4.441201      7.962054
  N      -1.557262     -3.171851      4.801435
  H      -1.583964     -2.916556      5.791814
  H      -1.537921     -2.302151      4.261191
  H      -0.661436     -3.640179      4.642203
  N      -4.811200     -7.451655      5.300692
  N      -4.926925     -8.125532      6.164475
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961329249191
  N      -2.939434     -3.324351      2.439820
  C      -2.253925     -4.066787      1.378688
  C      -1.728848     -5.358779      1.937516
  N      -2.792421     -6.018246      2.746161
  C      -3.878582     -6.514212      1.840912
  C      -5.252913     -6.181694      2.384589
  N      -5.239917     -4.938913      3.156430
  Mo     -3.520815     -4.389414      4.127146
  N      -2.319197     -5.688590      5.395975
  C      -1.439841     -6.626937      4.701576
  C      -2.168556     -7.147396      3.488478
  H      -1.195475     -7.482745      5.349983
  H      -0.482723     -6.151564      4.416790
  H      -2.968134     -7.835054      3.786887
  H      -1.484772     -7.701685      2.822967
  H      -5.959150     -6.141100      1.548023
  H      -5.612459     -6.968208      3.067915
  H      -3.765800     -6.034230      0.865015
  H      -3.754417     -7.597529      1.692599
  H      -1.409358     -3.485766      0.976320
  H      -2.949596     -4.250950      0.543195
  H      -0.869779     -5.178315      2.596904
  H      -1.399732     -6.032085      1.125046
  C      -3.341422     -2.066303      2.084576
  C      -3.140141     -1.567790      0.770756
  C      -3.498767     -0.296442      0.353009
  C      -3.261215      0.043457     -1.072092
  O      -2.661750     -0.695976     -1.849094
  C      -4.110391      0.614505      1.281815
  C      -4.483999      2.010513      1.024006
  O      -4.272137      2.665934      0.009945
  C      -4.345478      0.149589      2.566630
  C      -4.000877     -1.150892      3.007917
  C      -4.357412     -1.487893      4.325751
  O      -4.216547     -2.654243      4.852538
  C      -6.292867     -4.058573      3.012417
  C      -6.833976     -3.450517      4.170970
  C      -7.871189     -2.523709      4.149952
  C      -8.208165     -1.963501      5.475517
  O      -8.928177     -1.003543      5.713106
  C      -8.479994     -2.164608      2.906540
  C      -9.626898     -1.246525      2.769490
  O     -10.128850     -0.953546      1.685302
  C      -7.947820     -2.743024      1.758397
  C      -6.867255     -3.640443      1.748666
  C      -6.312174     -3.873611      0.415699
  O      -5.275806     -4.466069      0.112670
  C      -2.063032     -5.474254      6.700960
  C      -0.843005     -5.888287      7.324827
  C      -0.527490     -5.569086      8.629260
  C       0.771060     -6.095447      9.155244
  O       1.720685     -6.349145      8.430247
  C      -1.452997     -4.848768      9.452956
  C      -1.154577     -4.386855     10.805952
  O      -0.054638     -4.421950     11.351722
  C      -2.689324     -4.539745      8.904140
  C      -3.011839     -4.808402      7.568410
  C      -4.371117     -4.652811      7.160854
  O      -4.802072     -4.824078      6.002861
  H      -2.707444     -2.197516     -0.003715
  H      -3.660977      1.020341     -1.406104
  H      -5.008690      2.481608      1.894929
  H      -4.829026      0.815483      3.286549
  H      -4.839925     -0.727459      4.955524
  H      -6.428575     -3.757194      5.133117
  H      -7.688750     -2.498623      6.312171
  H     -10.028949     -0.828267      3.714057
  H      -8.378867     -2.436714      0.800605
  H      -6.911624     -3.378567     -0.386060
  H      -0.091077     -6.438229      6.761024
  H       0.807930     -6.284383     10.247425
  H      -2.039342     -3.957238     11.339983
  H      -3.443488     -4.051909      9.530369
  H      -5.104674     -4.437984      7.963389
  N      -1.557475     -3.171460      4.803034
  H      -1.584491     -2.916243      5.793682
  H      -1.537871     -2.301893      4.263072
  H      -0.661605     -3.639443      4.643837
  N      -4.812134     -7.450758      5.303304
  N      -4.928081     -8.124281      6.167055
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961342733043
  N      -2.941815     -3.324542      2.439977
  C      -2.257637     -4.067379      1.378073
  C      -1.730971     -5.359210      1.936459
  N      -2.793104     -6.019706      2.745840
  C      -3.879821     -6.516532      1.841131
  C      -5.254570     -6.183576      2.385073
  N      -5.240162     -4.940266      3.156009
  Mo     -3.521768     -4.390580      4.126959
  N      -2.320460     -5.689029      5.396282
  C      -1.441185     -6.627492      4.702399
  C      -2.169135     -7.148456      3.488479
  H      -1.195882     -7.483015      5.350655
  H      -0.484538     -6.150967      4.417764
  H      -2.968393     -7.836846      3.786278
  H      -1.484726     -7.702135      2.822998
  H      -5.960436     -6.142810      1.548280
  H      -5.614595     -6.969841      3.068343
  H      -3.767234     -6.037380      0.864848
  H      -3.755090     -7.599939      1.693950
  H      -1.414067     -3.486168      0.974122
  H      -2.954635     -4.252130      0.544014
  H      -0.871740     -5.177249      2.595369
  H      -1.401173     -6.032424      1.123764
  C      -3.343035     -2.066349      2.085901
  C      -3.142682     -1.567168      0.772084
  C      -3.500080     -0.295191      0.355410
  C      -3.262198      0.045965     -1.069499
  O      -2.663036     -0.692553     -1.847681
  C      -4.108999      0.615683      1.285745
  C      -4.483702      2.011629      1.028724
  O      -4.275698      2.666894      0.013819
  C      -4.341663      0.150536      2.570812
  C      -3.998553     -1.150604      3.011253
  C      -4.353626     -1.487113      4.329481
  O      -4.214577     -2.654279      4.855499
  C      -6.292238     -4.059342      3.010203
  C      -6.833267     -3.450172      4.168831
  C      -7.870046     -2.523679      4.147269
  C      -8.207107     -1.962203      5.472546
  O      -8.928358     -1.003000      5.709132
  C      -8.479476     -2.165574      2.903607
  C      -9.625349     -1.246502      2.765562
  O     -10.126196     -0.952885      1.681092
  C      -7.946978     -2.745003      1.755716
  C      -6.866154     -3.642879      1.746766
  C      -6.311264     -3.875701      0.413745
  O      -5.274171     -4.467159      0.111220
  C      -2.064350     -5.474202      6.701977
  C      -0.844216     -5.887705      7.325317
  C      -0.526968     -5.567214      8.630235
  C       0.772802     -6.092450      9.154743
  O       1.721725     -6.345777      8.428327
  C      -1.451603     -4.846762      9.454474
  C      -1.152594     -4.383807     10.806907
  O      -0.052615     -4.418754     11.352628
  C      -2.690063     -4.538362      8.905467
  C      -3.013396     -4.808715      7.568938
  C      -4.373226     -4.654071      7.161540
  O      -4.803651     -4.825125      6.003891
  H      -2.711389     -2.196889     -0.003053
  H      -3.661492      1.023216     -1.402411
  H      -5.005926      2.482773      1.901218
  H      -4.822031      0.817117      3.291887
  H      -4.833669     -0.725995      4.960424
  H      -6.426584     -3.754391      5.131266
  H      -7.688567     -2.497180      6.309846
  H     -10.028716     -0.829065      3.709944
  H      -8.377906     -2.439665      0.797596
  H      -6.912956     -3.384391     -0.388578
  H      -0.092505     -6.437584      6.761232
  H       0.812218     -6.278649     10.247328
  H      -2.037681     -3.955583     11.341624
  H      -3.444140     -4.050595      9.531814
  H      -5.107345     -4.440692      7.963964
  N      -1.555321     -3.172835      4.800363
  H      -1.580764     -2.917185      5.790679
  H      -1.535947     -2.303250      4.260032
  H      -0.659834     -3.641638      4.640376
  N      -4.813383     -7.451879      5.300103
  N      -4.928949     -8.125695      6.163702
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961357759174
  N      -2.942334     -3.324458      2.440192
  C      -2.258935     -4.068140      1.378000
  C      -1.732179     -5.360214      1.936421
  N      -2.793924     -6.020667      2.745796
  C      -3.881744     -6.517221      1.841232
  C      -5.256059     -6.184028      2.386764
  N      -5.240139     -4.940300      3.156545
  Mo     -3.522166     -4.390860      4.126905
  N      -2.322675     -5.689739      5.397069
  C      -1.443783     -6.628786      4.703544
  C      -2.171140     -7.149445      3.488967
  H      -1.198416     -7.484304      5.351649
  H      -0.487280     -6.152038      4.418643
  H      -2.970801     -7.837768      3.785884
  H      -1.486526     -7.703353      2.823855
  H      -5.961915     -6.143162      1.549889
  H      -5.616271     -6.970301      3.069892
  H      -3.769706     -6.037732      0.865139
  H      -3.757044     -7.600682      1.694569
  H      -1.415057     -3.487027      0.974367
  H      -2.956181     -4.252370      0.544121
  H      -0.873110     -5.177183      2.595297
  H      -1.401769     -6.033425      1.124054
  C      -3.342809     -2.065988      2.086130
  C      -3.142224     -1.566152      0.772667
  C      -3.498791     -0.293537      0.357033
  C      -3.256023      0.050436     -1.066376
  O      -2.656343     -0.687458     -1.844786
  C      -4.108149      0.616913      1.287638
  C      -4.487018      2.011978      1.031059
  O      -4.286964      2.667032      0.014478
  C      -4.338872      0.151542      2.573063
  C      -3.996043     -1.149704      3.012971
  C      -4.348912     -1.486132      4.331534
  O      -4.211690     -2.653820      4.857076
  C      -6.292412     -4.059438      3.009690
  C      -6.833498     -3.449543      4.167676
  C      -7.871580     -2.524640      4.145253
  C      -8.209853     -1.962283      5.469930
  O      -8.933813     -1.004886      5.705329
  C      -8.482015     -2.168838      2.901350
  C      -9.628553     -1.250721      2.762524
  O     -10.126464     -0.954277      1.677522
  C      -7.948350     -2.748016      1.754034
  C      -6.866173     -3.644538      1.745807
  C      -6.310682     -3.877049      0.413209
  O      -5.272657     -4.467406      0.111588
  C      -2.065913     -5.474382      6.702279
  C      -0.845604     -5.888192      7.324881
  C      -0.526582     -5.566525      8.629339
  C       0.774087     -6.091223      9.152168
  O       1.721400     -6.346077      8.424122
  C      -1.449832     -4.845042      9.454013
  C      -1.149770     -4.381752     10.806014
  O      -0.049815     -4.418181     11.351637
  C      -2.688991     -4.536208      8.905636
  C      -3.013781     -4.807513      7.569300
  C      -4.373758     -4.652290      7.162963
  O      -4.804818     -4.822837      6.005463
  H      -2.709695     -2.194834     -0.002644
  H      -3.651967      1.029426     -1.398030
  H      -5.005127      2.482682      1.906280
  H      -4.817117      0.818604      3.295110
  H      -4.826064     -0.723906      4.963365
  H      -6.424551     -3.750100      5.130304
  H      -7.690828     -2.495631      6.307967
  H     -10.035670     -0.837104      3.706976
  H      -8.379564     -2.444147      0.795585
  H      -6.913096     -3.387859     -0.389809
  H      -0.094479     -6.438679      6.760694
  H       0.816200     -6.274521     10.245161
  H      -2.034293     -3.952650     11.340980
  H      -3.442213     -4.047712      9.532411
  H      -5.107375     -4.439205      7.965922
  N      -1.551966     -3.174782      4.798260
  H      -1.575814     -2.919041      5.788604
  H      -1.532308     -2.305235      4.257885
  H      -0.657135     -3.644777      4.638221
  N      -4.815857     -7.452098      5.299240
  N      -4.931296     -8.125798      6.162609
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961382029354
  N      -2.941259     -3.323296      2.440964
  C      -2.258219     -4.068324      1.378884
  C      -1.733193     -5.361413      1.937748
  N      -2.795736     -6.020934      2.745983
  C      -3.885228     -6.516204      1.841209
  C      -5.258184     -6.182568      2.389747
  N      -5.239853     -4.938054      3.157474
  Mo     -3.522484     -4.389815      4.127088
  N      -2.326268     -5.690106      5.398305
  C      -1.448777     -6.630750      4.704909
  C      -2.176029     -7.150407      3.489888
  H      -1.203925     -7.486355      5.352922
  H      -0.492150     -6.154739      4.419038
  H      -2.976895     -7.837783      3.785577
  H      -1.491520     -7.705305      2.825456
  H      -5.964422     -6.141474      1.552943
  H      -5.618320     -6.969049      3.072813
  H      -3.774065     -6.035481      0.865800
  H      -3.761407     -7.599784      1.695200
  H      -1.412645     -3.488075      0.978240
  H      -2.954334     -4.250127      0.543738
  H      -0.874684     -5.177498      2.597121
  H      -1.401860     -6.035094      1.125864
  C      -3.341136     -2.065095      2.085643
  C      -3.137763     -1.564468      0.773296
  C      -3.494187     -0.291824      0.357473
  C      -3.235431      0.058408     -1.061555
  O      -2.634887     -0.679362     -1.839569
  C      -4.108911      0.617245      1.286123
  C      -4.498931      2.009309      1.028657
  O      -4.316775      2.662859      0.007857
  C      -4.337470      0.152242      2.572248
  C      -3.993036     -1.148272      3.013144
  C      -4.342955     -1.483912      4.331996
  O      -4.208098     -2.651931      4.858057
  C      -6.293366     -4.057998      3.009643
  C      -6.834882     -3.447833      4.166730
  C      -7.876576     -2.526855      4.143370
  C      -8.217613     -1.964383      5.467302
  O      -8.947537     -1.011268      5.701438
  C      -8.489163     -2.175473      2.899267
  C      -9.638375     -1.260717      2.759522
  O     -10.130669     -0.958749      1.673564
  C      -7.952913     -2.753037      1.752556
  C      -6.866956     -3.645160      1.745028
  C      -6.310019     -3.876856      0.413172
  O      -5.270421     -4.465182      0.112843
  C      -2.067464     -5.474064      6.702264
  C      -0.847086     -5.890073      7.323452
  C      -0.524797     -5.567595      8.626937
  C       0.776002     -6.094750      9.147031
  O       1.720196     -6.353929      8.416422
  C      -1.444966     -4.843519      9.452672
  C      -1.141970     -4.380508     10.804015
  O      -0.041586     -4.420570     11.348540
  C      -2.684857     -4.533101      8.906259
  C      -3.012564     -4.804824      7.570494
  C      -4.372889     -4.647297      7.166543
  O      -4.806277     -4.816405      6.009591
  H      -2.698277     -2.190300     -0.000478
  H      -3.618255      1.043680     -1.389946
  H      -5.009371      2.479263      1.908834
  H      -4.815761      0.819421      3.294249
  H      -4.816447     -0.719428      4.963901
  H      -6.421813     -3.742313      5.129502
  H      -7.696021     -2.494028      6.306089
  H     -10.053037     -0.855197      3.704189
  H      -8.384968     -2.451615      0.793705
  H      -6.912591     -3.389475     -0.390738
  H      -0.097756     -6.442534      6.758938
  H       0.821217     -6.275838     10.240246
  H      -2.024501     -3.948547     11.339908
  H      -3.435994     -4.042925      9.534170
  H      -5.104985     -4.432806      7.970476
  N      -1.547741     -3.176719      4.797033
  H      -1.569626     -2.920712      5.787451
  H      -1.527230     -2.307386      4.256438
  H      -0.653765     -3.648417      4.637342
  N      -4.821131     -7.450539      5.302353
  N      -4.936801     -8.123320      6.165502
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.961392816005
  N      -2.940221     -3.323153      2.441329
  C      -2.256698     -4.068723      1.379756
  C      -1.733493     -5.362424      1.938900
  N      -2.797198     -6.020990      2.746150
  C      -3.886869     -6.515335      1.840842
  C      -5.259354     -6.181092      2.390097
  N      -5.239954     -4.936276      3.157203
  Mo     -3.522891     -4.389433      4.127250
  N      -2.327589     -5.690330      5.398721
  C      -1.451133     -6.631797      4.705028
  C      -2.179180     -7.150890      3.490543
  H      -1.206370     -7.487387      5.353061
  H      -0.494541     -6.156266      4.418240
  H      -2.981103     -7.837157      3.785984
  H      -1.494729     -7.706409      2.826567
  H      -5.965791     -6.139626      1.553542
  H      -5.619409     -6.967589      3.073149
  H      -3.775272     -6.034052      0.865800
  H      -3.763900     -7.599086      1.695554
  H      -1.409554     -3.489227      0.980944
  H      -2.951834     -4.248948      0.543394
  H      -0.875401     -5.178716      2.598820
  H      -1.401945     -6.036373      1.127703
  C      -3.340449     -2.065135      2.085040
  C      -3.134330     -1.563781      0.773513
  C      -3.491323     -0.291204      0.357590
  C      -3.219821      0.063281     -1.057947
  O      -2.621037     -0.676619     -1.835338
  C      -4.111626      0.616356      1.284213
  C      -4.509224      2.006216      1.025464
  O      -4.337941      2.658145      0.001796
  C      -4.340365      0.151242      2.570402
  C      -3.993945     -1.148364      3.012090
  C      -4.343061     -1.483464      4.331046
  O      -4.208603     -2.651459      4.857883
  C      -6.293932     -4.056643      3.009351
  C      -6.835623     -3.446630      4.166288
  C      -7.878760     -2.527261      4.142925
  C      -8.220940     -1.965399      5.466786
  O      -8.953925     -1.014632      5.700930
  C      -8.492379     -2.177752      2.898893
  C      -9.642791     -1.264407      2.758889
  O     -10.133376     -0.961029      1.672589
  C      -7.955015     -2.754298      1.752178
  C      -6.867093     -3.643938      1.744596
  C      -6.309441     -3.875704      0.413036
  O      -5.269846     -4.464062      0.112896
  C      -2.067540     -5.474182      6.702150
  C      -0.847227     -5.891741      7.322836
  C      -0.523398     -5.568955      8.625738
  C       0.777206     -6.097787      9.144752
  O       1.720068     -6.359086      8.413190
  C      -1.441746     -4.842903      9.451826
  C      -1.136288     -4.379509     10.802418
  O      -0.035136     -4.421270     11.345353
  C      -2.681619     -4.531013      8.906423
  C      -3.010932     -4.803606      7.571272
  C      -4.371719     -4.645706      7.168809
  O      -4.806603     -4.814245      6.012267
  H      -2.689134     -2.187260      0.001074
  H      -3.590092      1.054204     -1.383833
  H      -5.015878      2.475796      1.908066
  H      -4.821231      0.817572      3.291528
  H      -4.815929     -0.717958      4.962168
  H      -6.420630     -3.738704      5.129001
  H      -7.697339     -2.493117      6.305526
  H     -10.059978     -0.861534      3.703576
  H      -8.387402     -2.453525      0.793267
  H      -6.911499     -3.388053     -0.391078
  H      -0.099070     -6.445671      6.758242
  H       0.823314     -6.278577     10.237972
  H      -2.017243     -3.945689     11.339336
  H      -3.431609     -4.039678      9.534780
  H      -5.102716     -4.430664      7.973583
  N      -1.547822     -3.176820      4.797374
  H      -1.569257     -2.920603      5.787786
  H      -1.527008     -2.307752      4.256425
  H      -0.653923     -3.648876      4.638321
  N      -4.823997     -7.450182      5.305634
  N      -4.939986     -8.122402      6.168635
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.963316665078
  N      -2.934734     -3.317676      2.436823
  C      -2.254265     -4.068216      1.376168
  C      -1.738156     -5.366914      1.935189
  N      -2.803189     -6.019434      2.745911
  C      -3.897326     -6.504757      1.838399
  C      -5.269331     -6.171287      2.390500
  N      -5.244328     -4.925750      3.161422
  Mo     -3.519008     -4.379022      4.129010
  N      -2.330759     -5.686319      5.398481
  C      -1.463199     -6.636960      4.703657
  C      -2.200622     -7.154481      3.493408
  H      -1.221533     -7.492175      5.353550
  H      -0.502478     -6.171378      4.414366
  H      -3.011891     -7.824389      3.798336
  H      -1.526896     -7.723675      2.830124
  H      -5.973824     -6.116995      1.551655
  H      -5.633130     -6.964617      3.064817
  H      -3.784497     -6.011771      0.869203
  H      -3.779770     -7.587432      1.681933
  H      -1.402722     -3.493349      0.977645
  H      -2.949767     -4.244097      0.538736
  H      -0.877222     -5.189126      2.592960
  H      -1.413317     -6.042370      1.124207
  C      -3.321286     -2.054359      2.086413
  C      -3.108686     -1.551509      0.775093
  C      -3.448188     -0.271874      0.364300
  C      -3.178938      0.080014     -1.052438
  O      -2.594111     -0.669618     -1.831080
  C      -4.054190      0.638850      1.296282
  C      -4.433392      2.034904      1.042876
  O      -4.252306      2.687911      0.021507
  C      -4.289984      0.171521      2.579539
  C      -3.962333     -1.134079      3.015646
  C      -4.320129     -1.469165      4.333837
  O      -4.196024     -2.637480      4.857403
  C      -6.298969     -4.047983      3.010521
  C      -6.857753     -3.451247      4.165600
  C      -7.920762     -2.554908      4.139914
  C      -8.285110     -2.009736      5.464756
  O      -9.043182     -1.079028      5.699886
  C      -8.537247     -2.216402      2.894318
  C      -9.709278     -1.331250      2.752009
  O     -10.204457     -1.039656      1.664512
  C      -7.985504     -2.781033      1.748690
  C      -6.879934     -3.648093      1.744648
  C      -6.317693     -3.870384      0.413368
  O      -5.264724     -4.436394      0.116660
  C      -2.063634     -5.465006      6.698164
  C      -0.842755     -5.885685      7.315898
  C      -0.511937     -5.557942      8.615791
  C       0.791042     -6.086121      9.130014
  O       1.729744     -6.351312      8.394370
  C      -1.424341     -4.824780      9.442514
  C      -1.110241     -4.354550     10.788888
  O      -0.004653     -4.389231     11.323381
  C      -2.665861     -4.510307      8.900985
  C      -3.002789     -4.790414      7.569072
  C      -4.364519     -4.629270      7.168164
  O      -4.801505     -4.796541      6.011911
  H      -2.673799     -2.179643      0.000308
  H      -3.546770      1.072021     -1.379983
  H      -4.935013      2.507435      1.926475
  H      -4.763388      0.841594      3.303633
  H      -4.789876     -0.703293      4.966220
  H      -6.444993     -3.741982      5.129282
  H      -7.746152     -2.522635      6.302945
  H     -10.134253     -0.933264      3.695398
  H      -8.422857     -2.490553      0.788882
  H      -6.932104     -3.400425     -0.392050
  H      -0.098942     -6.444837      6.750291
  H       0.841765     -6.265761     10.222914
  H      -1.985931     -3.911211     11.326088
  H      -3.411158     -4.013087      9.530119
  H      -5.093685     -4.407279      7.972610
  N      -1.539106     -3.174540      4.801546
  H      -1.561224     -2.918026      5.793505
  H      -1.513714     -2.305661      4.262344
  H      -0.647277     -3.649654      4.642221
  N      -4.882477     -7.538264      5.350176
  N      -5.014086     -8.223908      6.205262
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.964706950728
  N      -2.921036     -3.308321      2.427000
  C      -2.238467     -4.062174      1.370031
  C      -1.731534     -5.366720      1.928780
  N      -2.800157     -6.013291      2.738862
  C      -3.897398     -6.492161      1.829271
  C      -5.268446     -6.165639      2.389176
  N      -5.241971     -4.915751      3.155423
  Mo     -3.511195     -4.365493      4.124546
  N      -2.336569     -5.682638      5.393450
  C      -1.475018     -6.640453      4.699683
  C      -2.220189     -7.153613      3.492390
  H      -1.238363     -7.495795      5.351652
  H      -0.509154     -6.184925      4.411942
  H      -3.046255     -7.800468      3.807525
  H      -1.558860     -7.741033      2.832631
  H      -5.976138     -6.108871      1.552621
  H      -5.625781     -6.963094      3.063350
  H      -3.788113     -5.986330      0.866581
  H      -3.780913     -7.573443      1.662569
  H      -1.380767     -3.491498      0.977215
  H      -2.929633     -4.232115      0.527724
  H      -0.869906     -5.195392      2.587533
  H      -1.410720     -6.042846      1.117895
  C      -3.296154     -2.041291      2.081881
  C      -3.078191     -1.539807      0.769504
  C      -3.404669     -0.255760      0.360647
  C      -3.142472      0.087100     -1.059763
  O      -2.559599     -0.669912     -1.832578
  C      -3.998171      0.658636      1.296348
  C      -4.361556      2.059214      1.044137
  O      -4.170283      2.710520      0.023429
  C      -4.242864      0.190720      2.577047
  C      -3.931944     -1.119445      3.009941
  C      -4.304448     -1.455336      4.325872
  O      -4.189657     -2.623669      4.846728
  C      -6.300392     -4.043603      3.008981
  C      -6.849212     -3.445245      4.167084
  C      -7.931656     -2.571783      4.152567
  C      -8.291376     -2.031508      5.480695
  O      -9.084926     -1.133404      5.725619
  C      -8.574850     -2.255945      2.914755
  C      -9.769779     -1.399649      2.785404
  O     -10.297517     -1.140254      1.705013
  C      -8.028242     -2.814430      1.763679
  C      -6.905616     -3.658593      1.749021
  C      -6.355264     -3.871580      0.410735
  O      -5.290477     -4.409899      0.104936
  C      -2.068001     -5.458122      6.690428
  C      -0.847560     -5.878725      7.309753
  C      -0.516932     -5.546490      8.608150
  C       0.788012     -6.069028      9.123375
  O       1.730199     -6.325183      8.389078
  C      -1.429823     -4.811241      9.432413
  C      -1.112893     -4.335388     10.776082
  O      -0.008636     -4.380103     11.312790
  C      -2.671787     -4.498515      8.890796
  C      -3.008645     -4.783982      7.560316
  C      -4.369182     -4.625153      7.153226
  O      -4.799912     -4.789238      5.993731
  H      -2.653227     -2.173969     -0.005897
  H      -3.494533      1.084839     -1.388621
  H      -4.858135      2.536828      1.927672
  H      -4.712169      0.864145      3.301660
  H      -4.778161     -0.690768      4.956579
  H      -6.415168     -3.722480      5.125887
  H      -7.734491     -2.533417      6.313756
  H     -10.190358     -1.006527      3.732812
  H      -8.485311     -2.537727      0.809038
  H      -6.990315     -3.417362     -0.387683
  H      -0.103773     -6.439469      6.745375
  H       0.841244     -6.242416     10.217086
  H      -1.990647     -3.904888     11.319904
  H      -3.417107     -3.999779      9.518578
  H      -5.103096     -4.404802      7.953676
  N      -1.533793     -3.166849      4.809907
  H      -1.561819     -2.912298      5.802953
  H      -1.502688     -2.296260      4.274388
  H      -0.642427     -3.643232      4.653256
  N      -4.933494     -7.612488      5.387191
  N      -5.072105     -8.300242      6.240920
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.965811288233
  N      -2.917556     -3.296252      2.426693
  C      -2.237992     -4.051130      1.369258
  C      -1.735155     -5.361019      1.922976
  N      -2.802789     -6.004078      2.734620
  C      -3.905369     -6.476787      1.827920
  C      -5.272046     -6.163019      2.406332
  N      -5.244881     -4.908432      3.164086
  Mo     -3.505619     -4.352979      4.130054
  N      -2.339914     -5.683304      5.390111
  C      -1.485403     -6.644642      4.692885
  C      -2.242372     -7.150118      3.489883
  H      -1.249815     -7.501188      5.343980
  H      -0.516615     -6.195810      4.404892
  H      -3.082339     -7.773545      3.817474
  H      -1.596306     -7.754501      2.830248
  H      -5.989968     -6.110882      1.578340
  H      -5.613007     -6.962447      3.087050
  H      -3.808417     -5.956100      0.871983
  H      -3.786084     -7.555930      1.649198
  H      -1.377560     -3.483432      0.978174
  H      -2.928708     -4.215551      0.525566
  H      -0.870560     -5.194943      2.579663
  H      -1.419846     -6.036189      1.108692
  C      -3.284033     -2.025956      2.090356
  C      -3.065818     -1.523529      0.776825
  C      -3.380686     -0.234943      0.372745
  C      -3.127628      0.102474     -1.051334
  O      -2.579044     -0.672976     -1.830918
  C      -3.958717      0.680982      1.315701
  C      -4.306707      2.086126      1.066893
  O      -4.110776      2.735149      0.045550
  C      -4.207362      0.210741      2.594187
  C      -3.911179     -1.104504      3.021318
  C      -4.293064     -1.442460      4.335617
  O      -4.184806     -2.612552      4.851991
  C      -6.304588     -4.042011      3.010601
  C      -6.852310     -3.425584      4.160343
  C      -7.949443     -2.571062      4.136244
  C      -8.317288     -2.021074      5.458415
  O      -9.122189     -1.130550      5.693670
  C      -8.604195     -2.288492      2.896011
  C      -9.815160     -1.456494      2.756911
  O     -10.347633     -1.220350      1.673424
  C      -8.052017     -2.855859      1.751087
  C      -6.917076     -3.683705      1.748171
  C      -6.357763     -3.905711      0.414404
  O      -5.282276     -4.431833      0.125062
  C      -2.065873     -5.458975      6.685736
  C      -0.842892     -5.878474      7.300802
  C      -0.507470     -5.544441      8.598518
  C       0.802261     -6.061616      9.107738
  O       1.739971     -6.318358      8.367633
  C      -1.419390     -4.812118      9.426545
  C      -1.096466     -4.334642     10.768069
  O       0.015873     -4.355067     11.289676
  C      -2.666253     -4.502404      8.889465
  C      -3.006366     -4.789948      7.559296
  C      -4.366966     -4.637590      7.149522
  O      -4.792078     -4.796058      5.987386
  H      -2.652859     -2.162195     -0.000899
  H      -3.490554      1.094326     -1.385714
  H      -4.797361      2.568065      1.951512
  H      -4.668600      0.886440      3.321523
  H      -4.768964     -0.679868      4.967211
  H      -6.408905     -3.679706      5.121282
  H      -7.726049     -2.479287      6.292966
  H     -10.226776     -1.036550      3.696603
  H      -8.515857     -2.600984      0.793719
  H      -7.000925     -3.481936     -0.394199
  H      -0.100611     -6.437833      6.732890
  H       0.856689     -6.249482     10.198964
  H      -1.968449     -3.890303     11.309981
  H      -3.410920     -4.006270      9.520027
  H      -5.106118     -4.428627      7.948127
  N      -1.529904     -3.160318      4.821165
  H      -1.559556     -2.909539      5.814573
  H      -1.495418     -2.286332      4.290331
  H      -0.639387     -3.638035      4.662417
  N      -4.976613     -7.680086      5.437014
  N      -5.109763     -8.362653      6.294870
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.966802591205
  N      -2.910825     -3.290769      2.417677
  C      -2.232979     -4.050598      1.363640
  C      -1.737690     -5.362457      1.919023
  N      -2.809786     -5.995792      2.728606
  C      -3.914867     -6.460082      1.823348
  C      -5.274742     -6.156683      2.420095
  N      -5.249727     -4.897511      3.168004
  Mo     -3.501423     -4.339246      4.127473
  N      -2.344386     -5.680386      5.382434
  C      -1.496252     -6.645878      4.684039
  C      -2.265582     -7.145874      3.488038
  H      -1.261434     -7.502151      5.336039
  H      -0.526567     -6.202294      4.390923
  H      -3.116887     -7.747836      3.827596
  H      -1.634196     -7.767755      2.830503
  H      -6.005234     -6.118388      1.602955
  H      -5.595880     -6.953201      3.112941
  H      -3.829991     -5.926377      0.874038
  H      -3.792863     -7.537149      1.633441
  H      -1.367992     -3.488266      0.975390
  H      -2.920749     -4.212392      0.516788
  H      -0.872406     -5.200333      2.575946
  H      -1.426109     -6.039886      1.104715
  C      -3.265093     -2.016324      2.082414
  C      -3.035604     -1.513239      0.770509
  C      -3.332492     -0.219736      0.368549
  C      -3.066475      0.118291     -1.053716
  O      -2.508752     -0.655687     -1.828166
  C      -3.905101      0.700238      1.311268
  C      -4.231692      2.110542      1.063197
  O      -4.020726      2.757635      0.043637
  C      -4.168179      0.229411      2.586765
  C      -3.888541     -1.090404      3.012208
  C      -4.281315     -1.427024      4.323249
  O      -4.181215     -2.598627      4.840814
  C      -6.316241     -4.039484      3.018249
  C      -6.868909     -3.425620      4.167944
  C      -7.985937     -2.596946      4.146027
  C      -8.363111     -2.055488      5.468965
  O      -9.202716     -1.199083      5.709427
  C      -8.653518     -2.335151      2.908187
  C      -9.883577     -1.531244      2.771624
  O     -10.434609     -1.324245      1.691319
  C      -8.092340     -2.891169      1.762148
  C      -6.938793     -3.692211      1.757044
  C      -6.367166     -3.890436      0.424513
  O      -5.269776     -4.371012      0.138860
  C      -2.065784     -5.454489      6.676748
  C      -0.841877     -5.874429      7.289886
  C      -0.504737     -5.538211      8.585956
  C       0.805291     -6.055221      9.094435
  O       1.746724     -6.299474      8.355117
  C      -1.415488     -4.804687      9.414386
  C      -1.087380     -4.325010     10.753677
  O       0.027642     -4.344695     11.269704
  C      -2.663085     -4.496256      8.880793
  C      -3.004333     -4.784480      7.552094
  C      -4.364044     -4.636268      7.140523
  O      -4.785187     -4.792877      5.976012
  H      -2.625817     -2.155085     -0.005965
  H      -3.397419      1.122750     -1.382848
  H      -4.718879      2.598796      1.946422
  H      -4.625050      0.908752      3.312971
  H      -4.758079     -0.661824      4.951040
  H      -6.418419     -3.669119      5.127578
  H      -7.753260     -2.493635      6.300968
  H     -10.300311     -1.117033      3.711511
  H      -8.563288     -2.645294      0.805851
  H      -7.016402     -3.475672     -0.383898
  H      -0.101693     -6.435633      6.721072
  H       0.861483     -6.241738     10.185886
  H      -1.957113     -3.881701     11.300078
  H      -3.406696     -4.000132      9.512618
  H      -5.107047     -4.436955      7.938006
  N      -1.529125     -3.153920      4.818166
  H      -1.558679     -2.904243      5.811362
  H      -1.490877     -2.278939      4.288621
  H      -0.640300     -3.634693      4.659009
  N      -5.014173     -7.733235      5.502821
  N      -5.138788     -8.404357      6.368815
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.967569507608
  N      -2.892809     -3.279665      2.410405
  C      -2.209632     -4.040153      1.360965
  C      -1.721860     -5.353740      1.917803
  N      -2.802365     -5.980665      2.717725
  C      -3.905816     -6.435011      1.807942
  C      -5.260989     -6.145683      2.420250
  N      -5.243011     -4.883511      3.160903
  Mo     -3.490966     -4.323513      4.119457
  N      -2.345915     -5.675261      5.372826
  C      -1.499215     -6.642333      4.676196
  C      -2.273514     -7.135758      3.481346
  H      -1.266799     -7.499422      5.327832
  H      -0.529201     -6.199986      4.381892
  H      -3.134440     -7.721439      3.826026
  H      -1.652663     -7.771622      2.827172
  H      -6.004550     -6.126536      1.613596
  H      -5.560052     -6.939015      3.125986
  H      -3.831316     -5.886376      0.867183
  H      -3.777521     -7.508805      1.602845
  H      -1.340378     -3.479697      0.980492
  H      -2.890155     -4.199659      0.508352
  H      -0.859865     -5.194918      2.579781
  H      -1.407599     -6.030723      1.103211
  C      -3.239676     -2.003617      2.073234
  C      -3.007212     -1.502979      0.761620
  C      -3.296845     -0.209347      0.357363
  C      -3.035436      0.121748     -1.067424
  O      -2.502726     -0.664444     -1.847092
  C      -3.863592      0.716466      1.298939
  C      -4.175975      2.129495      1.049450
  O      -3.951912      2.775094      0.031765
  C      -4.134344      0.247736      2.573912
  C      -3.864904     -1.074715      3.000731
  C      -4.268147     -1.410974      4.307038
  O      -4.175728     -2.585169      4.825687
  C      -6.317659     -4.034922      3.020963
  C      -6.854136     -3.410705      4.173869
  C      -7.985603     -2.601919      4.164206
  C      -8.345519     -2.050353      5.487904
  O      -9.214544     -1.227376      5.739615
  C      -8.684806     -2.369511      2.937777
  C      -9.929686     -1.586816      2.816405
  O     -10.511869     -1.411305      1.746795
  C      -8.137195     -2.929685      1.787330
  C      -6.970005     -3.710166      1.768299
  C      -6.416997     -3.908474      0.428274
  O      -5.319033     -4.377225      0.126795
  C      -2.071521     -5.450326      6.669199
  C      -0.850419     -5.870664      7.286419
  C      -0.520337     -5.535746      8.584670
  C       0.787678     -6.051161      9.099331
  O       1.732587     -6.293994      8.364187
  C      -1.435932     -4.805071      9.409820
  C      -1.112787     -4.327330     10.750786
  O      -0.004091     -4.370074     11.278844
  C      -2.681806     -4.498176      8.872236
  C      -3.015114     -4.782794      7.541183
  C      -4.372025     -4.640016      7.120699
  O      -4.781592     -4.792782      5.951017
  H      -2.602990     -2.149434     -0.013918
  H      -3.379150      1.119218     -1.403490
  H      -4.662405      2.622993      1.930352
  H      -4.588330      0.930599      3.298154
  H      -4.748590     -0.644388      4.930090
  H      -6.379773     -3.632302      5.127113
  H      -7.712914     -2.469507      6.312799
  H     -10.329977     -1.161664      3.758485
  H      -8.631085     -2.702503      0.837875
  H      -7.092743     -3.524328     -0.373602
  H      -0.107687     -6.430307      6.719496
  H       0.834971     -6.249679     10.189270
  H      -1.989690     -3.909849     11.306131
  H      -3.429187     -4.005469      9.502241
  H      -5.124095     -4.454549      7.913005
  N      -1.524865     -3.145963      4.816695
  H      -1.556726     -2.899368      5.810427
  H      -1.482003     -2.269329      4.290112
  H      -0.637321     -3.629501      4.658957
  N      -5.038670     -7.781476      5.549528
  N      -5.149864     -8.439723      6.426347
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.968280898220
  N      -2.881983     -3.269030      2.409297
  C      -2.195294     -4.027874      1.360519
  C      -1.712089     -5.344523      1.915426
  N      -2.798360     -5.968066      2.708392
  C      -3.903012     -6.412500      1.796095
  C      -5.252054     -6.139840      2.428601
  N      -5.238335     -4.872318      3.159059
  Mo     -3.482955     -4.311952      4.115661
  N      -2.346706     -5.673811      5.365069
  C      -1.503052     -6.642373      4.668143
  C      -2.283652     -7.128927      3.474100
  H      -1.271061     -7.500806      5.317552
  H      -0.534092     -6.199707      4.370663
  H      -3.152912     -7.700138      3.823494
  H      -1.674209     -7.776855      2.820963
  H      -6.012026     -6.143889      1.636120
  H      -5.524481     -6.929165      3.150200
  H      -3.841812     -5.847098      0.864828
  H      -3.767990     -7.482081      1.572802
  H      -1.323745     -3.467089      0.985555
  H      -2.871392     -4.184032      0.504333
  H      -0.851897     -5.188105      2.580035
  H      -1.395764     -6.019265      1.099376
  C      -3.224424     -1.992306      2.071903
  C      -2.995813     -1.492993      0.760064
  C      -3.283770     -0.199937      0.355268
  C      -3.036431      0.124836     -1.072998
  O      -2.494127     -0.656475     -1.851001
  C      -3.840901      0.730016      1.299161
  C      -4.146492      2.144738      1.051327
  O      -3.921925      2.790342      0.033840
  C      -4.110662      0.262140      2.574655
  C      -3.848044     -1.062464      3.001121
  C      -4.256200     -1.399414      4.303797
  O      -4.171246     -2.576936      4.821260
  C      -6.318019     -4.032343      3.021125
  C      -6.837721     -3.384837      4.169967
  C      -7.979759     -2.592318      4.163121
  C      -8.324609     -2.018234      5.481824
  O      -9.203640     -1.206266      5.733452
  C      -8.706575     -2.397597      2.945369
  C      -9.961251     -1.630739      2.828664
  O     -10.566481     -1.488749      1.766852
  C      -8.170627     -2.973872      1.796987
  C      -6.993152     -3.739130      1.774126
  C      -6.454771     -3.952322      0.430947
  O      -5.350138     -4.400880      0.123769
  C      -2.075587     -5.451725      6.664058
  C      -0.856833     -5.873704      7.282625
  C      -0.530565     -5.542369      8.584296
  C       0.776336     -6.058731      9.101022
  O       1.728930     -6.283325      8.369651
  C      -1.449063     -4.816037      9.409321
  C      -1.129741     -4.343789     10.752951
  O      -0.018391     -4.371479     11.276374
  C      -2.695670     -4.508253      8.868532
  C      -3.023797     -4.789011      7.533975
  C      -4.379720     -4.653200      7.107133
  O      -4.778861     -4.799588      5.933091
  H      -2.599418     -2.142625     -0.017099
  H      -3.358357      1.131182     -1.403523
  H      -4.630148      2.639987      1.932962
  H      -4.559331      0.947492      3.299684
  H      -4.737774     -0.632473      4.925136
  H      -6.340470     -3.573397      5.118911
  H      -7.653439     -2.390581      6.298794
  H     -10.344907     -1.181762      3.766544
  H      -8.683075     -2.772393      0.851493
  H      -7.144290     -3.588505     -0.368862
  H      -0.112562     -6.430907      6.715374
  H       0.821482     -6.259518     10.190725
  H      -2.005003     -3.915935     11.302964
  H      -3.445938     -4.020050      9.498494
  H      -5.139787     -4.482982      7.895117
  N      -1.519747     -3.141984      4.816361
  H      -1.550816     -2.899301      5.811210
  H      -1.473652     -2.263383      4.293386
  H      -0.633848     -3.628445      4.657947
  N      -5.056741     -7.831555      5.598491
  N      -5.146199     -8.473784      6.490080
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.968824481821
  N      -2.880252     -3.261244      2.405642
  C      -2.197909     -4.022420      1.354459
  C      -1.720202     -5.342835      1.907742
  N      -2.808356     -5.958336      2.704452
  C      -3.919725     -6.395467      1.798971
  C      -5.256583     -6.137678      2.458721
  N      -5.244480     -4.857776      3.168173
  Mo     -3.479680     -4.297588      4.114806
  N      -2.346127     -5.667848      5.357714
  C      -1.510408     -6.640834      4.657625
  C      -2.305088     -7.123290      3.471490
  H      -1.277312     -7.499372      5.306184
  H      -0.543106     -6.201889      4.350035
  H      -3.181059     -7.677629      3.832340
  H      -1.712016     -7.785181      2.817374
  H      -6.038473     -6.173301      1.689054
  H      -5.494751     -6.916873      3.204546
  H      -3.877252     -5.814772      0.876011
  H      -3.781707     -7.460960      1.557780
  H      -1.324517     -3.464448      0.978915
  H      -2.875054     -4.174452      0.497808
  H      -0.856368     -5.190548      2.568026
  H      -1.410509     -6.018459      1.090521
  C      -3.210824     -1.980587      2.069117
  C      -2.971796     -1.477514      0.760959
  C      -3.241588     -0.178551      0.361706
  C      -2.981217      0.153760     -1.061869
  O      -2.460038     -0.634201     -1.847750
  C      -3.792345      0.753077      1.307771
  C      -4.077261      2.173364      1.068120
  O      -3.838919      2.823012      0.056373
  C      -4.073062      0.281878      2.579343
  C      -3.827310     -1.047662      3.001175
  C      -4.242203     -1.384949      4.300539
  O      -4.166428     -2.564272      4.817010
  C      -6.331144     -4.029714      3.025961
  C      -6.854417     -3.367666      4.165328
  C      -8.013596     -2.600759      4.150536
  C      -8.365443     -2.014918      5.462506
  O      -9.274726     -1.236335      5.711579
  C      -8.752165     -2.443477      2.934077
  C     -10.021506     -1.702723      2.809840
  O     -10.641398     -1.603649      1.751483
  C      -8.209011     -3.026731      1.792801
  C      -7.016172     -3.767326      1.777324
  C      -6.470140     -3.979661      0.437286
  O      -5.347366     -4.385622      0.136224
  C      -2.071324     -5.447334      6.656121
  C      -0.852167     -5.872268      7.270924
  C      -0.524035     -5.544298      8.572778
  C       0.782944     -6.063260      9.086527
  O       1.733292     -6.289653      8.352885
  C      -1.440775     -4.819097      9.400457
  C      -1.117579     -4.350581     10.744527
  O      -0.002901     -4.373611     11.261105
  C      -2.687908     -4.508888      8.863010
  C      -3.018002     -4.786219      7.528605
  C      -4.374923     -4.654272      7.102763
  O      -4.772022     -4.795856      5.927003
  H      -2.577470     -2.127083     -0.017728
  H      -3.295527      1.164290     -1.388617
  H      -4.556973      2.669552      1.951278
  H      -4.516372      0.969420      3.306206
  H      -4.720590     -0.616380      4.921874
  H      -6.351362     -3.529325      5.115507
  H      -7.674222     -2.350541      6.278822
  H     -10.407674     -1.241482      3.740677
  H      -8.727660     -2.848854      0.845946
  H      -7.164101     -3.633073     -0.366604
  H      -0.109696     -6.428931      6.700588
  H       0.823928     -6.281891     10.172884
  H      -1.989105     -3.917391     11.295934
  H      -3.436611     -4.021965      9.495709
  H      -5.136809     -4.492314      7.890480
  N      -1.516188     -3.137028      4.810205
  H      -1.542351     -2.896002      5.806075
  H      -1.467344     -2.258023      4.288651
  H      -0.633156     -3.627531      4.648672
  N      -5.070091     -7.863683      5.677805
  N      -5.126850     -8.479317      6.591199
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969140970111
  N      -2.875778     -3.254729      2.399728
  C      -2.197460     -4.018768      1.346345
  C      -1.724271     -5.341777      1.899321
  N      -2.813945     -5.949793      2.699627
  C      -3.929755     -6.379241      1.798282
  C      -5.256271     -6.132692      2.478316
  N      -5.247565     -4.841426      3.169324
  Mo     -3.475983     -4.284472      4.109508
  N      -2.344835     -5.660507      5.349609
  C      -1.514693     -6.637315      4.647907
  C      -2.318533     -7.117585      3.467170
  H      -1.281697     -7.495921      5.296294
  H      -0.548629     -6.201718      4.332524
  H      -3.198528     -7.661461      3.834656
  H      -1.736661     -7.788392      2.812243
  H      -6.056639     -6.196757      1.730357
  H      -5.464574     -6.901746      3.244136
  H      -3.899639     -5.783743      0.884065
  H      -3.791071     -7.440464      1.538419
  H      -1.322941     -3.463437      0.969691
  H      -2.876242     -4.167649      0.489747
  H      -0.857409     -5.192986      2.556114
  H      -1.420656     -6.019202      1.082018
  C      -3.195598     -1.970357      2.062919
  C      -2.947565     -1.464685      0.757928
  C      -3.202407     -0.160808      0.363118
  C      -2.930996      0.178442     -1.055801
  O      -2.413313     -0.609031     -1.844729
  C      -3.748627      0.772180      1.310385
  C      -4.016340      2.197000      1.078124
  O      -3.766437      2.850329      0.071546
  C      -4.039183      0.298345      2.578558
  C      -3.806669     -1.034685      2.996855
  C      -4.227433     -1.372220      4.293846
  O      -4.160412     -2.552672      4.809097
  C      -6.342649     -4.026075      3.028033
  C      -6.865801     -3.355093      4.162202
  C      -8.041478     -2.613372      4.147922
  C      -8.395610     -2.022291      5.457147
  O      -9.322172     -1.265023      5.707806
  C      -8.795303     -2.488144      2.937121
  C     -10.079685     -1.773761      2.814334
  O     -10.703417     -1.689745      1.756792
  C      -8.250027     -3.074078      1.798509
  C      -7.042425     -3.789356      1.781456
  C      -6.496476     -3.994301      0.440213
  O      -5.370670     -4.388502      0.133961
  C      -2.070508     -5.442962      6.647983
  C      -0.852171     -5.870753      7.262218
  C      -0.525851     -5.546754      8.564639
  C       0.779625     -6.068184      9.079292
  O       1.736837     -6.277641      8.349884
  C      -1.442895     -4.822463      9.392359
  C      -1.119208     -4.357611     10.737741
  O      -0.007080     -4.396892     11.258770
  C      -2.688154     -4.509606      8.855478
  C      -3.017220     -4.782361      7.520863
  C      -4.374239     -4.650137      7.094293
  O      -4.769701     -4.787749      5.917030
  H      -2.554992     -2.113610     -0.022386
  H      -3.227425      1.197121     -1.375448
  H      -4.496003      2.692517      1.961523
  H      -4.479215      0.987219      3.306668
  H      -4.702741     -0.602387      4.915858
  H      -6.354525     -3.494976      5.110919
  H      -7.672263     -2.310296      6.263857
  H     -10.452675     -1.283145      3.735454
  H      -8.778547     -2.916222      0.853584
  H      -7.214946     -3.701854     -0.363859
  H      -0.109570     -6.426235      6.690761
  H       0.820479     -6.283564     10.166311
  H      -1.992437     -3.936598     11.295562
  H      -3.436330     -4.022970      9.488985
  H      -5.137321     -4.492475      7.881478
  N      -1.511012     -3.132816      4.802978
  H      -1.533126     -2.893488      5.799549
  H      -1.459060     -2.253378      4.282615
  H      -0.630526     -3.627047      4.639262
  N      -5.076526     -7.891878      5.748774
  N      -5.098840     -8.478438      6.682364
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969570128663
  N      -2.870058     -3.247897      2.392904
  C      -2.193098     -4.012565      1.337940
  C      -1.720497     -5.336662      1.889902
  N      -2.810020     -5.942635      2.691012
  C      -3.926733     -6.366252      1.789094
  C      -5.248593     -6.129752      2.480286
  N      -5.245355     -4.830679      3.159008
  Mo     -3.472702     -4.275862      4.098997
  N      -2.343503     -5.653306      5.340731
  C      -1.513471     -6.630973      4.640325
  C      -2.317347     -7.111557      3.458632
  H      -1.280300     -7.489405      5.288704
  H      -0.548363     -6.194562      4.323456
  H      -3.198417     -7.654432      3.825347
  H      -1.737610     -7.783972      2.803443
  H      -6.061519     -6.215059      1.747886
  H      -5.434551     -6.892318      3.258122
  H      -3.902491     -5.757358      0.883544
  H      -3.785902     -7.422851      1.511171
  H      -1.319178     -3.457638      0.960707
  H      -2.873058     -4.159824      0.482116
  H      -0.852657     -5.188787      2.545881
  H      -1.418555     -6.014847      1.072119
  C      -3.180188     -1.960182      2.058531
  C      -2.926853     -1.451986      0.755975
  C      -3.171374     -0.144804      0.364986
  C      -2.896701      0.198404     -1.051714
  O      -2.380789     -0.587834     -1.843352
  C      -3.712386      0.788423      1.314621
  C      -3.968494      2.216567      1.088669
  O      -3.706701      2.874167      0.087945
  C      -4.009709      0.311588      2.580016
  C      -3.787273     -1.024231      2.994718
  C      -4.215408     -1.363304      4.289018
  O      -4.157379     -2.545999      4.800718
  C      -6.347767     -4.026682      3.022478
  C      -6.851560     -3.334288      4.153084
  C      -8.035494     -2.606312      4.149035
  C      -8.368591     -1.992836      5.454015
  O      -9.310545     -1.258554      5.714782
  C      -8.817954     -2.515228      2.953251
  C     -10.110017     -1.813268      2.842379
  O     -10.770703     -1.781597      1.804557
  C      -8.291358     -3.120627      1.815419
  C      -7.077062     -3.824616      1.787229
  C      -6.559503     -4.052991      0.438649
  O      -5.433053     -4.430810      0.114335
  C      -2.076667     -5.439840      6.641952
  C      -0.860712     -5.867524      7.260428
  C      -0.540342     -5.546437      8.565870
  C       0.764145     -6.066438      9.084645
  O       1.720794     -6.283369      8.356528
  C      -1.462187     -4.825896      9.391182
  C      -1.145856     -4.364216     10.739557
  O      -0.034308     -4.393979     11.262359
  C      -2.706180     -4.512871      8.848616
  C      -3.028850     -4.782424      7.510880
  C      -4.384748     -4.650195      7.078531
  O      -4.774742     -4.784656      5.899506
  H      -2.539207     -2.100495     -0.026887
  H      -3.188820      1.219177     -1.367776
  H      -4.450354      2.710441      1.971853
  H      -4.446885      1.000477      3.309359
  H      -4.690054     -0.593908      4.912391
  H      -6.318005     -3.445424      5.093600
  H      -7.622325     -2.252777      6.249334
  H     -10.471266     -1.311936      3.762424
  H      -8.841726     -2.988929      0.879012
  H      -7.299462     -3.786408     -0.354783
  H      -0.114404     -6.419316      6.690261
  H       0.794699     -6.301824     10.167921
  H      -2.020609     -3.937206     11.290507
  H      -3.457584     -4.028162      9.479831
  H      -5.151737     -4.497811      7.862903
  N      -1.506676     -3.127199      4.796002
  H      -1.526973     -2.890629      5.792736
  H      -1.453465     -2.246081      4.277764
  H      -0.626932     -3.622595      4.630470
  N      -5.074918     -7.930594      5.795863
  N      -5.065437     -8.492078      6.744585
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969638849434
  N      -2.870945     -3.242683      2.389345
  C      -2.199129     -4.006458      1.329696
  C      -1.725324     -5.332228      1.876873
  N      -2.810066     -5.939110      2.684011
  C      -3.931503     -6.360890      1.786954
  C      -5.247106     -6.132336      2.490446
  N      -5.247851     -4.823714      3.153137
  Mo     -3.472956     -4.271754      4.091019
  N      -2.340369     -5.648179      5.332855
  C      -1.509255     -6.624094      4.631413
  C      -2.312106     -7.107460      3.449022
  H      -1.273008     -7.481922      5.279370
  H      -0.545896     -6.184989      4.312992
  H      -3.190071     -7.656736      3.813878
  H      -1.730044     -7.775645      2.791517
  H      -6.073503     -6.238525      1.775698
  H      -5.409031     -6.888680      3.280027
  H      -3.915286     -5.742260      0.887773
  H      -3.790426     -7.413438      1.493777
  H      -1.326492     -3.451966      0.950248
  H      -2.883118     -4.149539      0.476661
  H      -0.853783     -5.185810      2.528597
  H      -1.428517     -6.010582      1.056849
  C      -3.170272     -1.950275      2.061857
  C      -2.914561     -1.437963      0.761668
  C      -3.149525     -0.126835      0.377047
  C      -2.873309      0.222018     -1.037537
  O      -2.375605     -0.568119     -1.837225
  C      -3.683678      0.804854      1.331646
  C      -3.930814      2.236254      1.114155
  O      -3.659482      2.899567      0.119829
  C      -3.985135      0.323180      2.594260
  C      -3.771416     -1.015886      3.002442
  C      -4.205296     -1.358605      4.294586
  O      -4.155679     -2.544278      4.799973
  C      -6.356575     -4.031057      3.015331
  C      -6.842249     -3.306902      4.134388
  C      -8.030216     -2.585844      4.131211
  C      -8.344263     -1.938879      5.425138
  O      -9.299195     -1.222925      5.688992
  C      -8.835741     -2.533841      2.948461
  C     -10.131315     -1.838322      2.839794
  O     -10.810118     -1.839025      1.813237
  C      -8.327714     -3.171723      1.819209
  C      -7.111297     -3.872321      1.789717
  C      -6.621835     -4.146894      0.439287
  O      -5.488869     -4.493642      0.103311
  C      -2.079110     -5.440195      6.636356
  C      -0.864159     -5.867983      7.257023
  C      -0.547982     -5.551886      8.565323
  C       0.755754     -6.071817      9.086406
  O       1.724651     -6.257630      8.365811
  C      -1.473577     -4.836303      9.390506
  C      -1.162336     -4.379621     10.741899
  O      -0.053480     -4.414173     11.269908
  C      -2.716827     -4.522492      8.844503
  C      -3.035400     -4.787527      7.503966
  C      -4.390905     -4.653070      7.069243
  O      -4.780315     -4.784182      5.890163
  H      -2.534199     -2.084798     -0.025994
  H      -3.173478      1.240660     -1.351692
  H      -4.411638      2.727118      1.999634
  H      -4.419421      1.010300      3.326574
  H      -4.678093     -0.590851      4.921581
  H      -6.290862     -3.385420      5.068072
  H      -7.582852     -2.173158      6.214012
  H     -10.467092     -1.291724      3.743566
  H      -8.896521     -3.072135      0.889898
  H      -7.367189     -3.875284     -0.347182
  H      -0.114931     -6.415459      6.686532
  H       0.789706     -6.291782     10.172949
  H      -2.040576     -3.959876     11.293047
  H      -3.470695     -4.040668      9.475094
  H      -5.158322     -4.501771      7.853543
  N      -1.503262     -3.123796      4.789972
  H      -1.519897     -2.890764      5.787319
  H      -1.450988     -2.240588      4.274690
  H      -0.624035     -3.618729      4.619580
  N      -5.058230     -7.967484      5.848826
  N      -5.006426     -8.497770      6.814034
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.968270013822
  N      -2.861133     -3.226698      2.369077
  C      -2.198983     -4.000046      1.307111
  C      -1.727037     -5.325909      1.857458
  N      -2.809956     -5.928583      2.669978
  C      -3.939857     -6.363131      1.788637
  C      -5.244260     -6.137862      2.514501
  N      -5.241797     -4.824794      3.159461
  Mo     -3.467652     -4.255241      4.062017
  N      -2.351581     -5.633764      5.320225
  C      -1.518196     -6.611622      4.624080
  C      -2.314111     -7.095645      3.440080
  H      -1.287630     -7.468705      5.275271
  H      -0.553797     -6.171728      4.311017
  H      -3.197798     -7.645809      3.800830
  H      -1.724351     -7.760286      2.786024
  H      -6.085205     -6.259800      1.819126
  H      -5.375475     -6.889389      3.317813
  H      -3.936103     -5.761227      0.882053
  H      -3.798718     -7.416970      1.515774
  H      -1.321791     -3.451500      0.926024
  H      -2.887171     -4.139676      0.457288
  H      -0.853124     -5.177424      2.506108
  H      -1.434554     -6.007187      1.038407
  C      -3.152939     -1.931881      2.040152
  C      -2.879544     -1.412485      0.746045
  C      -3.104691     -0.098379      0.369466
  C      -2.774889      0.276031     -1.028157
  O      -2.246716     -0.499446     -1.821903
  C      -3.655761      0.826140      1.319397
  C      -3.910376      2.253566      1.108305
  O      -3.658981      2.916233      0.112159
  C      -3.964567      0.340311      2.579456
  C      -3.752737     -0.997235      2.983355
  C      -4.186383     -1.342065      4.274016
  O      -4.139595     -2.529625      4.774867
  C      -6.368966     -4.046632      3.029820
  C      -6.847948     -3.318754      4.146674
  C      -8.044186     -2.606810      4.148338
  C      -8.351267     -1.953208      5.440562
  O      -9.316298     -1.246899      5.707940
  C      -8.865981     -2.573811      2.972797
  C     -10.166995     -1.884285      2.869382
  O     -10.859718     -1.902210      1.850033
  C      -8.368479     -3.221258      1.845218
  C      -7.139396     -3.905192      1.809539
  C      -6.660566     -4.185727      0.455930
  O      -5.540765     -4.554200      0.115852
  C      -2.093163     -5.429377      6.623165
  C      -0.880840     -5.863169      7.246227
  C      -0.566218     -5.553307      8.556069
  C       0.731578     -6.083996      9.078393
  O       1.686686     -6.302429      8.353597
  C      -1.491993     -4.837277      9.381449
  C      -1.183338     -4.390748     10.736690
  O      -0.076895     -4.438821     11.268687
  C      -2.733682     -4.520025      8.835636
  C      -3.049892     -4.777082      7.492726
  C      -4.403955     -4.637535      7.057369
  O      -4.788428     -4.761771      5.876140
  H      -2.482705     -2.047480     -0.041232
  H      -3.036839      1.312193     -1.324927
  H      -4.382830      2.738685      2.002954
  H      -4.400095      1.024315      3.313970
  H      -4.655644     -0.573562      4.903203
  H      -6.279128     -3.377617      5.075686
  H      -7.572174     -2.169805      6.224565
  H     -10.514129     -1.353412      3.776176
  H      -8.952701     -3.138712      0.920603
  H      -7.431468     -3.959663     -0.327207
  H      -0.130513     -6.411098      6.677168
  H       0.757039     -6.318536     10.161976
  H      -2.059847     -3.969176     11.287726
  H      -3.487484     -4.040769      9.467747
  H      -5.173562     -4.482882      7.840920
  N      -1.480613     -3.122518      4.766974
  H      -1.495576     -2.892939      5.764806
  H      -1.425393     -2.236272      4.253899
  H      -0.600452     -3.619595      4.601091
  N      -5.047190     -7.962216      5.898277
  N      -4.973164     -8.429903      6.919974
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.968184665944
  N      -2.879482     -3.246852      2.365117
  C      -2.218755     -4.016387      1.303107
  C      -1.749865     -5.343257      1.847778
  N      -2.827259     -5.949800      2.669444
  C      -3.956842     -6.377227      1.787620
  C      -5.261312     -6.145600      2.500648
  N      -5.269502     -4.825500      3.137417
  Mo     -3.487077     -4.273055      4.065737
  N      -2.348495     -5.638241      5.313224
  C      -1.515116     -6.615493      4.613408
  C      -2.316969     -7.111879      3.436390
  H      -1.274063     -7.466873      5.268311
  H      -0.549899     -6.180694      4.292082
  H      -3.185299     -7.670812      3.808633
  H      -1.728938     -7.773970      2.778161
  H      -6.099224     -6.272785      1.807983
  H      -5.394835     -6.896285      3.303280
  H      -3.948883     -5.767224      0.886204
  H      -3.820912     -7.428453      1.498164
  H      -1.341507     -3.470322      0.920564
  H      -2.907541     -4.152985      0.451076
  H      -0.872062     -5.200316      2.491637
  H      -1.464774     -6.024029      1.027808
  C      -3.147388     -1.941143      2.052749
  C      -2.841309     -1.407383      0.767434
  C      -3.028912     -0.081365      0.406837
  C      -2.670238      0.303187     -0.986614
  O      -2.103372     -0.455995     -1.769186
  C      -3.576342      0.838626      1.364823
  C      -3.789225      2.277848      1.166615
  O      -3.480475      2.946323      0.187421
  C      -3.919887      0.339246      2.611800
  C      -3.738569     -1.008155      3.000065
  C      -4.193950     -1.357985      4.287122
  O      -4.156387     -2.546098      4.782348
  C      -6.400333     -4.056369      3.012573
  C      -6.895989     -3.350377      4.135180
  C      -8.094758     -2.646901      4.150564
  C      -8.410961     -2.018972      5.450547
  O      -9.346833     -1.301433      5.734156
  C      -8.906051     -2.597681      2.981880
  C     -10.200958     -1.904949      2.888663
  O     -10.909374     -1.935456      1.883088
  C      -8.410291     -3.237778      1.849333
  C      -7.184350     -3.918036      1.799869
  C      -6.720451     -4.186923      0.437018
  O      -5.620360     -4.587365      0.083276
  C      -2.086535     -5.421091      6.612349
  C      -0.866067     -5.832099      7.231275
  C      -0.549738     -5.498083      8.532789
  C       0.760078     -5.997495      9.049500
  O       1.702112     -6.241670      8.317579
  C      -1.481296     -4.782180      9.356650
  C      -1.171574     -4.305595     10.701824
  O      -0.061621     -4.314204     11.220180
  C      -2.727292     -4.488787      8.816458
  C      -3.046452     -4.770769      7.481790
  C      -4.401201     -4.641279      7.052549
  O      -4.796536     -4.778169      5.876528
  H      -2.445436     -2.042573     -0.024025
  H      -2.897798      1.354808     -1.275202
  H      -4.286916      2.759431      2.047135
  H      -4.359570      1.020208      3.348922
  H      -4.658207     -0.591356      4.919450
  H      -6.345764     -3.433635      5.058810
  H      -7.633616     -2.232198      6.218296
  H     -10.543214     -1.370692      3.796268
  H      -8.996670     -3.151291      0.931049
  H      -7.529261     -4.022067     -0.332315
  H      -0.112561     -6.376671      6.660684
  H       0.776362     -6.248837     10.124091
  H      -2.050324     -3.883553     11.251989
  H      -3.482853     -4.007404      9.446436
  H      -5.160849     -4.474539      7.842348
  N      -1.509163     -3.123909      4.764693
  H      -1.523570     -2.893019      5.763262
  H      -1.458878     -2.239442      4.252260
  H      -0.630186     -3.616566      4.590091
  N      -5.044449     -7.982937      5.901024
  N      -4.978218     -8.466482      6.882010
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.966855788729
  N      -2.860414     -3.234343      2.371981
  C      -2.200904     -4.002417      1.308761
  C      -1.734419     -5.330612      1.852550
  N      -2.815260     -5.930388      2.670973
  C      -3.941295     -6.350514      1.781954
  C      -5.251764     -6.121032      2.494378
  N      -5.254798     -4.803507      3.141080
  Mo     -3.473415     -4.255806      4.071110
  N      -2.344480     -5.629508      5.321255
  C      -1.511475     -6.605230      4.620814
  C      -2.309836     -7.095964      3.436570
  H      -1.273258     -7.460578      5.270742
  H      -0.547483     -6.165318      4.303442
  H      -3.181536     -7.652780      3.798814
  H      -1.720728     -7.758194      2.779781
  H      -6.089241     -6.245018      1.794887
  H      -5.394795     -6.872858      3.293895
  H      -3.930605     -5.731014      0.880894
  H      -3.802062     -7.403555      1.484255
  H      -1.324502     -3.455868      0.925164
  H      -2.890607     -4.138049      0.458093
  H      -0.857555     -5.188529      2.497926
  H      -1.448515     -6.012791      1.032805
  C      -3.135134     -1.935092      2.050575
  C      -2.847396     -1.418469      0.757267
  C      -3.057723     -0.099946      0.374493
  C      -2.736262      0.253877     -1.030448
  O      -2.212710     -0.534346     -1.816811
  C      -3.602637      0.831057      1.324795
  C      -3.841240      2.266866      1.107453
  O      -3.563448      2.932686      0.114919
  C      -3.928019      0.346411      2.580725
  C      -3.733085     -0.997924      2.987320
  C      -4.181388     -1.339114      4.279186
  O      -4.144269     -2.525922      4.781719
  C      -6.378722     -4.029137      3.018544
  C      -6.858026     -3.305229      4.140327
  C      -8.072361     -2.620654      4.156299
  C      -8.384069     -1.985376      5.456871
  O      -9.397588     -1.317519      5.735698
  C      -8.911707     -2.606306      2.988999
  C     -10.233442     -1.948115      2.897863
  O     -10.942362     -1.982491      1.883887
  C      -8.408913     -3.239553      1.855933
  C      -7.170799     -3.904114      1.806613
  C      -6.700131     -4.169247      0.445182
  O      -5.554385     -4.489238      0.083926
  C      -2.085615     -5.421159      6.625047
  C      -0.872754     -5.855405      7.252792
  C      -0.560452     -5.545119      8.561748
  C       0.740398     -6.086264      9.095132
  O       1.718107     -6.306274      8.384141
  C      -1.486895     -4.824476      9.381608
  C      -1.178747     -4.376088     10.736257
  O      -0.063779     -4.421979     11.272218
  C      -2.725879     -4.504062      8.829631
  C      -3.041736     -4.766864      7.489970
  C      -4.396797     -4.627540      7.051963
  O      -4.786332     -4.758489      5.873566
  H      -2.457853     -2.066661     -0.026630
  H      -3.011934      1.277025     -1.344782
  H      -4.326512      2.759335      1.989610
  H      -4.366066      1.036218      3.310289
  H      -4.649835     -0.568136      4.906951
  H      -6.281962     -3.362029      5.065696
  H      -7.555079     -2.159622      6.226761
  H     -10.554706     -1.394791      3.802430
  H      -9.001412     -3.163739      0.938280
  H      -7.476999     -3.953949     -0.319996
  H      -0.122887     -6.407804      6.687428
  H       0.768375     -6.321659     10.187007
  H      -2.054326     -3.941564     11.275496
  H      -3.481263     -4.021164      9.456503
  H      -5.163470     -4.470214      7.835587
  N      -1.498678     -3.113213      4.774831
  H      -1.515315     -2.881232      5.774368
  H      -1.443025     -2.230055      4.262827
  H      -0.620949     -3.608109      4.600537
  N      -5.046049     -7.967348      5.888594
  N      -5.007446     -8.464118      6.848777
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.965855736586
  N      -2.888794     -3.241617      2.377922
  C      -2.225107     -4.005422      1.312605
  C      -1.739381     -5.329110      1.855438
  N      -2.811604     -5.941409      2.670888
  C      -3.934625     -6.377600      1.781946
  C      -5.246700     -6.163731      2.504591
  N      -5.253492     -4.842107      3.142824
  Mo     -3.481491     -4.275785      4.073784
  N      -2.343869     -5.640653      5.321976
  C      -1.504234     -6.609860      4.621711
  C      -2.300135     -7.100224      3.437530
  H      -1.262730     -7.465406      5.270658
  H      -0.544253     -6.163020      4.303150
  H      -3.171017     -7.658828      3.799789
  H      -1.710365     -7.759435      2.780270
  H      -6.086528     -6.299701      1.806538
  H      -5.379828     -6.908439      3.310042
  H      -3.933255     -5.755811      0.878665
  H      -3.783978     -7.432761      1.488269
  H      -1.357425     -3.450739      0.925289
  H      -2.915794     -4.151411      0.465508
  H      -0.863236     -5.177094      2.500044
  H      -1.445569     -6.006012      1.031812
  C      -3.178169     -1.944395      2.060659
  C      -2.914941     -1.427030      0.766997
  C      -3.150690     -0.112679      0.386289
  C      -2.853100      0.239555     -1.019339
  O      -2.342658     -0.554390     -1.811983
  C      -3.700051      0.816368      1.340821
  C      -3.965305      2.251137      1.128986
  O      -3.708180      2.931258      0.138299
  C      -4.002513      0.330421      2.599302
  C      -3.782291     -1.012184      3.004187
  C      -4.217681     -1.358700      4.293126
  O      -4.169679     -2.549169      4.792889
  C      -6.364421     -4.059578      3.011577
  C      -6.821382     -3.302402      4.128017
  C      -7.989011     -2.566880      4.127122
  C      -8.267298     -1.884146      5.415918
  O      -9.192499     -1.156404      5.675043
  C      -8.805033     -2.530806      2.950018
  C     -10.072787     -1.805473      2.837749
  O     -10.726743     -1.802618      1.813752
  C      -8.324261     -3.203030      1.825382
  C      -7.127026     -3.920723      1.794561
  C      -6.652938     -4.218806      0.444120
  O      -5.509649     -4.545530      0.099108
  C      -2.087971     -5.436359      6.629415
  C      -0.877436     -5.856680      7.254777
  C      -0.568085     -5.549920      8.568327
  C       0.730548     -6.067284      9.096997
  O       1.719429     -6.235168      8.386469
  C      -1.493998     -4.851337      9.392663
  C      -1.188507     -4.408119     10.748896
  O      -0.086025     -4.445405     11.284514
  C      -2.732961     -4.539992      8.839559
  C      -3.046125     -4.796533      7.494110
  C      -4.401639     -4.664356      7.054436
  O      -4.789732     -4.794223      5.875447
  H      -2.527108     -2.072351     -0.019196
  H      -3.169700      1.238536     -1.336159
  H      -4.452200      2.738061      2.018329
  H      -4.445267      1.014435      3.329679
  H      -4.695406     -0.589948      4.921066
  H      -6.250881     -3.357371      5.059979
  H      -7.529363     -2.113286      6.199186
  H     -10.385405     -1.221271      3.732952
  H      -8.893398     -3.110419      0.899878
  H      -7.377110     -3.935040     -0.327135
  H      -0.125448     -6.392052      6.687549
  H       0.772037     -6.282851     10.193242
  H      -2.066469     -4.001567     11.298829
  H      -3.489591     -4.068575      9.468402
  H      -5.170871     -4.518048      7.835280
  N      -1.513809     -3.115907      4.778754
  H      -1.528044     -2.885692      5.776395
  H      -1.467208     -2.230380      4.268360
  H      -0.632314     -3.604159      4.601376
  N      -5.028559     -8.000590      5.893219
  N      -4.942306     -8.481085      6.898654
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.967697354311
  N      -2.872114     -3.238811      2.368795
  C      -2.216622     -4.012217      1.306713
  C      -1.749814     -5.341293      1.852567
  N      -2.829066     -5.942862      2.670063
  C      -3.963710     -6.369242      1.787973
  C      -5.263792     -6.140135      2.513753
  N      -5.265109     -4.819636      3.145271
  Mo     -3.482287     -4.266780      4.069521
  N      -2.352042     -5.644207      5.314438
  C      -1.523092     -6.622572      4.615099
  C      -2.328508     -7.107140      3.437726
  H      -1.287277     -7.477357      5.268148
  H      -0.557253     -6.190629      4.295636
  H      -3.205318     -7.657767      3.806644
  H      -1.743822     -7.774311      2.781989
  H      -6.103698     -6.268560      1.819991
  H      -5.394457     -6.884212      3.320785
  H      -3.962353     -5.752909      0.887427
  H      -3.828285     -7.422532      1.499435
  H      -1.338395     -3.471548      0.924618
  H      -2.904643     -4.147476      0.455560
  H      -0.871669     -5.200308      2.496267
  H      -1.466132     -6.022257      1.030842
  C      -3.137749     -1.931947      2.057943
  C      -2.851428     -1.400002      0.771774
  C      -3.043510     -0.076772      0.412372
  C      -2.712521      0.304012     -0.982296
  O      -2.179220     -0.464048     -1.777809
  C      -3.576255      0.846390      1.371863
  C      -3.789839      2.282979      1.174195
  O      -3.492405      2.953231      0.193152
  C      -3.909122      0.348700      2.620901
  C      -3.727459     -0.998414      3.007727
  C      -4.177528     -1.348839      4.290245
  O      -4.148383     -2.538209      4.786763
  C      -6.389630     -4.048013      3.014592
  C      -6.871536     -3.313775      4.128791
  C      -8.078954     -2.619463      4.131452
  C      -8.394072     -1.970778      5.422320
  O      -9.361081     -1.272967      5.692286
  C      -8.907682     -2.606370      2.959814
  C     -10.229243     -1.945762      2.857811
  O     -10.953507     -2.010903      1.843658
  C      -8.405281     -3.254981      1.834590
  C      -7.171591     -3.928195      1.798447
  C      -6.700545     -4.220382      0.446511
  O      -5.579440     -4.579972      0.104665
  C      -2.087291     -5.433515      6.614939
  C      -0.866906     -5.856329      7.231802
  C      -0.546811     -5.526967      8.534689
  C       0.761529     -6.024921      9.043218
  O       1.696329     -6.221707      8.301649
  C      -1.474841     -4.806105      9.362266
  C      -1.163232     -4.324918     10.705940
  O      -0.064395     -4.339537     11.225835
  C      -2.722293     -4.501998      8.822770
  C      -3.043050     -4.777248      7.486078
  C      -4.398613     -4.639915      7.056154
  O      -4.794880     -4.772913      5.878319
  H      -2.469944     -2.035393     -0.021348
  H      -2.965864      1.344527     -1.273652
  H      -4.272119      2.766749      2.060444
  H      -4.339138      1.028686      3.358948
  H      -4.638393     -0.580098      4.919508
  H      -6.309799     -3.373296      5.055104
  H      -7.611676     -2.171547      6.199824
  H     -10.559626     -1.391991      3.760582
  H      -8.996321     -3.186810      0.912146
  H      -7.486880     -4.023417     -0.337945
  H      -0.116308     -6.405220      6.658160
  H       0.790567     -6.243402     10.113909
  H      -2.051985     -3.903276     11.263578
  H      -3.477142     -4.012826      9.453915
  H      -5.160517     -4.477745      7.846006
  N      -1.498041     -3.124798      4.767938
  H      -1.511802     -2.897737      5.765704
  H      -1.445505     -2.238817      4.256775
  H      -0.621107     -3.620915      4.592610
  N      -5.052612     -7.980414      5.904468
  N      -4.966528     -8.454262      6.916737
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.964840904121
  N      -2.851916     -3.227469      2.367617
  C      -2.195529     -4.001251      1.305358
  C      -1.726716     -5.326041      1.854687
  N      -2.809667     -5.923998      2.675760
  C      -3.937890     -6.350525      1.795358
  C      -5.241571     -6.119345      2.513290
  N      -5.249151     -4.800082      3.152488
  Mo     -3.465756     -4.245306      4.066866
  N      -2.336382     -5.614698      5.321794
  C      -1.502011     -6.590411      4.624319
  C      -2.301455     -7.088132      3.447034
  H      -1.262295     -7.442827      5.277257
  H      -0.541263     -6.146500      4.305075
  H      -3.179049     -7.644460      3.811301
  H      -1.708321     -7.752420      2.794170
  H      -6.081446     -6.252749      1.824225
  H      -5.368248     -6.866381      3.320999
  H      -3.930781     -5.748553      0.893038
  H      -3.799962     -7.401216      1.511404
  H      -1.316556     -3.455687      0.915069
  H      -2.887870     -4.140773      0.458588
  H      -0.849939     -5.181321      2.500267
  H      -1.440365     -6.009884      1.037010
  C      -3.130197     -1.930141      2.044076
  C      -2.858368     -1.418153      0.745642
  C      -3.078301     -0.103675      0.362197
  C      -2.775446      0.253900     -1.044660
  O      -2.250425     -0.522103     -1.835521
  C      -3.614125      0.826528      1.311272
  C      -3.857178      2.255354      1.089141
  O      -3.591686      2.904578      0.089524
  C      -3.927921      0.346517      2.570891
  C      -3.727588     -0.994257      2.978871
  C      -4.171987     -1.334042      4.271288
  O      -4.133382     -2.518930      4.775243
  C      -6.382107     -4.031324      3.026466
  C      -6.884924     -3.325308      4.140479
  C      -8.102059     -2.639681      4.151643
  C      -8.443551     -2.025960      5.449034
  O      -9.440936     -1.348034      5.737384
  C      -8.903793     -2.590299      2.983105
  C     -10.207076     -1.905966      2.887437
  O     -10.873244     -1.882595      1.884300
  C      -8.383048     -3.207047      1.853343
  C      -7.154952     -3.885851      1.808611
  C      -6.671196     -4.148860      0.451276
  O      -5.560005     -4.522707      0.105023
  C      -2.079729     -5.408142      6.622228
  C      -0.867142     -5.856625      7.250376
  C      -0.558868     -5.561772      8.562230
  C       0.736959     -6.129541      9.095809
  O       1.697432     -6.366112      8.379428
  C      -1.490058     -4.832555      9.384247
  C      -1.187656     -4.406867     10.749526
  O      -0.056891     -4.483120     11.294762
  C      -2.726303     -4.492871      8.830054
  C      -3.039515     -4.749207      7.490478
  C      -4.391690     -4.609817      7.054427
  O      -4.781045     -4.745325      5.875024
  H      -2.478114     -2.065646     -0.040652
  H      -3.047901      1.294888     -1.351288
  H      -4.331786      2.747308      1.972182
  H      -4.364541      1.036872      3.302011
  H      -4.640429     -0.563905      4.896093
  H      -6.336029     -3.399900      5.061709
  H      -7.640384     -2.220083      6.215442
  H     -10.580435     -1.416210      3.785580
  H      -8.956905     -3.111575      0.932242
  H      -7.454406     -3.942529     -0.333237
  H      -0.115808     -6.417821      6.683181
  H       0.747405     -6.399142     10.175914
  H      -2.055597     -3.952826     11.278171
  H      -3.483199     -4.009857      9.458990
  H      -5.158836     -4.449772      7.838999
  N      -1.484875     -3.106960      4.765613
  H      -1.498493     -2.872842      5.765283
  H      -1.429819     -2.223408      4.250933
  H      -0.606583     -3.601878      4.589611
  N      -5.024870     -7.955545      5.923810
  N      -4.968892     -8.426447      6.899887
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.966912170142
  N      -2.874403     -3.233338      2.367011
  C      -2.216910     -3.999794      1.300871
  C      -1.739027     -5.324479      1.842828
  N      -2.812021     -5.933736      2.666580
  C      -3.937743     -6.367212      1.786883
  C      -5.246535     -6.148714      2.508644
  N      -5.258132     -4.824432      3.141549
  Mo     -3.476329     -4.261323      4.065232
  N      -2.340502     -5.623551      5.316893
  C      -1.498771     -6.593072      4.613765
  C      -2.296379     -7.094417      3.434083
  H      -1.250645     -7.445920      5.264062
  H      -0.539671     -6.144735      4.290885
  H      -3.164191     -7.656334      3.803444
  H      -1.704989     -7.754811      2.775605
  H      -6.087562     -6.289872      1.818055
  H      -5.371787     -6.896125      3.316669
  H      -3.937827     -5.755618      0.883342
  H      -3.791275     -7.420279      1.498928
  H      -1.344482     -3.448848      0.909018
  H      -2.912092     -4.142016      0.454849
  H      -0.861305     -5.175272      2.486056
  H      -1.450042     -6.002913      1.021549
  C      -3.151108     -1.932088      2.052706
  C      -2.864643     -1.409242      0.760361
  C      -3.074042     -0.087293      0.386626
  C      -2.750650      0.275885     -1.017852
  O      -2.221225     -0.505155     -1.807724
  C      -3.618355      0.838891      1.345195
  C      -3.853865      2.277812      1.138892
  O      -3.572402      2.948342      0.151434
  C      -3.943216      0.348504      2.598433
  C      -3.747109     -0.998169      2.996182
  C      -4.194981     -1.345444      4.286342
  O      -4.153550     -2.534978      4.783205
  C      -6.387328     -4.054664      3.013153
  C      -6.849212     -3.297715      4.125038
  C      -8.041673     -2.589645      4.133793
  C      -8.307703     -1.895401      5.419809
  O      -9.241306     -1.174965      5.678068
  C      -8.891081     -2.594239      2.971626
  C     -10.193305     -1.912118      2.875410
  O     -10.923809     -1.982288      1.862844
  C      -8.416751     -3.269134      1.848215
  C      -7.187475     -3.946534      1.803418
  C      -6.736391     -4.239302      0.441802
  O      -5.604972     -4.582500      0.078586
  C      -2.085894     -5.414947      6.621418
  C      -0.875399     -5.835436      7.249080
  C      -0.569814     -5.533925      8.562511
  C       0.728264     -6.067790      9.098287
  O       1.721692     -6.278094      8.395546
  C      -1.499967     -4.838743      9.386255
  C      -1.201540     -4.411616     10.748117
  O      -0.097290     -4.446201     11.290601
  C      -2.734309     -4.526118      8.831774
  C      -3.045521     -4.775925      7.487003
  C      -4.398529     -4.645473      7.046708
  O      -4.784451     -4.776040      5.867566
  H      -2.475366     -2.055240     -0.028244
  H      -3.028114      1.304227     -1.328382
  H      -4.343344      2.764644      2.023746
  H      -4.382019      1.035410      3.332647
  H      -4.667269     -0.577018      4.917190
  H      -6.263358     -3.332398      5.049216
  H      -7.502715     -2.068166      6.199369
  H     -10.492381     -1.317513      3.778626
  H      -9.016692     -3.207067      0.931282
  H      -7.524957     -4.043037     -0.321944
  H      -0.122492     -6.370624      6.682497
  H       0.759895     -6.322899     10.197929
  H      -2.075315     -4.015987     11.290313
  H      -3.491653     -4.063836      9.460677
  H      -5.166783     -4.497547      7.828697
  N      -1.503927     -3.109001      4.767446
  H      -1.518063     -2.878002      5.767062
  H      -1.454759     -2.223432      4.256999
  H      -0.623236     -3.599150      4.589508
  N      -5.019912     -7.987907      5.910650
  N      -4.968645     -8.464214      6.885590
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.963795767999
  N      -2.875234     -3.243247      2.362857
  C      -2.219189     -4.014223      1.299524
  C      -1.748497     -5.342732      1.843427
  N      -2.825294     -5.948623      2.657776
  C      -3.957239     -6.378761      1.770627
  C      -5.261246     -6.153105      2.495495
  N      -5.262840     -4.834726      3.131177
  Mo     -3.484492     -4.277407      4.057358
  N      -2.354045     -5.650326      5.306987
  C      -1.519982     -6.624065      4.607208
  C      -2.321820     -7.109139      3.426413
  H      -1.282058     -7.479297      5.258977
  H      -0.556440     -6.187362      4.286941
  H      -3.195425     -7.663764      3.791922
  H      -1.733247     -7.771254      2.770874
  H      -6.099939     -6.281230      1.797651
  H      -5.393224     -6.897564      3.298884
  H      -3.953599     -5.758887      0.864208
  H      -3.819855     -7.436600      1.480760
  H      -1.345200     -3.473251      0.916365
  H      -2.908682     -4.151226      0.449217
  H      -0.872108     -5.200101      2.489087
  H      -1.460972     -6.021207      1.019442
  C      -3.144696     -1.937297      2.051870
  C      -2.853916     -1.408858      0.766316
  C      -3.052544     -0.087884      0.400375
  C      -2.715738      0.279060     -0.998140
  O      -2.178923     -0.504604     -1.784061
  C      -3.596933      0.839698      1.358672
  C      -3.821172      2.279979      1.161248
  O      -3.528026      2.965581      0.182510
  C      -3.931066      0.343850      2.609339
  C      -3.742969     -1.003818      3.000360
  C      -4.195595     -1.355825      4.281643
  O      -4.159641     -2.547490      4.778005
  C      -6.379958     -4.058814      3.016065
  C      -6.851626     -3.337070      4.144994
  C      -8.046394     -2.633117      4.165904
  C      -8.357753     -2.008882      5.469665
  O      -9.339964     -1.321718      5.757729
  C      -8.870298     -2.587485      2.997008
  C     -10.166859     -1.895457      2.906038
  O     -10.851209     -1.900380      1.888786
  C      -8.376928     -3.227869      1.859628
  C      -7.156321     -3.917483      1.810259
  C      -6.685820     -4.195629      0.453261
  O      -5.555376     -4.545643      0.099202
  C      -2.095165     -5.439323      6.612379
  C      -0.881253     -5.850445      7.236159
  C      -0.569547     -5.511673      8.540446
  C       0.731321     -5.993789      9.058675
  O       1.684323     -6.187108      8.328357
  C      -1.497720     -4.798679      9.360722
  C      -1.195841     -4.308774     10.699771
  O      -0.129593     -4.307133     11.221511
  C      -2.740315     -4.508817      8.815526
  C      -3.053856     -4.786590      7.474842
  C      -4.408919     -4.653000      7.040652
  O      -4.801337     -4.786573      5.864212
  H      -2.465575     -2.048269     -0.023355
  H      -2.977483      1.299360     -1.301714
  H      -4.310769      2.764172      2.051114
  H      -4.368861      1.023079      3.342693
  H      -4.664867     -0.587178      4.909630
  H      -6.283085     -3.412778      5.069548
  H      -7.575127     -2.225488      6.231164
  H     -10.498931     -1.353923      3.813936
  H      -8.961056     -3.136517      0.941200
  H      -7.450101     -3.961514     -0.317601
  H      -0.127671     -6.389874      6.669695
  H       0.757644     -6.196096     10.135180
  H      -2.102943     -3.889627     11.259963
  H      -3.498138     -4.022255      9.441689
  H      -5.172434     -4.490824      7.826637
  N      -1.506789     -3.129003      4.768564
  H      -1.523423     -2.904467      5.765211
  H      -1.455251     -2.241463      4.260721
  H      -0.628046     -3.621680      4.593387
  N      -5.036339     -7.998764      5.891498
  N      -4.945137     -8.457057      6.925837
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.965971512263
  N      -2.871541     -3.230944      2.365409
  C      -2.219706     -4.005675      1.302975
  C      -1.746647     -5.332146      1.851609
  N      -2.821792     -5.931978      2.674517
  C      -3.955296     -6.366238      1.795211
  C      -5.255456     -6.139003      2.521729
  N      -5.263449     -4.815109      3.147357
  Mo     -3.480222     -4.254359      4.068468
  N      -2.344909     -5.624090      5.316145
  C      -1.509786     -6.597046      4.619601
  C      -2.312002     -7.090048      3.443884
  H      -1.266904     -7.448526      5.273661
  H      -0.546813     -6.158559      4.301564
  H      -3.182458     -7.645708      3.814514
  H      -1.723347     -7.753341      2.790197
  H      -6.098849     -6.278938      1.834380
  H      -5.375917     -6.878295      3.333416
  H      -3.955848     -5.752222      0.891566
  H      -3.814673     -7.420598      1.507230
  H      -1.344418     -3.464248      0.914241
  H      -2.911076     -4.145890      0.455795
  H      -0.866599     -5.186465      2.491608
  H      -1.464588     -6.017282      1.031700
  C      -3.140040     -1.926151      2.052076
  C      -2.858756     -1.399180      0.763433
  C      -3.058502     -0.078152      0.395801
  C      -2.743779      0.290098     -1.004329
  O      -2.207691     -0.480329     -1.796763
  C      -3.595016      0.848088      1.350809
  C      -3.816765      2.284650      1.144810
  O      -3.520180      2.954338      0.161132
  C      -3.925236      0.353906      2.601083
  C      -3.736515     -0.992526      2.995545
  C      -4.184378     -1.337647      4.280818
  O      -4.151758     -2.525535      4.781875
  C      -6.388961     -4.048833      3.016428
  C      -6.869487     -3.311204      4.127766
  C      -8.074080     -2.615174      4.129772
  C      -8.386691     -1.959009      5.417191
  O      -9.344056     -1.255521      5.687804
  C      -8.898774     -2.603422      2.958557
  C     -10.210351     -1.933433      2.853030
  O     -10.921580     -1.991670      1.839795
  C      -8.400029     -3.257947      1.836307
  C      -7.173786     -3.935851      1.800596
  C      -6.702054     -4.230731      0.449730
  O      -5.579007     -4.587264      0.104482
  C      -2.083234     -5.417680      6.617437
  C      -0.865882     -5.859249      7.239597
  C      -0.552887     -5.555122      8.549205
  C       0.749291     -6.086679      9.068646
  O       1.690822     -6.286093      8.334692
  C      -1.482981     -4.827375      9.374896
  C      -1.172889     -4.393190     10.736831
  O      -0.031683     -4.506118     11.283038
  C      -2.726830     -4.496133      8.826340
  C      -3.042407     -4.763041      7.488114
  C      -4.396409     -4.624893      7.054157
  O      -4.791489     -4.762745      5.874965
  H      -2.478789     -2.039850     -0.026662
  H      -3.016561      1.316078     -1.303591
  H      -4.301949      2.771679      2.027233
  H      -4.355996      1.037583      3.336112
  H      -4.649424     -0.566930      4.906144
  H      -6.305008     -3.365788      5.053552
  H      -7.629433     -2.168808      6.189642
  H     -10.533996     -1.365515      3.750550
  H      -8.987797     -3.189211      0.915125
  H      -7.479241     -4.028769     -0.326655
  H      -0.114919     -6.415631      6.668029
  H       0.762701     -6.323763     10.135994
  H      -2.043069     -3.915989     11.270606
  H      -3.485438     -4.008224      9.457142
  H      -5.159830     -4.463275      7.842863
  N      -1.501370     -3.102567      4.763729
  H      -1.516260     -2.874381      5.761576
  H      -1.452811     -2.217483      4.252564
  H      -0.622975     -3.594002      4.586574
  N      -5.027383     -7.975956      5.922600
  N      -4.936738     -8.432986      6.942533
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.964145249685
  N      -2.868916     -3.236013      2.368254
  C      -2.215822     -4.002635      1.299147
  C      -1.742677     -5.329006      1.838349
  N      -2.818651     -5.935154      2.663069
  C      -3.946778     -6.361223      1.785428
  C      -5.252242     -6.140155      2.510944
  N      -5.261044     -4.813400      3.141700
  Mo     -3.476608     -4.261508      4.064818
  N      -2.343762     -5.628802      5.316034
  C      -1.507782     -6.602188      4.610828
  C      -2.307177     -7.101113      3.429456
  H      -1.262848     -7.456668      5.259528
  H      -0.548189     -6.154856      4.289520
  H      -3.179644     -7.660831      3.792893
  H      -1.715452     -7.762852      2.771814
  H      -6.096640     -6.283405      1.824889
  H      -5.372977     -6.886705      3.325054
  H      -3.947280     -5.750244      0.887279
  H      -3.803696     -7.410371      1.495694
  H      -1.339383     -3.453613      0.907112
  H      -2.912046     -4.139251      0.453652
  H      -0.862867     -5.184412      2.479899
  H      -1.458365     -6.006707      1.016135
  C      -3.135047     -1.933359      2.058093
  C      -2.851165     -1.409953      0.765636
  C      -3.049213     -0.085626      0.397323
  C      -2.732115      0.286689     -1.002991
  O      -2.217281     -0.489604     -1.800644
  C      -3.576798      0.838153      1.358367
  C      -3.795682      2.273705      1.153463
  O      -3.509807      2.930374      0.165292
  C      -3.902676      0.347759      2.610090
  C      -3.720857     -1.000113      3.003439
  C      -4.173572     -1.347520      4.292968
  O      -4.144613     -2.536775      4.786725
  C      -6.393707     -4.046421      3.011838
  C      -6.870046     -3.299726      4.120438
  C      -8.080252     -2.612505      4.132441
  C      -8.376952     -1.945493      5.422572
  O      -9.350317     -1.256955      5.698926
  C      -8.919824     -2.614037      2.973113
  C     -10.231385     -1.945623      2.880748
  O     -10.934600     -1.982947      1.880720
  C      -8.424535     -3.267585      1.847593
  C      -7.189244     -3.936842      1.801720
  C      -6.732417     -4.227301      0.440484
  O      -5.604476     -4.569028      0.083158
  C      -2.086885     -5.419179      6.619089
  C      -0.874379     -5.840508      7.244559
  C      -0.563891     -5.527582      8.553739
  C       0.741043     -6.052778      9.078691
  O       1.721296     -6.265717      8.364646
  C      -1.493634     -4.818880      9.378378
  C      -1.196489     -4.364593     10.733561
  O      -0.088051     -4.378253     11.272380
  C      -2.730552     -4.510248      8.827563
  C      -3.046018     -4.772216      7.486830
  C      -4.401330     -4.638130      7.047550
  O      -4.786904     -4.771032      5.868988
  H      -2.474010     -2.054671     -0.025966
  H      -3.005301      1.330548     -1.305534
  H      -4.274341      2.764303      2.037735
  H      -4.333056      1.036315      3.347694
  H      -4.639089     -0.578471      4.925587
  H      -6.294851     -3.337691      5.040819
  H      -7.558919     -2.111936      6.194835
  H     -10.559901     -1.392235      3.778493
  H      -9.020635     -3.204987      0.931243
  H      -7.517207     -4.026200     -0.330116
  H      -0.122264     -6.382524      6.676163
  H       0.778128     -6.299875     10.175324
  H      -2.061566     -3.962339     11.269811
  H      -3.485973     -4.034566      9.454989
  H      -5.171430     -4.481782      7.828956
  N      -1.495704     -3.118856      4.765356
  H      -1.507249     -2.890759      5.767490
  H      -1.443405     -2.232053      4.256368
  H      -0.616794     -3.613673      4.586383
  N      -5.019613     -7.984673      5.924597
  N      -4.976237     -8.450230      6.878892
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6421.597561044217
  N      -2.874386     -3.232256      2.357280
  C      -2.221109     -4.004352      1.292779
  C      -1.746501     -5.329859      1.837582
  N      -2.819945     -5.933540      2.662276
  C      -3.951263     -6.367903      1.785234
  C      -5.253117     -6.145904      2.512714
  N      -5.263984     -4.819494      3.135331
  Mo     -3.480141     -4.257398      4.058031
  N      -2.345020     -5.622388      5.310129
  C      -1.509304     -6.595943      4.611256
  C      -2.309373     -7.092291      3.432664
  H      -1.266626     -7.447949      5.264226
  H      -0.547168     -6.155380      4.290683
  H      -3.181620     -7.650143      3.800911
  H      -1.719253     -7.756036      2.777520
  H      -6.096379     -6.291392      1.827317
  H      -5.371308     -6.885181      3.326237
  H      -3.954201     -5.755434      0.882193
  H      -3.808690     -7.421324      1.497119
  H      -1.346154     -3.459978      0.902275
  H      -2.914569     -4.144286      0.445457
  H      -0.866411     -5.183778      2.478072
  H      -1.463101     -6.011543      1.016254
  C      -3.136618     -1.926538      2.046600
  C      -2.842235     -1.400319      0.758165
  C      -3.031898     -0.075556      0.391740
  C      -2.699456      0.291486     -1.009371
  O      -2.155107     -0.483615     -1.794703
  C      -3.573582      0.851974      1.349532
  C      -3.785993      2.293689      1.149605
  O      -3.474548      2.967536      0.172942
  C      -3.915067      0.357570      2.597749
  C      -3.732872     -0.991791      2.990527
  C      -4.187688     -1.339288      4.276034
  O      -4.154795     -2.528648      4.774052
  C      -6.395726     -4.056096      3.014330
  C      -6.871311     -3.323525      4.131446
  C      -8.079092     -2.634774      4.149076
  C      -8.376600     -1.980855      5.443294
  O      -9.341209     -1.285851      5.721058
  C      -8.914042     -2.619192      2.987866
  C     -10.220783     -1.944157      2.899191
  O     -10.930981     -1.984429      1.895340
  C      -8.422337     -3.267421      1.858442
  C      -7.192132     -3.941358      1.807917
  C      -6.733833     -4.228137      0.448287
  O      -5.610589     -4.581266      0.090704
  C      -2.087894     -5.412376      6.612653
  C      -0.875340     -5.840760      7.239793
  C      -0.566620     -5.531905      8.550607
  C       0.732760     -6.072711      9.084184
  O       1.711391     -6.292049      8.372725
  C      -1.495706     -4.814150      9.370482
  C      -1.197488     -4.366433     10.725982
  O      -0.103011     -4.409431     11.270741
  C      -2.732738     -4.496002      8.817180
  C      -3.045918     -4.760300      7.476700
  C      -4.399530     -4.626453      7.041310
  O      -4.791087     -4.765691      5.864014
  H      -2.458296     -2.044542     -0.032446
  H      -2.971118      1.320295     -1.317619
  H      -4.284043      2.779510      2.029504
  H      -4.350209      1.043732      3.332912
  H      -4.656848     -0.569213      4.903991
  H      -6.299708     -3.379138      5.052044
  H      -7.569709     -2.162777      6.212257
  H     -10.545970     -1.391398      3.802578
  H      -9.017362     -3.196282      0.943595
  H      -7.525057     -4.036715     -0.320945
  H      -0.123655     -6.391126      6.674254
  H       0.754753     -6.331430     10.174951
  H      -2.084152     -3.936568     11.265145
  H      -3.489353     -4.016860      9.443731
  H      -5.163797     -4.468165      7.827571
  N      -1.502903     -3.104284      4.758270
  H      -1.516322     -2.877385      5.757332
  H      -1.454797     -2.217216      4.249489
  H      -0.623421     -3.595182      4.579172
  N      -5.011839     -7.985196      5.921118
  N      -4.929531     -8.434802      6.931460
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.951617308239
  N      -2.881204     -3.225795      2.340080
  C      -2.227703     -4.006907      1.283192
  C      -1.751481     -5.331150      1.837217
  N      -2.821623     -5.930543      2.661089
  C      -3.957921     -6.378450      1.784753
  C      -5.254190     -6.153561      2.514819
  N      -5.267081     -4.829058      3.126334
  Mo     -3.484757     -4.250588      4.046889
  N      -2.347705     -5.612817      5.301245
  C      -1.512750     -6.587001      4.612486
  C      -2.313507     -7.078056      3.437665
  H      -1.274865     -7.435432      5.272231
  H      -0.546304     -6.157767      4.293697
  H      -3.186444     -7.632500      3.812099
  H      -1.725427     -7.744774      2.786719
  H      -6.094573     -6.299826      1.828964
  H      -5.370437     -6.882203      3.325902
  H      -3.963748     -5.765169      0.872777
  H      -3.816915     -7.439367      1.501434
  H      -1.354663     -3.470306      0.895649
  H      -2.916535     -4.151784      0.432862
  H      -0.871326     -5.182966      2.476596
  H      -1.469225     -6.019242      1.017443
  C      -3.138910     -1.915810      2.027488
  C      -2.828600     -1.385756      0.745425
  C      -3.007341     -0.061066      0.381222
  C      -2.648433      0.297525     -1.020231
  O      -2.058818     -0.476398     -1.784097
  C      -3.573400      0.872417      1.332210
  C      -3.780317      2.322847      1.139064
  O      -3.434728      3.023509      0.180338
  C      -3.938209      0.372240      2.575149
  C      -3.753136     -0.978729      2.968217
  C      -4.210098     -1.326094      4.247584
  O      -4.169808     -2.515336      4.752946
  C      -6.396693     -4.070142      3.019762
  C      -6.871730     -3.362165      4.150642
  C      -8.075456     -2.670061      4.176948
  C      -8.374685     -2.037698      5.477442
  O      -9.321761     -1.329206      5.756863
  C      -8.902151     -2.625183      3.012453
  C     -10.204330     -1.943044      2.929910
  O     -10.924153     -1.984959      1.918298
  C      -8.414827     -3.262694      1.876468
  C      -7.192605     -3.944262      1.818706
  C      -6.730278     -4.223576      0.462082
  O      -5.614977     -4.595924      0.104917
  C      -2.089806     -5.402557      6.602947
  C      -0.877692     -5.844022      7.232966
  C      -0.571570     -5.541964      8.546360
  C       0.717528     -6.109642      9.093810
  O       1.692774     -6.340254      8.386309
  C      -1.498576     -4.808107      9.358424
  C      -1.198163     -4.371038     10.714304
  O      -0.128384     -4.461883     11.268163
  C      -2.735316     -4.473052      8.801154
  C      -3.045311     -4.740838      7.461113
  C      -4.396173     -4.605971      7.032230
  O      -4.797446     -4.755101      5.857048
  H      -2.432184     -2.028739     -0.042756
  H      -2.914665      1.303065     -1.336719
  H      -4.307164      2.800870      2.012407
  H      -4.381790      1.054368      3.305795
  H      -4.685303     -0.554396      4.867669
  H      -6.306571     -3.447691      5.071249
  H      -7.588624     -2.247578      6.241540
  H     -10.529781     -1.400431      3.842677
  H      -9.007370     -3.176344      0.963779
  H      -7.530316     -4.044357     -0.305268
  H      -0.127364     -6.408964      6.672336
  H       0.715102     -6.384807     10.174592
  H      -2.118448     -3.893459     11.257283
  H      -3.493316     -3.987144      9.426253
  H      -5.150824     -4.443235      7.826081
  N      -1.512938     -3.081894      4.747739
  H      -1.530009     -2.856476      5.741776
  H      -1.470740     -2.194660      4.238842
  H      -0.632476     -3.566988      4.569764
  N      -4.999952     -7.982305      5.912802
  N      -4.853940     -8.396893      7.013486
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.953131726787
  N      -2.865844     -3.224442      2.350852
  C      -2.212514     -4.005056      1.292218
  C      -1.737970     -5.330053      1.845786
  N      -2.813571     -5.930840      2.663064
  C      -3.946434     -6.382654      1.783327
  C      -5.247283     -6.148438      2.505216
  N      -5.250668     -4.836736      3.138497
  Mo     -3.475621     -4.256079      4.046714
  N      -2.350426     -5.623800      5.308579
  C      -1.513704     -6.598219      4.619684
  C      -2.307854     -7.083562      3.438722
  H      -1.282329     -7.450877      5.277305
  H      -0.546485     -6.165711      4.307739
  H      -3.185769     -7.642302      3.802832
  H      -1.711004     -7.743046      2.787943
  H      -6.078189     -6.270049      1.805674
  H      -5.381600     -6.888074      3.301989
  H      -3.941786     -5.785673      0.861751
  H      -3.809721     -7.448146      1.520533
  H      -1.337012     -3.467783      0.906084
  H      -2.902212     -4.148010      0.443315
  H      -0.861418     -5.181535      2.490503
  H      -1.450681     -6.016068      1.026249
  C      -3.147788     -1.922252      2.029238
  C      -2.856749     -1.397447      0.742879
  C      -3.070519     -0.081462      0.369263
  C      -2.712276      0.279271     -1.028965
  O      -2.146230     -0.506307     -1.798106
  C      -3.645617      0.848350      1.314064
  C      -3.899995      2.286839      1.107037
  O      -3.620885      2.977781      0.124296
  C      -3.981032      0.354629      2.566095
  C      -3.769188     -0.988149      2.967440
  C      -4.213234     -1.335768      4.250250
  O      -4.159242     -2.523984      4.755695
  C      -6.373433     -4.063044      3.028193
  C      -6.854107     -3.362383      4.159650
  C      -8.044137     -2.647495      4.177497
  C      -8.347899     -2.018110      5.477854
  O      -9.277723     -1.287321      5.749985
  C      -8.855760     -2.581341      3.003992
  C     -10.151834     -1.884342      2.912387
  O     -10.858203     -1.904347      1.887498
  C      -8.363737     -3.216261      1.868835
  C      -7.147142     -3.910704      1.819255
  C      -6.670283     -4.184174      0.466779
  O      -5.558452     -4.569988      0.117487
  C      -2.091930     -5.417894      6.611422
  C      -0.883357     -5.867787      7.242848
  C      -0.574533     -5.563208      8.555026
  C       0.710869     -6.124877      9.096663
  O       1.673185     -6.356167      8.381636
  C      -1.497190     -4.824016      9.367887
  C      -1.192017     -4.382986     10.722048
  O      -0.121202     -4.482437     11.273857
  C      -2.733073     -4.484955      8.811949
  C      -3.045198     -4.751697      7.471220
  C      -4.396314     -4.611256      7.042229
  O      -4.794860     -4.754790      5.866067
  H      -2.449899     -2.034913     -0.041273
  H      -2.963281      1.293372     -1.338283
  H      -4.401683      2.762895      1.993904
  H      -4.432090      1.033030      3.293862
  H      -4.692435     -0.566814      4.869773
  H      -6.297176     -3.459595      5.084736
  H      -7.587440     -2.259374      6.251532
  H     -10.485194     -1.352053      3.829464
  H      -8.944032     -3.114155      0.950487
  H      -7.449756     -3.966871     -0.308037
  H      -0.135095     -6.435193      6.683282
  H       0.713121     -6.371383     10.175380
  H      -2.106997     -3.896776     11.266722
  H      -3.488730     -3.993066      9.437183
  H      -5.152460     -4.442114      7.833167
  N      -1.502284     -3.097351      4.764179
  H      -1.528033     -2.867561      5.758021
  H      -1.451978     -2.211808      4.251255
  H      -0.619240     -3.585230      4.599289
  N      -4.997874     -7.957470      5.886520
  N      -4.908899     -8.367654      6.990912
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.956669289490
  N      -2.888499     -3.233444      2.351490
  C      -2.243680     -4.013175      1.288888
  C      -1.764395     -5.338432      1.837871
  N      -2.831531     -5.941396      2.662333
  C      -3.967290     -6.390649      1.786186
  C      -5.262712     -6.160703      2.518353
  N      -5.268975     -4.835261      3.130565
  Mo     -3.490482     -4.263342      4.053982
  N      -2.353165     -5.626873      5.302083
  C      -1.517181     -6.600241      4.608941
  C      -2.321208     -7.090620      3.435052
  H      -1.276195     -7.450011      5.266716
  H      -0.551800     -6.168647      4.287533
  H      -3.191856     -7.645507      3.810420
  H      -1.734851     -7.755295      2.780568
  H      -6.104472     -6.302947      1.829329
  H      -5.380923     -6.891469      3.331392
  H      -3.971906     -5.780634      0.872848
  H      -3.827841     -7.452172      1.509188
  H      -1.373158     -3.477180      0.896113
  H      -2.938622     -4.156824      0.444499
  H      -0.883041     -5.189693      2.474795
  H      -1.482417     -6.022618      1.015443
  C      -3.145183     -1.922046      2.045470
  C      -2.846392     -1.390226      0.763500
  C      -3.024882     -0.064535      0.403967
  C      -2.665873      0.302872     -0.991842
  O      -2.118375     -0.484637     -1.771393
  C      -3.567867      0.867818      1.362641
  C      -3.779370      2.314292      1.169633
  O      -3.474332      3.005392      0.194708
  C      -3.913974      0.368125      2.609616
  C      -3.737598     -0.984499      2.997167
  C      -4.195426     -1.335877      4.275611
  O      -4.165966     -2.529227      4.772706
  C      -6.390425     -4.067509      3.011990
  C      -6.859184     -3.337421      4.136842
  C      -8.058619     -2.641304      4.152760
  C      -8.358769     -1.994275      5.447696
  O      -9.322093     -1.295285      5.719272
  C      -8.890263     -2.614936      2.984633
  C     -10.192101     -1.933075      2.890637
  O     -10.893249     -1.965455      1.871773
  C      -8.406049     -3.269847      1.854290
  C      -7.183529     -3.952638      1.807237
  C      -6.722968     -4.246974      0.453181
  O      -5.599084     -4.604357      0.097388
  C      -2.092466     -5.416200      6.605361
  C      -0.875646     -5.831599      7.226229
  C      -0.565775     -5.515053      8.536066
  C       0.735383     -6.011614      9.056571
  O       1.686071     -6.196035      8.324818
  C      -1.496238     -4.813379      9.360906
  C      -1.191593     -4.376221     10.717684
  O      -0.100077     -4.447471     11.258871
  C      -2.740318     -4.506414      8.813217
  C      -3.052541     -4.774560      7.471540
  C      -4.404727     -4.641641      7.039510
  O      -4.802968     -4.777640      5.862023
  H      -2.459309     -2.031161     -0.026860
  H      -2.897200      1.327219     -1.291801
  H      -4.270657      2.796710      2.058565
  H      -4.348044      1.049178      3.343882
  H      -4.661337     -0.563816      4.900310
  H      -6.287209     -3.403447      5.061323
  H      -7.577903     -2.198767      6.217427
  H     -10.523346     -1.385912      3.798590
  H      -9.000237     -3.195548      0.937911
  H      -7.517646     -4.059145     -0.316734
  H      -0.121173     -6.368974      6.656758
  H       0.749721     -6.245061     10.126910
  H      -2.093083     -3.926115     11.268793
  H      -3.499849     -4.034773      9.444060
  H      -5.163435     -4.480777      7.828846
  N      -1.512388     -3.101922      4.752131
  H      -1.524546     -2.878938      5.746908
  H      -1.468363     -2.213852      4.245951
  H      -0.634420     -3.589395      4.569787
  N      -5.015801     -7.993509      5.912615
  N      -4.897740     -8.408726      7.005862
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.966864289867
  N      -2.873778     -3.232513      2.362301
  C      -2.231871     -4.005100      1.292169
  C      -1.757017     -5.333725      1.833194
  N      -2.828732     -5.933101      2.660079
  C      -3.965089     -6.365156      1.783300
  C      -5.258720     -6.145941      2.524886
  N      -5.268460     -4.816967      3.140717
  Mo     -3.481965     -4.258333      4.059702
  N      -2.346804     -5.631807      5.304676
  C      -1.517328     -6.608354      4.605393
  C      -2.320599     -7.094212      3.424615
  H      -1.278742     -7.463769      5.256419
  H      -0.553062     -6.172329      4.287163
  H      -3.190899     -7.652344      3.787290
  H      -1.734243     -7.754653      2.767381
  H      -6.113509     -6.302933      1.849423
  H      -5.360691     -6.879569      3.348465
  H      -3.975093     -5.741045      0.881530
  H      -3.822169     -7.419046      1.480900
  H      -1.361734     -3.465445      0.895229
  H      -2.931580     -4.144080      0.451042
  H      -0.872738     -5.192821      2.468537
  H      -1.481671     -6.015464      1.007878
  C      -3.123566     -1.921188      2.058548
  C      -2.836348     -1.392549      0.772283
  C      -3.018316     -0.066950      0.410140
  C      -2.729267      0.290901     -0.998032
  O      -2.191507     -0.476404     -1.793161
  C      -3.535774      0.865213      1.375319
  C      -3.717813      2.314190      1.183443
  O      -3.373694      2.999654      0.217947
  C      -3.877966      0.367346      2.622127
  C      -3.710139     -0.986608      3.008635
  C      -4.172540     -1.338215      4.288978
  O      -4.151658     -2.530282      4.780702
  C      -6.393245     -4.052423      3.013924
  C      -6.868680     -3.308105      4.126388
  C      -8.080991     -2.628352      4.137355
  C      -8.403490     -1.990098      5.430523
  O      -9.389003     -1.313298      5.713568
  C      -8.915597     -2.628799      2.973220
  C     -10.238047     -1.980199      2.876449
  O     -10.948817     -2.043414      1.866530
  C      -8.419644     -3.284315      1.848658
  C      -7.189921     -3.953624      1.805704
  C      -6.725215     -4.244547      0.449804
  O      -5.592414     -4.577500      0.093384
  C      -2.088657     -5.427838      6.609989
  C      -0.873179     -5.858595      7.234535
  C      -0.563602     -5.536215      8.541281
  C       0.738783     -6.057719      9.065829
  O       1.697603     -6.262602      8.341891
  C      -1.495091     -4.804872      9.359919
  C      -1.192236     -4.335014     10.710695
  O      -0.083713     -4.368507     11.241788
  C      -2.737750     -4.491082      8.810528
  C      -3.050383     -4.769299      7.473259
  C      -4.404924     -4.634024      7.036884
  O      -4.794861     -4.774026      5.857807
  H      -2.475120     -2.040593     -0.024063
  H      -3.034202      1.296021     -1.305124
  H      -4.215631      2.803718      2.061237
  H      -4.299971      1.053638      3.360751
  H      -4.639899     -0.570195      4.917790
  H      -6.295164     -3.352046      5.049908
  H      -7.636526     -2.193178      6.191229
  H     -10.562990     -1.417309      3.770090
  H      -9.014201     -3.225256      0.932161
  H      -7.498081     -4.036285     -0.317193
  H      -0.119940     -6.412864      6.667083
  H       0.757702     -6.276020     10.140374
  H      -2.074765     -3.905663     11.259053
  H      -3.496962     -3.994581      9.435505
  H      -5.170733     -4.470757      7.822453
  N      -1.503150     -3.109829      4.759377
  H      -1.510610     -2.899875      5.759709
  H      -1.457650     -2.216550      4.264614
  H      -0.628085     -3.597690      4.566813
  N      -4.997558     -7.988136      5.941547
  N      -4.910943     -8.395802      6.995657
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969658137578
  N      -2.876427     -3.234595      2.361530
  C      -2.226495     -4.006169      1.294305
  C      -1.751513     -5.332963      1.838170
  N      -2.824497     -5.936096      2.664162
  C      -3.957177     -6.371159      1.787110
  C      -5.255737     -6.149530      2.518721
  N      -5.270319     -4.821941      3.138449
  Mo     -3.486259     -4.260608      4.060334
  N      -2.350304     -5.624978      5.311675
  C      -1.516157     -6.602036      4.612468
  C      -2.311883     -7.097077      3.430396
  H      -1.275460     -7.454865      5.265230
  H      -0.551193     -6.164174      4.294494
  H      -3.179412     -7.664871      3.789467
  H      -1.715482     -7.753374      2.774591
  H      -6.100781     -6.297057      1.835987
  H      -5.370852     -6.889166      3.332509
  H      -3.962213     -5.753770      0.885797
  H      -3.815300     -7.424568      1.495902
  H      -1.350956     -3.462849      0.903940
  H      -2.921813     -4.144156      0.447690
  H      -0.870100     -5.186775      2.476815
  H      -1.470636     -6.015346      1.016804
  C      -3.134159     -1.926372      2.052879
  C      -2.836982     -1.393627      0.768575
  C      -3.023782     -0.067987      0.406874
  C      -2.682918      0.313459     -0.985583
  O      -2.150158     -0.456622     -1.780537
  C      -3.563788      0.853666      1.364142
  C      -3.780892      2.290258      1.163894
  O      -3.480433      2.958412      0.183500
  C      -3.906002      0.355516      2.610364
  C      -3.727781     -0.993306      2.999221
  C      -4.187694     -1.343010      4.282062
  O      -4.161371     -2.532764      4.777012
  C      -6.406137     -4.063879      3.012292
  C      -6.879612     -3.318337      4.122389
  C      -8.088873     -2.631154      4.133336
  C      -8.371777     -1.945891      5.417292
  O      -9.331253     -1.246277      5.679202
  C      -8.928759     -2.635775      2.972202
  C     -10.232874     -1.960386      2.874566
  O     -10.927012     -1.996173      1.864729
  C      -8.438439     -3.295382      1.849091
  C      -7.206162     -3.964531      1.804093
  C      -6.746439     -4.258982      0.447759
  O      -5.618095     -4.600030      0.089755
  C      -2.090283     -5.416732      6.613386
  C      -0.874558     -5.845861      7.235712
  C      -0.559773     -5.539261      8.544517
  C       0.743756     -6.062028      9.065390
  O       1.695670     -6.255459      8.335795
  C      -1.486004     -4.825826      9.370793
  C      -1.176230     -4.374156     10.725693
  O      -0.070912     -4.434241     11.266194
  C      -2.724909     -4.500844      8.821123
  C      -3.043688     -4.760509      7.481308
  C      -4.397686     -4.620499      7.049327
  O      -4.795520     -4.760073      5.873694
  H      -2.451721     -2.030778     -0.022797
  H      -2.936419      1.355273     -1.279441
  H      -4.271791      2.774664      2.045481
  H      -4.342019      1.038121      3.346374
  H      -4.656363     -0.572849      4.909611
  H      -6.298912     -3.353629      5.042851
  H      -7.557383     -2.106810      6.193369
  H     -10.569474     -1.409908      3.773452
  H      -9.034526     -3.234052      0.933511
  H      -7.539723     -4.074267     -0.321396
  H      -0.124713     -6.391976      6.664930
  H       0.768324     -6.321198     10.146271
  H      -2.061057     -3.923066     11.267375
  H      -3.478632     -4.019100      9.450487
  H      -5.155426     -4.457440      7.838343
  N      -1.510344     -3.104116      4.764799
  H      -1.521538     -2.890016      5.767349
  H      -1.467680     -2.211808      4.267228
  H      -0.630389     -3.589256      4.577285
  N      -4.986930     -7.963609      5.926829
  N      -4.933423     -8.388709      6.947602
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.968865164149
  N      -2.882034     -3.235493      2.351447
  C      -2.240788     -4.010533      1.281562
  C      -1.761799     -5.334010      1.823789
  N      -2.829764     -5.936712      2.658064
  C      -3.961694     -6.376165      1.787559
  C      -5.262366     -6.146642      2.515974
  N      -5.267906     -4.814270      3.129395
  Mo     -3.485155     -4.257610      4.048908
  N      -2.348101     -5.615918      5.304170
  C      -1.506731     -6.584452      4.603439
  C      -2.307076     -7.091489      3.430884
  H      -1.255986     -7.433492      5.256620
  H      -0.551737     -6.134869      4.275634
  H      -3.174446     -7.658078      3.798563
  H      -1.710446     -7.748988      2.774840
  H      -6.109595     -6.303056      1.839647
  H      -5.370939     -6.875798      3.338819
  H      -3.964056     -5.778621      0.881095
  H      -3.822357     -7.428249      1.511692
  H      -1.370820     -3.468528      0.873748
  H      -2.946696     -4.153814      0.446387
  H      -0.878570     -5.187119      2.459883
  H      -1.481721     -6.015512      1.001977
  C      -3.129146     -1.925862      2.049582
  C      -2.838570     -1.403855      0.758698
  C      -3.012754     -0.075153      0.395971
  C      -2.681189      0.288037     -1.006270
  O      -2.147924     -0.498782     -1.791048
  C      -3.533926      0.856545      1.360991
  C      -3.718229      2.302112      1.168237
  O      -3.386205      2.972397      0.198210
  C      -3.874052      0.365120      2.609345
  C      -3.708092     -0.987925      2.997842
  C      -4.171027     -1.335201      4.281927
  O      -4.153733     -2.528448      4.772735
  C      -6.396844     -4.049881      3.011732
  C      -6.869030     -3.307347      4.125082
  C      -8.076334     -2.622806      4.147118
  C      -8.397503     -1.992261      5.443800
  O      -9.385308     -1.320259      5.738136
  C      -8.912787     -2.615245      2.993779
  C     -10.241068     -1.972700      2.912213
  O     -10.972918     -2.052728      1.916711
  C      -8.418969     -3.264922      1.864433
  C      -7.188009     -3.935499      1.810901
  C      -6.735288     -4.232422      0.450117
  O      -5.623240     -4.596310      0.090765
  C      -2.094963     -5.406903      6.608267
  C      -0.882829     -5.817028      7.232228
  C      -0.577613     -5.505547      8.544545
  C       0.725921     -5.997835      9.067192
  O       1.705728     -6.193420      8.352201
  C      -1.511010     -4.827846      9.374540
  C      -1.212169     -4.404687     10.739287
  O      -0.107879     -4.428962     11.278454
  C      -2.747245     -4.524694      8.822606
  C      -3.058159     -4.772481      7.475201
  C      -4.412404     -4.633678      7.032583
  O      -4.800252     -4.766739      5.853123
  H      -2.475119     -2.054620     -0.035927
  H      -2.954117      1.319213     -1.318165
  H      -4.215542      2.793813      2.046785
  H      -4.301383      1.053940      3.345990
  H      -4.634475     -0.563970      4.911776
  H      -6.306200     -3.364339      5.041904
  H      -7.604590     -2.182060      6.198670
  H     -10.570533     -1.423144      3.810889
  H      -9.016564     -3.201776      0.953122
  H      -7.518693     -4.034225     -0.317217
  H      -0.126180     -6.340501      6.660836
  H       0.758638     -6.231028     10.156026
  H      -2.085523     -4.009703     11.283013
  H      -3.505462     -4.070864      9.454167
  H      -5.182270     -4.468391      7.813263
  N      -1.503199     -3.109755      4.745605
  H      -1.506815     -2.894260      5.747787
  H      -1.458277     -2.215259      4.247155
  H      -0.624505     -3.599647      4.552500
  N      -4.978783     -7.985152      5.939237
  N      -4.917241     -8.392951      6.955357
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969851051866
  N      -2.873073     -3.232164      2.357059
  C      -2.237104     -4.004370      1.282539
  C      -1.759055     -5.332117      1.818605
  N      -2.826785     -5.937426      2.648602
  C      -3.962822     -6.369486      1.776068
  C      -5.257778     -6.149022      2.518790
  N      -5.264237     -4.814270      3.127728
  Mo     -3.480489     -4.261820      4.049645
  N      -2.350910     -5.632307      5.298244
  C      -1.511995     -6.601489      4.596000
  C      -2.312461     -7.097203      3.416859
  H      -1.266366     -7.455172      5.246635
  H      -0.552516     -6.154588      4.275058
  H      -3.183958     -7.656878      3.784584
  H      -1.721226     -7.758586      2.759926
  H      -6.112216     -6.310613      1.847601
  H      -5.354581     -6.878729      3.346874
  H      -3.973138     -5.753126      0.875966
  H      -3.821615     -7.421055      1.483454
  H      -1.366898     -3.463160      0.878162
  H      -2.943143     -4.142632      0.447073
  H      -0.874624     -5.188552      2.453566
  H      -1.480968     -6.009455      0.992018
  C      -3.115995     -1.919295      2.064473
  C      -2.834014     -1.388440      0.776793
  C      -3.009890     -0.058052      0.424620
  C      -2.710644      0.310650     -0.978650
  O      -2.192658     -0.466696     -1.778887
  C      -3.512148      0.870562      1.400223
  C      -3.692301      2.318261      1.217600
  O      -3.374818      2.993877      0.245307
  C      -3.841605      0.372018      2.647250
  C      -3.683286     -0.984774      3.024091
  C      -4.145354     -1.339166      4.304429
  O      -4.139008     -2.536063      4.785571
  C      -6.394578     -4.055031      3.006493
  C      -6.855161     -3.292294      4.113823
  C      -8.071872     -2.621859      4.133120
  C      -8.364975     -1.947529      5.419125
  O      -9.341791     -1.270486      5.699971
  C      -8.932371     -2.653685      2.984178
  C     -10.259128     -2.013311      2.899545
  O     -10.976414     -2.083790      1.903926
  C      -8.450418     -3.322878      1.860377
  C      -7.208943     -3.977272      1.808551
  C      -6.766191     -4.286644      0.446981
  O      -5.624309     -4.589239      0.077753
  C      -2.098834     -5.425139      6.603816
  C      -0.887232     -5.849728      7.234037
  C      -0.582140     -5.518433      8.540484
  C       0.722655     -6.030557      9.069043
  O       1.692047     -6.264763      8.353879
  C      -1.516973     -4.788454      9.353448
  C      -1.221676     -4.309644     10.701253
  O      -0.117242     -4.326028     11.234046
  C      -2.757660     -4.490164      8.801999
  C      -3.065854     -4.773985      7.464207
  C      -4.419678     -4.647985      7.021585
  O      -4.800458     -4.784251      5.840647
  H      -2.482925     -2.035423     -0.024476
  H      -2.997489      1.335664     -1.277827
  H      -4.169927      2.809582      2.106619
  H      -4.255486      1.058343      3.392069
  H      -4.600388     -0.569648      4.940720
  H      -6.262301     -3.309172      5.028721
  H      -7.560465     -2.107474      6.177969
  H     -10.588608     -1.454933      3.793900
  H      -9.065063     -3.286974      0.951526
  H      -7.580638     -4.137236     -0.316878
  H      -0.130588     -6.401352      6.670871
  H       0.749731     -6.223327     10.150885
  H      -2.104290     -3.885099     11.241213
  H      -3.518787     -3.999331      9.424085
  H      -5.194334     -4.489473      7.800644
  N      -1.489175     -3.124448      4.747485
  H      -1.489333     -2.917290      5.750807
  H      -1.441710     -2.226956      4.256963
  H      -0.614288     -3.614589      4.544499
  N      -4.993614     -8.013287      5.948953
  N      -4.934078     -8.410409      6.973191
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969101220232
  N      -2.880765     -3.230625      2.354922
  C      -2.236617     -4.004433      1.286451
  C      -1.761358     -5.331697      1.831280
  N      -2.829281     -5.931267      2.664669
  C      -3.967296     -6.367615      1.794557
  C      -5.260829     -6.152927      2.538235
  N      -5.278103     -4.818675      3.144636
  Mo     -3.488253     -4.251265      4.058626
  N      -2.349083     -5.614528      5.307065
  C      -1.511353     -6.587034      4.606379
  C      -2.310464     -7.087253      3.431251
  H      -1.261084     -7.437245      5.259526
  H      -0.550472     -6.145122      4.282610
  H      -3.171253     -7.653105      3.800921
  H      -1.717233     -7.745081      2.775483
  H      -6.115980     -6.317112      1.868459
  H      -5.357715     -6.885465      3.362492
  H      -3.983875     -5.740686      0.895776
  H      -3.821168     -7.420561      1.492917
  H      -1.362101     -3.463434      0.895298
  H      -2.933858     -4.141174      0.441146
  H      -0.875930     -5.184283      2.463909
  H      -1.486734     -6.018024      1.010656
  C      -3.129862     -1.919117      2.047600
  C      -2.833564     -1.384760      0.764340
  C      -3.004884     -0.055340      0.407833
  C      -2.676283      0.325437     -0.986446
  O      -2.140852     -0.439990     -1.782873
  C      -3.530172      0.869341      1.368699
  C      -3.724865      2.310991      1.171951
  O      -3.400836      2.982766      0.198434
  C      -3.881112      0.368720      2.611847
  C      -3.716667     -0.983819      2.995860
  C      -4.176413     -1.332943      4.277780
  O      -4.158782     -2.523089      4.772352
  C      -6.416032     -4.065652      3.014431
  C      -6.889416     -3.310205      4.117198
  C      -8.106382     -2.634167      4.125177
  C      -8.397104     -1.946336      5.404130
  O      -9.377267     -1.268688      5.669305
  C      -8.948317     -2.656683      2.966685
  C     -10.262092     -1.999421      2.867193
  O     -10.965779     -2.065341      1.861403
  C      -8.454015     -3.319215      1.847398
  C      -7.219532     -3.980815      1.805974
  C      -6.758669     -4.281535      0.453566
  O      -5.649932     -4.657683      0.104671
  C      -2.087612     -5.406752      6.608083
  C      -0.870396     -5.841750      7.231645
  C      -0.555462     -5.546837      8.542991
  C       0.747680     -6.086804      9.068225
  O       1.695533     -6.253914      8.336545
  C      -1.483564     -4.832008      9.369345
  C      -1.177344     -4.384033     10.725608
  O      -0.075682     -4.428674     11.266205
  C      -2.723247     -4.498414      8.817572
  C      -3.041525     -4.754387      7.478071
  C      -4.395131     -4.614230      7.045630
  O      -4.792935     -4.753684      5.869294
  H      -2.459869     -2.024092     -0.030596
  H      -2.936858      1.358791     -1.278611
  H      -4.214515      2.799416      2.050293
  H      -4.306589      1.053412      3.350479
  H      -4.637389     -0.560051      4.906447
  H      -6.303399     -3.330645      5.036495
  H      -7.578681     -2.089807      6.173423
  H     -10.595723     -1.435306      3.758349
  H      -9.050624     -3.267837      0.933031
  H      -7.514152     -4.056296     -0.311777
  H      -0.121171     -6.392118      6.661227
  H       0.768702     -6.372178     10.148312
  H      -2.061556     -3.967555     11.272660
  H      -3.478419     -4.012038      9.446645
  H      -5.151439     -4.456893      7.836323
  N      -1.511183     -3.094247      4.755059
  H      -1.515353     -2.889125      5.758033
  H      -1.473733     -2.198418      4.263497
  H      -0.633221     -3.577808      4.560414
  N      -4.985259     -7.980603      5.969124
  N      -4.912885     -8.386276      6.998287
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969556717532
  N      -2.873843     -3.229250      2.351545
  C      -2.232279     -4.003656      1.281409
  C      -1.756629     -5.329903      1.824060
  N      -2.826959     -5.931473      2.654324
  C      -3.962846     -6.366760      1.782915
  C      -5.258188     -6.145953      2.521813
  N      -5.270261     -4.813694      3.132129
  Mo     -3.484758     -4.253308      4.048060
  N      -2.351852     -5.618732      5.301873
  C      -1.512999     -6.589711      4.602546
  C      -2.311116     -7.089133      3.424377
  H      -1.267608     -7.441383      5.255052
  H      -0.553196     -6.144063      4.281818
  H      -3.180331     -7.652428      3.789490
  H      -1.715455     -7.748032      2.770239
  H      -6.109408     -6.304652      1.848934
  H      -5.359702     -6.876487      3.345462
  H      -3.972419     -5.752320      0.880568
  H      -3.821359     -7.419963      1.492347
  H      -1.358880     -3.463034      0.883143
  H      -2.933521     -4.142001      0.440416
  H      -0.872746     -5.184772      2.459689
  H      -1.479049     -6.012208      1.000951
  C      -3.120439     -1.919071      2.047423
  C      -2.824695     -1.390738      0.761185
  C      -2.996101     -0.062609      0.401969
  C      -2.665084      0.310151     -0.995741
  O      -2.135429     -0.464022     -1.788475
  C      -3.517148      0.866040      1.365702
  C      -3.701776      2.309656      1.173844
  O      -3.377042      2.980803      0.201399
  C      -3.863384      0.370258      2.611859
  C      -3.702647     -0.982916      2.996948
  C      -4.168073     -1.332730      4.277726
  O      -4.153602     -2.525193      4.769202
  C      -6.407592     -4.059766      3.014878
  C      -6.877867     -3.313473      4.124942
  C      -8.094140     -2.639854      4.145901
  C      -8.393314     -1.976318      5.434420
  O      -9.369395     -1.296524      5.715903
  C      -8.942290     -2.653577      2.995031
  C     -10.265729     -2.007755      2.911205
  O     -10.983237     -2.075556      1.912614
  C      -8.453349     -3.310804      1.869584
  C      -7.214757     -3.968885      1.815658
  C      -6.760005     -4.264201      0.456521
  O      -5.623956     -4.583840      0.090216
  C      -2.096836     -5.411474      6.605606
  C      -0.883092     -5.833430      7.231353
  C      -0.575881     -5.525800      8.542623
  C       0.726213     -6.039504      9.068024
  O       1.691927     -6.233420      8.346730
  C      -1.507643     -4.822282      9.367160
  C      -1.206562     -4.376348     10.724795
  O      -0.103109     -4.420556     11.265155
  C      -2.745183     -4.504114      8.813491
  C      -3.056667     -4.761819      7.470420
  C      -4.409734     -4.623864      7.031486
  O      -4.800384     -4.760493      5.853685
  H      -2.456181     -2.035290     -0.034019
  H      -2.930184      1.344539     -1.296295
  H      -4.188460      2.799146      2.055698
  H      -4.287155      1.057323      3.350618
  H      -4.632287     -0.560916      4.906840
  H      -6.293811     -3.344350      5.039183
  H      -7.588309     -2.142273      6.194084
  H     -10.595509     -1.452739      3.807991
  H      -9.056742     -3.258272      0.960541
  H      -7.561594     -4.095070     -0.307517
  H      -0.128674     -6.370728      6.662146
  H       0.752525     -6.288620     10.153349
  H      -2.090693     -3.945317     11.266057
  H      -3.503035     -4.029168      9.441337
  H      -5.174851     -4.463696      7.815577
  N      -1.501186     -3.106420      4.749170
  H      -1.505367     -2.898540      5.752708
  H      -1.458450     -2.210120      4.256767
  H      -0.623095     -3.592600      4.552045
  N      -4.980890     -7.985449      5.954826
  N      -4.915281     -8.381817      6.983397
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.969839146157
  N      -2.887341     -3.236695      2.354435
  C      -2.260378     -4.010177      1.276014
  C      -1.775638     -5.336346      1.809695
  N      -2.834934     -5.945914      2.648621
  C      -3.971211     -6.389591      1.784887
  C      -5.264672     -6.164760      2.527506
  N      -5.270408     -4.826337      3.128265
  Mo     -3.487215     -4.268041      4.048089
  N      -2.349267     -5.630236      5.294481
  C      -1.504672     -6.593823      4.590128
  C      -2.307271     -7.099340      3.417000
  H      -1.247669     -7.443657      5.241650
  H      -0.550224     -6.140899      4.262635
  H      -3.170979     -7.663283      3.795579
  H      -1.717229     -7.758258      2.756669
  H      -6.120220     -6.331538      1.861346
  H      -5.356210     -6.889244      3.359705
  H      -3.984278     -5.787134      0.878939
  H      -3.828548     -7.442236      1.504912
  H      -1.393743     -3.468959      0.862666
  H      -2.973964     -4.150720      0.447537
  H      -0.887779     -5.188628      2.438863
  H      -1.500100     -6.013551      0.982732
  C      -3.125950     -1.920806      2.069166
  C      -2.843369     -1.383790      0.783405
  C      -3.010577     -0.049300      0.440711
  C      -2.703583      0.326717     -0.961063
  O      -2.182564     -0.450401     -1.762014
  C      -3.508640      0.876031      1.422751
  C      -3.682074      2.326555      1.247602
  O      -3.353942      3.005090      0.280768
  C      -3.840267      0.371827      2.666496
  C      -3.685851     -0.987894      3.035376
  C      -4.146957     -1.345153      4.315612
  O      -4.142165     -2.543781      4.791495
  C      -6.398019     -4.063546      3.001368
  C      -6.856178     -3.289640      4.103191
  C      -8.064746     -2.610621      4.117430
  C      -8.351234     -1.921966      5.397463
  O      -9.335676     -1.251944      5.673858
  C      -8.922081     -2.646645      2.969357
  C     -10.243882     -2.002316      2.880930
  O     -10.964948     -2.087656      1.887390
  C      -8.442268     -3.324459      1.849190
  C      -7.207203     -3.985868      1.801898
  C      -6.768902     -4.307645      0.443067
  O      -5.655339     -4.665251      0.083645
  C      -2.097098     -5.421481      6.599323
  C      -0.883765     -5.838382      7.228019
  C      -0.579309     -5.503065      8.533674
  C       0.727429     -6.005584      9.060257
  O       1.698369     -6.242382      8.345025
  C      -1.516570     -4.782113      9.348796
  C      -1.220718     -4.307759     10.698239
  O      -0.112555     -4.321479     11.229180
  C      -2.759104     -4.494262      8.799824
  C      -3.067303     -4.777913      7.461348
  C      -4.422267     -4.661007      7.020032
  O      -4.802056     -4.799683      5.838766
  H      -2.495860     -2.028560     -0.022105
  H      -2.981598      1.355295     -1.256430
  H      -4.165197      2.815041      2.136073
  H      -4.252583      1.056215      3.415301
  H      -4.598287     -0.576267      4.955258
  H      -6.270810     -3.306703      5.017750
  H      -7.528954     -2.060034      6.155812
  H     -10.574173     -1.437548      3.771645
  H      -9.055229     -3.291905      0.940208
  H      -7.560536     -4.127720     -0.321760
  H      -0.124943     -6.385367      6.664044
  H       0.756805     -6.190533     10.141350
  H      -2.100874     -3.893895     11.241337
  H      -3.521708     -4.014211      9.424389
  H      -5.196943     -4.508159      7.800171
  N      -1.497075     -3.124420      4.741177
  H      -1.497384     -2.909165      5.743469
  H      -1.449942     -2.230073      4.241852
  H      -0.619942     -3.616170      4.541634
  N      -4.985326     -8.028217      5.965813
  N      -4.926763     -8.407981      6.997186
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970355311063
  N      -2.876168     -3.228022      2.351059
  C      -2.242433     -4.003871      1.277894
  C      -1.763790     -5.330095      1.818348
  N      -2.829000     -5.932534      2.653256
  C      -3.966933     -6.370293      1.785660
  C      -5.260315     -6.148383      2.528579
  N      -5.270001     -4.811448      3.130345
  Mo     -3.484187     -4.252375      4.048648
  N      -2.350839     -5.617872      5.299718
  C      -1.509278     -6.585479      4.598722
  C      -2.309343     -7.087650      3.423489
  H      -1.258418     -7.435973      5.250959
  H      -0.551843     -6.137084      4.274887
  H      -3.175981     -7.650178      3.794627
  H      -1.716055     -7.747864      2.768331
  H      -6.114221     -6.313153      1.859742
  H      -5.356116     -6.874377      3.357390
  H      -3.980212     -5.756370      0.883304
  H      -3.825227     -7.423361      1.496938
  H      -1.371339     -3.464549      0.873851
  H      -2.948694     -4.142403      0.441800
  H      -0.877710     -5.183365      2.450082
  H      -1.488373     -6.012012      0.994660
  C      -3.117005     -1.915082      2.053051
  C      -2.828496     -1.384974      0.766423
  C      -2.994857     -0.053895      0.413067
  C      -2.674730      0.319225     -0.985847
  O      -2.155318     -0.459813     -1.783127
  C      -3.502860      0.875529      1.383223
  C      -3.681944      2.321604      1.196132
  O      -3.360395      2.993420      0.223397
  C      -3.843216      0.377912      2.629080
  C      -3.688197     -0.978173      3.008600
  C      -4.151323     -1.329367      4.289305
  O      -4.145742     -2.524157      4.775990
  C      -6.405208     -4.057028      3.008742
  C      -6.869353     -3.296270      4.113514
  C      -8.090494     -2.630135      4.132605
  C      -8.386044     -1.954615      5.415964
  O      -9.366842     -1.281675      5.695857
  C      -8.948521     -2.664311      2.985134
  C     -10.277927     -2.029042      2.900890
  O     -10.997692     -2.107021      1.906182
  C      -8.461532     -3.329384      1.862688
  C      -7.219063     -3.980847      1.810593
  C      -6.773399     -4.290676      0.451983
  O      -5.644499     -4.620149      0.086514
  C      -2.096255     -5.410828      6.603633
  C      -0.882925     -5.836835      7.231539
  C      -0.575835     -5.525147      8.542111
  C       0.727628     -6.046173      9.069919
  O       1.691230     -6.249122      8.348679
  C      -1.509403     -4.814357      9.363557
  C      -1.211768     -4.363221     10.720148
  O      -0.108817     -4.388093     11.257687
  C      -2.748421     -4.502209      8.810351
  C      -3.058938     -4.764642      7.468513
  C      -4.412062     -4.629056      7.027632
  O      -4.800343     -4.764911      5.848295
  H      -2.471784     -2.030573     -0.032666
  H      -2.938439      1.353347     -1.282643
  H      -4.162055      2.813300      2.081743
  H      -4.259311      1.065391      3.371554
  H      -4.606041     -0.556370      4.922118
  H      -6.278287     -3.312204      5.026667
  H      -7.577452     -2.107333      6.173392
  H     -10.608866     -1.469418      3.795000
  H      -9.074007     -3.293315      0.954999
  H      -7.573815     -4.122868     -0.310963
  H      -0.127823     -6.382177      6.664818
  H       0.752295     -6.283227     10.153056
  H      -2.093223     -3.954170     11.263544
  H      -3.507915     -4.023594      9.436893
  H      -5.180135     -4.469483      7.810174
  N      -1.495710     -3.107837      4.744048
  H      -1.497403     -2.895968      5.746727
  H      -1.450234     -2.213561      4.246758
  H      -0.619102     -3.598349      4.546560
  N      -4.982120     -8.000057      5.965903
  N      -4.914164     -8.386620      6.996105
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970217510859
  N      -2.880048     -3.231547      2.350471
  C      -2.245739     -4.004997      1.275565
  C      -1.765477     -5.330984      1.814583
  N      -2.830388     -5.935716      2.649877
  C      -3.967880     -6.374543      1.783160
  C      -5.261318     -6.156247      2.527279
  N      -5.274480     -4.820455      3.131496
  Mo     -3.487708     -4.258004      4.045796
  N      -2.351053     -5.622006      5.297119
  C      -1.508661     -6.588452      4.595067
  C      -2.307498     -7.091215      3.418308
  H      -1.256802     -7.439673      5.246116
  H      -0.552048     -6.137587      4.271683
  H      -3.172355     -7.657099      3.787727
  H      -1.712708     -7.748285      2.761945
  H      -6.116790     -6.322646      1.860332
  H      -5.354199     -6.883438      3.356435
  H      -3.982660     -5.760539      0.879732
  H      -3.823961     -7.427896      1.491364
  H      -1.375817     -3.463935      0.871040
  H      -2.952974     -4.144070      0.439711
  H      -0.878773     -5.184537      2.446170
  H      -1.490531     -6.011946      0.989498
  C      -3.121002     -1.918529      2.053082
  C      -2.827605     -1.386157      0.767918
  C      -2.991616     -0.055045      0.416028
  C      -2.675945      0.318784     -0.984568
  O      -2.147585     -0.450516     -1.782265
  C      -3.499660      0.872954      1.387877
  C      -3.666499      2.321179      1.205061
  O      -3.323298      2.997391      0.240316
  C      -3.846894      0.372949      2.631696
  C      -3.694858     -0.983778      3.008887
  C      -4.161741     -1.337387      4.288242
  O      -4.152639     -2.531816      4.773847
  C      -6.410879     -4.066656      3.011764
  C      -6.876464     -3.308400      4.117019
  C      -8.089992     -2.634204      4.136962
  C      -8.380542     -1.956046      5.420713
  O      -9.361957     -1.283210      5.701262
  C      -8.941972     -2.659989      2.990071
  C     -10.265432     -2.018188      2.906540
  O     -10.987443     -2.101149      1.911491
  C      -8.457351     -3.326457      1.867445
  C      -7.220626     -3.984478      1.814155
  C      -6.769384     -4.286148      0.455383
  O      -5.639183     -4.615242      0.089545
  C      -2.098164     -5.415072      6.601675
  C      -0.884117     -5.832382      7.228894
  C      -0.579810     -5.519754      8.539525
  C       0.723521     -6.022848      9.065764
  O       1.690258     -6.215945      8.345204
  C      -1.514586     -4.814037      9.361009
  C      -1.215732     -4.356110     10.715349
  O      -0.113481     -4.404492     11.257633
  C      -2.752919     -4.501824      8.806436
  C      -3.061675     -4.766871      7.464544
  C      -4.414851     -4.635921      7.024345
  O      -4.802090     -4.774117      5.845847
  H      -2.470278     -2.031396     -0.032689
  H      -2.954356      1.346712     -1.283507
  H      -4.154279      2.810949      2.086623
  H      -4.263399      1.059544      3.375184
  H      -4.622144     -0.566741      4.921496
  H      -6.289097     -3.328978      5.029297
  H      -7.560670     -2.101176      6.176707
  H     -10.591895     -1.454388      3.798296
  H      -9.061914     -3.280453      0.960108
  H      -7.561195     -4.106676     -0.306143
  H      -0.127104     -6.366570      6.660862
  H       0.750697     -6.259869     10.151448
  H      -2.106352     -3.912005     11.253719
  H      -3.513261     -4.024250      9.432166
  H      -5.182202     -4.479229      7.807465
  N      -1.502969     -3.110676      4.744622
  H      -1.502556     -2.906636      5.747995
  H      -1.462553     -2.213177      4.255149
  H      -0.626285     -3.594773      4.541158
  N      -4.972736     -8.001643      5.969522
  N      -4.904002     -8.380558      7.003449
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970419970529
  N      -2.878898     -3.229518      2.349619
  C      -2.247176     -4.005209      1.274968
  C      -1.767007     -5.331236      1.814608
  N      -2.831086     -5.935290      2.650646
  C      -3.969344     -6.375677      1.784953
  C      -5.261944     -6.153548      2.528684
  N      -5.272723     -4.816689      3.129887
  Mo     -3.486935     -4.255666      4.045741
  N      -2.352037     -5.619714      5.297320
  C      -1.509228     -6.586165      4.596078
  C      -2.308603     -7.089751      3.420462
  H      -1.257024     -7.436504      5.248113
  H      -0.552368     -6.135977      4.272519
  H      -3.174169     -7.654421      3.791790
  H      -1.714018     -7.748102      2.764652
  H      -6.116271     -6.318681      1.861045
  H      -5.356087     -6.879067      3.358121
  H      -3.983191     -5.765014      0.880634
  H      -3.827245     -7.429514      1.498736
  H      -1.376633     -3.465867      0.869138
  H      -2.955309     -4.144026      0.440194
  H      -0.880062     -5.184206      2.445424
  H      -1.492301     -6.012619      0.990038
  C      -3.118576     -1.915973      2.053294
  C      -2.827102     -1.383133      0.768157
  C      -2.989864     -0.051245      0.417959
  C      -2.665009      0.326051     -0.979562
  O      -2.143762     -0.449216     -1.777951
  C      -3.497337      0.876341      1.389805
  C      -3.671744      2.322824      1.206188
  O      -3.344782      2.996031      0.236105
  C      -3.840952      0.376352      2.634149
  C      -3.689066     -0.980421      3.010697
  C      -4.154509     -1.333433      4.290242
  O      -4.148920     -2.528547      4.775308
  C      -6.409211     -4.063294      3.009291
  C      -6.873251     -3.302142      4.113498
  C      -8.090831     -2.632619      4.132981
  C      -8.382112     -1.952085      5.415052
  O      -9.363705     -1.279842      5.694433
  C      -8.947571     -2.665810      2.987005
  C     -10.273838     -2.027593      2.903475
  O     -10.994973     -2.109272      1.909371
  C      -8.463003     -3.333629      1.865156
  C      -7.222375     -3.986883      1.812279
  C      -6.775492     -4.295678      0.454023
  O      -5.647402     -4.627069      0.088324
  C      -2.098108     -5.411936      6.601226
  C      -0.884034     -5.832582      7.228370
  C      -0.578246     -5.518251      8.538438
  C       0.725115     -6.032874      9.065546
  O       1.690648     -6.239318      8.345418
  C      -1.512671     -4.808824      9.359730
  C      -1.214450     -4.354873     10.715455
  O      -0.109668     -4.385949     11.252775
  C      -2.751915     -4.499108      8.806768
  C      -3.061652     -4.764815      7.465245
  C      -4.414919     -4.633295      7.025399
  O      -4.802633     -4.770934      5.846534
  H      -2.469750     -2.027011     -0.032371
  H      -2.925553      1.362220     -1.273955
  H      -4.152692      2.812269      2.091712
  H      -4.256491      1.062685      3.378067
  H      -4.610922     -0.561296      4.923642
  H      -6.282975     -3.317887      5.025339
  H      -7.566084     -2.097573      6.171519
  H     -10.603524     -1.466046      3.796738
  H      -9.073540     -3.295734      0.958375
  H      -7.574784     -4.127119     -0.307958
  H      -0.127793     -6.373957      6.661243
  H       0.750959     -6.265685     10.149482
  H      -2.097251     -3.936876     11.258453
  H      -3.512004     -4.021734      9.433205
  H      -5.182472     -4.475545      7.808624
  N      -1.498855     -3.109912      4.742097
  H      -1.497166     -2.905051      5.745480
  H      -1.457951     -2.212448      4.252002
  H      -0.622544     -3.595441      4.538437
  N      -4.975278     -8.001671      5.969495
  N      -4.908385     -8.378000      7.004918
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970416811316
  N      -2.877525     -3.226918      2.348505
  C      -2.250679     -4.003423      1.271817
  C      -1.768544     -5.328961      1.810223
  N      -2.829665     -5.932791      2.649731
  C      -3.968902     -6.374446      1.786648
  C      -5.260801     -6.152050      2.532290
  N      -5.270470     -4.812729      3.129072
  Mo     -3.484033     -4.251864      4.045032
  N      -2.350059     -5.616651      5.296275
  C      -1.505027     -6.580404      4.594103
  C      -2.304774     -7.085947      3.419793
  H      -1.249719     -7.430248      5.245542
  H      -0.550177     -6.127572      4.269001
  H      -3.168989     -7.650698      3.793469
  H      -1.711098     -7.744743      2.763673
  H      -6.116963     -6.321777      1.867301
  H      -5.351562     -6.874619      3.365115
  H      -3.985128     -5.764686      0.882003
  H      -3.826563     -7.428073      1.501140
  H      -1.382315     -3.464441      0.861013
  H      -2.962646     -4.143147      0.440858
  H      -0.880181     -5.181122      2.438633
  H      -1.495421     -6.010272      0.985338
  C      -3.114003     -1.912454      2.054155
  C      -2.828092     -1.381780      0.767034
  C      -2.989715     -0.049013      0.417100
  C      -2.682607      0.321836     -0.985308
  O      -2.164683     -0.455382     -1.785324
  C      -3.487974      0.881769      1.392388
  C      -3.652400      2.331592      1.210819
  O      -3.316364      3.005768      0.243160
  C      -3.828207      0.383095      2.637651
  C      -3.679050     -0.975321      3.013246
  C      -4.143033     -1.328109      4.293512
  O      -4.141888     -2.524330      4.776596
  C      -6.406080     -4.059244      3.007703
  C      -6.866921     -3.291263      4.109263
  C      -8.088590     -2.627711      4.129578
  C      -8.379344     -1.944160      5.409984
  O      -9.362798     -1.275427      5.691302
  C      -8.951441     -2.671942      2.986721
  C     -10.283339     -2.042853      2.905294
  O     -11.008159     -2.131497      1.914688
  C      -8.467546     -3.342404      1.865899
  C      -7.224355     -3.991111      1.812272
  C      -6.782640     -4.305724      0.453373
  O      -5.654745     -4.634138      0.085808
  C      -2.098078     -5.410708      6.601097
  C      -0.885279     -5.834545      7.230940
  C      -0.581594     -5.523022      8.542391
  C       0.721896     -6.037342      9.071614
  O       1.686815     -6.237160      8.351508
  C      -1.518131     -4.815798      9.362685
  C      -1.223668     -4.363516     10.719710
  O      -0.122304     -4.392366     11.260618
  C      -2.756723     -4.506122      8.807428
  C      -3.064044     -4.767402      7.464472
  C      -4.416651     -4.633467      7.020432
  O      -4.801435     -4.769418      5.839994
  H      -2.480930     -2.029623     -0.035625
  H      -2.958035      1.350968     -1.283135
  H      -4.133854      2.824717      2.095643
  H      -4.238667      1.071759      3.383110
  H      -4.594854     -0.555196      4.928867
  H      -6.273467     -3.300177      5.019804
  H      -7.562617     -2.084714      6.163217
  H     -10.612001     -1.478683      3.797037
  H      -9.083426     -3.313291      0.960694
  H      -7.584335     -4.141882     -0.307430
  H      -0.127655     -6.375919      6.665016
  H       0.746130     -6.270936     10.155099
  H      -2.110375     -3.947093     11.260329
  H      -3.518371     -4.030246      9.432929
  H      -5.187211     -4.475529      7.800888
  N      -1.493394     -3.108862      4.739716
  H      -1.491047     -2.903491      5.743894
  H      -1.451152     -2.211048      4.249334
  H      -0.617482     -3.596789      4.535348
  N      -4.971496     -8.007259      5.975390
  N      -4.903983     -8.375773      7.011601
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970455424917
  N      -2.879212     -3.227925      2.347927
  C      -2.252907     -4.004544      1.271002
  C      -1.770801     -5.330284      1.809433
  N      -2.831906     -5.934452      2.648613
  C      -3.971667     -6.376199      1.785569
  C      -5.262906     -6.153864      2.532021
  N      -5.273362     -4.814079      3.127582
  Mo     -3.486791     -4.253685      4.044374
  N      -2.351793     -5.618106      5.295393
  C      -1.507001     -6.581932      4.593068
  C      -2.306787     -7.087409      3.418576
  H      -1.251407     -7.431794      5.244376
  H      -0.552045     -6.129076      4.267900
  H      -3.170684     -7.652798      3.791621
  H      -1.712409     -7.745781      2.762674
  H      -6.118864     -6.323444      1.867136
  H      -5.353572     -6.876114      3.364884
  H      -3.988236     -5.765388      0.880911
  H      -3.829417     -7.430299      1.499522
  H      -1.384150     -3.466065      0.860824
  H      -2.964855     -4.143622      0.439601
  H      -0.882291     -5.182430      2.437681
  H      -1.497887     -6.011710      0.984436
  C      -3.114491     -1.913050      2.054112
  C      -2.825585     -1.380340      0.768493
  C      -2.982743     -0.046899      0.420695
  C      -2.664592      0.329150     -0.978440
  O      -2.149594     -0.448509     -1.779342
  C      -3.481601      0.882258      1.395993
  C      -3.646841      2.330804      1.215487
  O      -3.314530      3.004468      0.247195
  C      -3.824888      0.382071      2.640181
  C      -3.678948     -0.976529      3.014112
  C      -4.145100     -1.329984      4.293283
  O      -4.145560     -2.526172      4.776278
  C      -6.410123     -4.062289      3.006784
  C      -6.870794     -3.294372      4.108221
  C      -8.092223     -2.631192      4.129336
  C      -8.381691     -1.945895      5.409163
  O      -9.365722     -1.278156      5.690668
  C      -8.955549     -2.676396      2.987698
  C     -10.287550     -2.048195      2.907362
  O     -11.013140     -2.138737      1.917204
  C      -8.472124     -3.347110      1.866920
  C      -7.228483     -3.994760      1.812325
  C      -6.786083     -4.308643      0.453675
  O      -5.658048     -4.636683      0.085502
  C      -2.099144     -5.411154      6.599823
  C      -0.885557     -5.832143      7.228387
  C      -0.581253     -5.518635      8.539112
  C       0.722367     -6.031817      9.067400
  O       1.688293     -6.234760      8.347662
  C      -1.517070     -4.810309      9.359531
  C      -1.221017     -4.355703     10.715467
  O      -0.117956     -4.384974     11.254354
  C      -2.755957     -4.501344      8.805194
  C      -3.064128     -4.765976      7.463149
  C      -4.417028     -4.633587      7.021245
  O      -4.803707     -4.770478      5.841773
  H      -2.475987     -2.025874     -0.034268
  H      -2.926287      1.364412     -1.272303
  H      -4.125325      2.822271      2.101859
  H      -4.235338      1.069527      3.385953
  H      -4.596994     -0.556850      4.928365
  H      -6.275757     -3.301148      5.017807
  H      -7.562955     -2.083684      6.161482
  H     -10.615913     -1.483671      3.799076
  H      -9.087630     -3.317828      0.962464
  H      -7.587269     -4.144479     -0.306322
  H      -0.128288     -6.372915      6.662001
  H       0.747918     -6.263522     10.151464
  H      -2.106255     -3.938152     11.257224
  H      -3.517132     -4.024162      9.430764
  H      -5.185867     -4.475708      7.803262
  N      -1.496392     -3.109278      4.739100
  H      -1.492672     -2.906712      5.743552
  H      -1.456422     -2.210219      4.251177
  H      -0.620354     -3.595300      4.532283
  N      -4.969116     -8.006203      5.976899
  N      -4.899488     -8.370780      7.015131
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970472081376
  N      -2.880048     -3.226353      2.344806
  C      -2.259539     -4.004423      1.265238
  C      -1.774028     -5.329108      1.803142
  N      -2.832202     -5.934475      2.645911
  C      -3.972979     -6.381564      1.787378
  C      -5.262750     -6.157461      2.535291
  N      -5.273836     -4.816947      3.127785
  Mo     -3.487266     -4.252943      4.039714
  N      -2.351626     -5.615536      5.292515
  C      -1.503595     -6.576239      4.590390
  C      -2.301873     -7.085287      3.416345
  H      -1.244949     -7.425183      5.241610
  H      -0.550474     -6.119328      4.265561
  H      -3.164129     -7.653943      3.790060
  H      -1.704848     -7.741029      2.760339
  H      -6.119597     -6.329023      1.872774
  H      -5.350418     -6.877439      3.370287
  H      -3.991044     -5.777677      0.878926
  H      -3.830516     -7.436894      1.507630
  H      -1.392644     -3.466563      0.849423
  H      -2.976295     -4.144985      0.438136
  H      -0.883689     -5.179727      2.428796
  H      -1.502855     -6.010659      0.977523
  C      -3.113432     -1.910725      2.052802
  C      -2.825948     -1.376630      0.767344
  C      -2.980102     -0.042440      0.422672
  C      -2.668378      0.334977     -0.977356
  O      -2.153662     -0.438159     -1.781002
  C      -3.472476      0.886456      1.401109
  C      -3.627622      2.336454      1.224898
  O      -3.288183      3.010777      0.259204
  C      -3.815623      0.384997      2.644766
  C      -3.674225     -0.974676      3.015376
  C      -4.141246     -1.329364      4.293914
  O      -4.143750     -2.526221      4.774609
  C      -6.412697     -4.067313      3.007899
  C      -6.872265     -3.295859      4.106561
  C      -8.092267     -2.632112      4.127943
  C      -8.376270     -1.937488      5.404206
  O      -9.361316     -1.270895      5.685027
  C      -8.956715     -2.682397      2.989717
  C     -10.286829     -2.053807      2.910541
  O     -11.015213     -2.151494      1.922845
  C      -8.476737     -3.358670      1.871099
  C      -7.233744     -4.005707      1.815533
  C      -6.792158     -4.322250      0.457360
  O      -5.662873     -4.646283      0.087283
  C      -2.101078     -5.409017      6.597214
  C      -0.887462     -5.827939      7.226801
  C      -0.586027     -5.516093      8.538494
  C       0.716513     -6.029702      9.068506
  O       1.682795     -6.233728      8.349938
  C      -1.524613     -4.810941      9.358658
  C      -1.231731     -4.360026     10.716603
  O      -0.127871     -4.387190     11.256412
  C      -2.763200     -4.502559      8.802741
  C      -3.068557     -4.765676      7.459768
  C      -4.420776     -4.634839      7.016569
  O      -4.805696     -4.772300      5.836700
  H      -2.481793     -2.021889     -0.038126
  H      -2.934274      1.369443     -1.269042
  H      -4.103699      2.827692      2.111958
  H      -4.221216      1.072611      3.393199
  H      -4.592130     -0.556484      4.930316
  H      -6.275860     -3.297327      5.013601
  H      -7.549051     -2.063993      6.154067
  H     -10.613834     -1.485815      3.800566
  H      -9.092831     -3.332514      0.968601
  H      -7.599253     -4.169105     -0.301235
  H      -0.128183     -6.366404      6.660857
  H       0.739762     -6.264330     10.152245
  H      -2.116689     -3.948858     11.258308
  H      -3.526258     -4.028202      9.427977
  H      -5.190671     -4.477481      7.797755
  N      -1.495221     -3.108989      4.734689
  H      -1.487980     -2.912692      5.740075
  H      -1.459148     -2.206626      4.252719
  H      -0.618998     -3.590962      4.521190
  N      -4.954844     -8.004954      5.984597
  N      -4.887823     -8.348814      7.031449
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970537135583
  N      -2.882397     -3.224256      2.340768
  C      -2.271431     -4.004475      1.257544
  C      -1.782940     -5.328916      1.793805
  N      -2.836361     -5.934863      2.641649
  C      -3.979928     -6.385875      1.788283
  C      -5.266581     -6.159735      2.540818
  N      -5.277630     -4.814765      3.123563
  Mo     -3.489724     -4.251114      4.035941
  N      -2.353196     -5.613281      5.288276
  C      -1.502434     -6.570546      4.584760
  C      -2.301127     -7.083058      3.412216
  H      -1.238459     -7.418415      5.235284
  H      -0.551701     -6.110086      4.257710
  H      -3.160527     -7.654241      3.788313
  H      -1.703306     -7.737822      2.755762
  H      -6.125488     -6.336792      1.882495
  H      -5.349526     -6.874409      3.380701
  H      -4.001873     -5.784415      0.877769
  H      -3.837927     -7.442555      1.512148
  H      -1.406619     -3.468874      0.834975
  H      -2.994576     -4.144841      0.435757
  H      -0.889764     -5.178222      2.415055
  H      -1.515077     -6.010688      0.967318
  C      -3.107649     -1.906211      2.053102
  C      -2.819468     -1.369469      0.768880
  C      -2.959943     -0.032210      0.430562
  C      -2.641459      0.350527     -0.967304
  O      -2.138450     -0.426374     -1.775392
  C      -3.441939      0.896547      1.413858
  C      -3.585564      2.347774      1.243603
  O      -3.243784      3.021816      0.279454
  C      -3.788501      0.392827      2.655914
  C      -3.658933     -0.969503      3.020740
  C      -4.129132     -1.325508      4.297721
  O      -4.141744     -2.523912      4.774981
  C      -6.419004     -4.069591      3.004116
  C      -6.874369     -3.288571      4.098055
  C      -8.100436     -2.635022      4.122280
  C      -8.380157     -1.929700      5.393530
  O      -9.369385     -1.270389      5.676601
  C      -8.975070     -2.704929      2.991986
  C     -10.312439     -2.090438      2.918157
  O     -11.046977     -2.202033      1.936718
  C      -8.497447     -3.386714      1.875614
  C      -7.248635     -4.023321      1.816789
  C      -6.813134     -4.347718      0.458828
  O      -5.684575     -4.668150      0.084869
  C      -2.103667     -5.406968      6.593214
  C      -0.889871     -5.823281      7.223241
  C      -0.590022     -5.511125      8.535253
  C       0.712593     -6.022716      9.065961
  O       1.680867     -6.227737      8.348746
  C      -1.529802     -4.807420      9.354848
  C      -1.237864     -4.355557     10.712739
  O      -0.134153     -4.383198     11.252901
  C      -2.768099     -4.500548      8.798145
  C      -3.072139     -4.764322      7.454955
  C      -4.424117     -4.634164      7.011236
  O      -4.809169     -4.772095      5.831452
  H      -2.482507     -2.013923     -0.039957
  H      -2.889162      1.392735     -1.252760
  H      -4.055128      2.839300      2.133749
  H      -4.187368      1.080557      3.407573
  H      -4.573962     -0.550849      4.936265
  H      -6.270360     -3.274746      5.000423
  H      -7.546631     -2.041091      6.136813
  H     -10.638309     -1.518282      3.806357
  H      -9.121358     -3.374744      0.977545
  H      -7.623778     -4.202941     -0.295785
  H      -0.129425     -6.359843      6.657671
  H       0.736575     -6.254718     10.150495
  H      -2.124737     -3.943200     11.254381
  H      -3.532095     -4.027336      9.422803
  H      -5.193733     -4.477656      7.792512
  N      -1.494360     -3.107891      4.728100
  H      -1.479307     -2.922529      5.734952
  H      -1.464299     -2.200312      4.256133
  H      -0.619358     -3.585424      4.502767
  N      -4.940023     -8.007853      5.997713
  N      -4.871084     -8.324926      7.053086
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970648661477
  N      -2.887542     -3.218389      2.331137
  C      -2.304405     -4.003675      1.236856
  C      -1.804615     -5.326186      1.767842
  N      -2.843321     -5.934857      2.630638
  C      -3.994232     -6.397484      1.792024
  C      -5.273475     -6.166557      2.555945
  N      -5.284975     -4.810022      3.112646
  Mo     -3.493924     -4.246302      4.026223
  N      -2.354481     -5.607022      5.277895
  C      -1.493904     -6.551698      4.570300
  C      -2.291785     -7.074742      3.401395
  H      -1.214026     -7.396588      5.217944
  H      -0.551474     -6.078042      4.238072
  H      -3.142106     -7.654945      3.782013
  H      -1.689572     -7.724798      2.744478
  H      -6.137413     -6.359396      1.909232
  H      -5.343485     -6.866338      3.409010
  H      -4.027390     -5.802727      0.875497
  H      -3.852214     -7.457640      1.524555
  H      -1.448496     -3.472810      0.792561
  H      -3.047111     -4.145757      0.432615
  H      -0.903611     -5.170488      2.376255
  H      -1.545556     -6.008466      0.939088
  C      -3.093865     -1.894755      2.055154
  C      -2.812668     -1.353346      0.771691
  C      -2.922972     -0.009617      0.448425
  C      -2.613412      0.380205     -0.949742
  O      -2.140329     -0.401687     -1.771617
  C      -3.369474      0.920278      1.446951
  C      -3.475742      2.376033      1.292874
  O      -3.119471      3.049980      0.334715
  C      -3.718285      0.412306      2.686609
  C      -3.618386     -0.956711      3.036397
  C      -4.094116     -1.315970      4.310243
  O      -4.133186     -2.518267      4.777651
  C      -6.430845     -4.075417      2.993343
  C      -6.873035     -3.265354      4.072175
  C      -8.110518     -2.634406      4.104452
  C      -8.375778     -1.896923      5.360420
  O      -9.373814     -1.254971      5.650784
  C      -9.009917     -2.755613      2.997824
  C     -10.364767     -2.177584      2.940075
  O     -11.118052     -2.330595      1.977949
  C      -8.540240     -3.454407      1.888433
  C      -7.280833     -4.068255      1.820257
  C      -6.860949     -4.413426      0.462684
  O      -5.732643     -4.719429      0.076654
  C      -2.110845     -5.402919      6.584351
  C      -0.897613     -5.814432      7.218518
  C      -0.604959     -5.503956      8.532683
  C       0.697838     -6.010647      9.067813
  O       1.669731     -6.212597      8.354126
  C      -1.551340     -4.805653      9.349331
  C      -1.268040     -4.353150     10.708879
  O      -0.167104     -4.373555     11.253218
  C      -2.788219     -4.502898      8.787518
  C      -3.085140     -4.765787      7.442779
  C      -4.435420     -4.635528      6.993797
  O      -4.818656     -4.772940      5.813206
  H      -2.504058     -1.998276     -0.047657
  H      -2.840433      1.430750     -1.222830
  H      -3.928169      2.870769      2.189936
  H      -4.094893      1.101240      3.447964
  H      -4.521149     -0.537539      4.955951
  H      -6.249201     -3.209779      4.960155
  H      -7.522044     -1.964181      6.082845
  H     -10.684671     -1.591028      3.820834
  H      -9.181413     -3.477033      1.003264
  H      -7.683418     -4.295203     -0.281447
  H      -0.132142     -6.346356      6.655226
  H       0.720108     -6.237369     10.152894
  H      -2.161215     -3.948115     11.247908
  H      -3.557124     -4.032186      9.409030
  H      -5.207236     -4.479464      7.772773
  N      -1.489025     -3.105666      4.711596
  H      -1.456889     -2.944418      5.722691
  H      -1.472126     -2.186437      4.261509
  H      -0.616076     -3.573707      4.458123
  N      -4.891166     -8.012854      6.029098
  N      -4.818119     -8.253546      7.103397
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970717970261
  N      -2.891653     -3.210221      2.319941
  C      -2.336407     -4.001004      1.215385
  C      -1.824711     -5.321157      1.741096
  N      -2.848217     -5.932602      2.620138
  C      -4.005058     -6.410136      1.798478
  C      -5.277190     -6.172346      2.572374
  N      -5.288366     -4.806386      3.105618
  Mo     -3.494405     -4.238448      4.014127
  N      -2.354046     -5.596457      5.266851
  C      -1.482943     -6.528809      4.556049
  C      -2.279134     -7.064032      3.391025
  H      -1.187715     -7.369869      5.201880
  H      -0.548728     -6.042043      4.219530
  H      -3.120907     -7.653646      3.777637
  H      -1.672403     -7.708403      2.732290
  H      -6.146898     -6.379806      1.937669
  H      -5.334121     -6.858233      3.438136
  H      -4.048229     -5.830810      0.873375
  H      -3.862831     -7.473444      1.547214
  H      -1.490229     -3.474493      0.747452
  H      -3.099258     -4.146140      0.430729
  H      -0.915607     -5.160423      2.336231
  H      -1.574878     -6.003575      0.909820
  C      -3.080499     -1.881693      2.054842
  C      -2.806792     -1.335841      0.771473
  C      -2.891179      0.013141      0.461941
  C      -2.598827      0.407935     -0.938575
  O      -2.149612     -0.374712     -1.773176
  C      -3.302372      0.943536      1.475398
  C      -3.367473      2.403912      1.337421
  O      -2.991444      3.077297      0.386064
  C      -3.651707      0.431882      2.713176
  C      -3.579181     -0.942814      3.048923
  C      -4.058428     -1.304913      4.320927
  O      -4.119619     -2.510661      4.777788
  C      -6.439449     -4.080885      2.986549
  C      -6.871458     -3.244076      4.049407
  C      -8.120026     -2.634125      4.088730
  C      -8.372863     -1.865188      5.328247
  O      -9.378911     -1.238522      5.624783
  C      -9.040675     -2.803080      3.005268
  C     -10.407446     -2.253647      2.961363
  O     -11.175551     -2.442986      2.018199
  C      -8.579795     -3.521060      1.904218
  C      -7.310570     -4.113803      1.827783
  C      -6.907003     -4.481777      0.471536
  O      -5.780233     -4.777071      0.074727
  C      -2.117210     -5.395773      6.575132
  C      -0.905489     -5.803641      7.214204
  C      -0.621743     -5.498443      8.531743
  C       0.679752     -6.002054      9.072401
  O       1.655507     -6.199284      8.362897
  C      -1.575900     -4.809287      9.346182
  C      -1.302756     -4.362473     10.709834
  O      -0.205219     -4.379528     11.260708
  C      -2.810698     -4.508890      8.778389
  C      -3.098933     -4.765920      7.430526
  C      -4.446896     -4.636217      6.974101
  O      -4.824112     -4.773096      5.791233
  H      -2.527111     -1.981351     -0.058206
  H      -2.816537      1.462940     -1.201385
  H      -3.804700      2.902525      2.240332
  H      -4.005239      1.122299      3.484582
  H      -4.469044     -0.524092      4.974118
  H      -6.231807     -3.150602      4.922768
  H      -7.501598     -1.891745      6.030964
  H     -10.723141     -1.653865      3.835087
  H      -9.238512     -3.579113      1.032153
  H      -7.743999     -4.394831     -0.261648
  H      -0.134136     -6.328748      6.653215
  H       0.698365     -6.230974     10.158038
  H      -2.202944     -3.965425     11.245772
  H      -3.585136     -4.045064      9.397465
  H      -5.223278     -4.482196      7.748975
  N      -1.480691     -3.102325      4.692735
  H      -1.430469     -2.965366      5.706524
  H      -1.475920     -2.172133      4.265009
  H      -0.610595     -3.559559      4.411590
  N      -4.840207     -8.015848      6.060948
  N      -4.777187     -8.175605      7.151657
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970757231334
  N      -2.892461     -3.207099      2.316766
  C      -2.348810     -3.999711      1.207820
  C      -1.830862     -5.318262      1.731208
  N      -2.847214     -5.931518      2.617417
  C      -4.006636     -6.415924      1.802890
  C      -5.277000     -6.174345      2.578597
  N      -5.288337     -4.805136      3.103075
  Mo     -3.492909     -4.235446      4.011064
  N      -2.352719     -5.592827      5.264254
  C      -1.475957     -6.518489      4.552671
  C      -2.268950     -7.059006      3.388139
  H      -1.174021     -7.357896      5.197442
  H      -0.545446     -6.024934      4.215883
  H      -3.105726     -7.655601      3.775122
  H      -1.657751     -7.698894      2.729223
  H      -6.147407     -6.385996      1.946831
  H      -5.332255     -6.855425      3.447896
  H      -4.053806     -5.843340      0.873566
  H      -3.864145     -7.480873      1.558712
  H      -1.507835     -3.474203      0.729238
  H      -3.120491     -4.147254      0.432138
  H      -0.918365     -5.154530      2.320520
  H      -1.584711     -6.001036      0.899133
  C      -3.077124     -1.877433      2.054988
  C      -2.809690     -1.331157      0.770263
  C      -2.888132      0.019261      0.464302
  C      -2.611922      0.413437     -0.939532
  O      -2.170127     -0.367649     -1.779583
  C      -3.285218      0.950762      1.483618
  C      -3.334728      2.412993      1.350509
  O      -2.949119      3.085307      0.401635
  C      -3.631654      0.438790      2.721850
  C      -3.566537     -0.937813      3.053350
  C      -4.043226     -1.300222      4.326142
  O      -4.111631     -2.507172      4.779652
  C      -6.440365     -4.082442      2.983160
  C      -6.866685     -3.233164      4.038272
  C      -8.117695     -2.628941      4.080938
  C      -8.362640     -1.843947      5.312011
  O      -9.370043     -1.221003      5.611021
  C      -9.046428     -2.816275      3.008318
  C     -10.417179     -2.277144      2.971209
  O     -11.192564     -2.482410      2.037221
  C      -8.589856     -3.542278      1.910853
  C      -7.318798     -4.129411      1.830579
  C      -6.921575     -4.506071      0.474815
  O      -5.795119     -4.796662      0.072706
  C      -2.120218     -5.394166      6.573385
  C      -0.909694     -5.803262      7.215990
  C      -0.630365     -5.501930      8.535383
  C       0.670980     -6.004689      9.079003
  O       1.646807     -6.200179      8.370789
  C      -1.588842     -4.817232      9.348529
  C      -1.322586     -4.375469     10.715218
  O      -0.227980     -4.389070     11.271572
  C      -2.822097     -4.516189      8.776663
  C      -3.105538     -4.767777      7.426796
  C      -4.451897     -4.635247      6.965785
  O      -4.826348     -4.771119      5.781731
  H      -2.542169     -1.978109     -0.063372
  H      -2.837666      1.466110     -1.200344
  H      -3.767856      2.914459      2.254359
  H      -3.975663      1.130453      3.497340
  H      -4.446315     -0.518095      4.982985
  H      -6.220190     -3.124526      4.904017
  H      -7.482029     -1.852325      6.004980
  H     -10.729643     -1.670903      3.841027
  H      -9.253987     -3.611852      1.044493
  H      -7.764884     -4.431256     -0.253695
  H      -0.135524     -6.326779      6.656338
  H       0.686971     -6.231858     10.163827
  H      -2.226505     -3.986108     11.248184
  H      -3.599342     -4.055641      9.394177
  H      -5.230362     -4.481112      7.738326
  N      -1.475049     -3.102254      4.686714
  H      -1.416344     -2.977288      5.701533
  H      -1.475557     -2.167383      4.269187
  H      -0.606690     -3.554016      4.391634
  N      -4.808968     -8.010626      6.066595
  N      -4.755214     -8.133490      7.161046
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970779518631
  N      -2.893149     -3.206169      2.316404
  C      -2.351940     -3.998936      1.206228
  C      -1.831292     -5.316659      1.728575
  N      -2.845269     -5.930777      2.617111
  C      -4.005091     -6.417582      1.804934
  C      -5.275111     -6.175307      2.581511
  N      -5.286040     -4.805196      3.103707
  Mo     -3.489941     -4.234594      4.010820
  N      -2.350255     -5.591467      5.263497
  C      -1.471708     -6.515173      4.551590
  C      -2.264210     -7.057177      3.387962
  H      -1.168141     -7.354176      5.196141
  H      -0.542744     -6.018913      4.214381
  H      -3.100473     -7.654688      3.775443
  H      -1.652033     -7.695957      2.728743
  H      -6.146857     -6.389090      1.951259
  H      -5.329039     -6.855246      3.452781
  H      -4.053520     -5.848684      0.874108
  H      -3.861949     -7.482591      1.563544
  H      -1.513251     -3.473042      0.723967
  H      -3.126132     -4.148234      0.433623
  H      -0.917637     -5.152136      2.315900
  H      -1.586299     -5.998963      0.895864
  C      -3.078936     -1.876474      2.055427
  C      -2.818061     -1.330775      0.769471
  C      -2.897966      0.019699      0.463890
  C      -2.632396      0.412924     -0.941401
  O      -2.198110     -0.368682     -1.784517
  C      -3.286785      0.951848      1.485400
  C      -3.332504      2.414661      1.353102
  O      -2.949725      3.086565      0.402482
  C      -3.627421      0.440257      2.724873
  C      -3.563879     -0.936781      3.055364
  C      -4.038241     -1.299313      4.328989
  O      -4.106736     -2.506747      4.781047
  C      -6.437338     -4.082260      2.982328
  C      -6.861630     -3.227993      4.034582
  C      -8.111433     -2.622783      4.076792
  C      -8.354065     -1.832563      5.305122
  O      -9.361815     -1.210121      5.604791
  C      -9.041538     -2.814169      3.006506
  C     -10.411983     -2.274983      2.969480
  O     -11.189382     -2.485685      2.038264
  C      -8.587265     -3.544721      1.910796
  C      -7.317190     -4.132812      1.830806
  C      -6.922179     -4.513373      0.475101
  O      -5.795962     -4.803729      0.071966
  C      -2.120137     -5.394307      6.573491
  C      -0.910908     -5.803766      7.217473
  C      -0.634332     -5.505169      8.538265
  C       0.665984     -6.009376      9.083645
  O       1.643115     -6.199083      8.376598
  C      -1.594720     -4.822165      9.350857
  C      -1.331911     -4.382411     10.718941
  O      -0.238379     -4.395330     11.277411
  C      -2.826747     -4.520233      8.777193
  C      -3.107610     -4.769987      7.426290
  C      -4.453253     -4.637107      6.963127
  O      -4.824472     -4.771722      5.777784
  H      -2.556837     -1.978319     -0.065310
  H      -2.859651      1.465553     -1.200196
  H      -3.758693      2.917084      2.259447
  H      -3.966552      1.132169      3.501931
  H      -4.438977     -0.517757      4.987357
  H      -6.213934     -3.115705      4.898407
  H      -7.470537     -1.835582      5.994940
  H     -10.723187     -1.665345      3.836871
  H      -9.252370     -3.616944      1.045325
  H      -7.768229     -4.443733     -0.252597
  H      -0.135453     -6.325876      6.658226
  H       0.679328     -6.243986     10.168170
  H      -2.236747     -3.995254     11.250784
  H      -3.605208     -4.060129      9.394083
  H      -5.233835     -4.483036      7.734081
  N      -1.472206     -3.103829      4.684346
  H      -1.412270     -2.978125      5.699754
  H      -1.472147     -2.169323      4.265019
  H      -0.603729     -3.556928      4.388489
  N      -4.795503     -8.012606      6.071414
  N      -4.747899     -8.120221      7.167735
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970812876516
  N      -2.891224     -3.205258      2.317080
  C      -2.346851     -3.997537      1.207647
  C      -1.826720     -5.315410      1.730342
  N      -2.841536     -5.929017      2.618576
  C      -4.001451     -6.415476      1.806131
  C      -5.271768     -6.172810      2.581985
  N      -5.282693     -4.803724      3.105820
  Mo     -3.484878     -4.232940      4.012460
  N      -2.348500     -5.591450      5.264672
  C      -1.470308     -6.516208      4.553811
  C      -2.261602     -7.056626      3.389346
  H      -1.169061     -7.355764      5.198713
  H      -0.540303     -6.020665      4.218434
  H      -3.099245     -7.653841      3.775435
  H      -1.648714     -7.695039      2.730300
  H      -6.143658     -6.385500      1.951254
  H      -5.328047     -6.854552      3.452203
  H      -4.049550     -5.847344      0.874877
  H      -3.858442     -7.480464      1.564841
  H      -1.507361     -3.470680      0.726944
  H      -3.119455     -4.147390      0.433462
  H      -0.912853     -5.151658      2.317908
  H      -1.582154     -5.997769      0.897468
  C      -3.080902     -1.876633      2.053643
  C      -2.821383     -1.332240      0.766465
  C      -2.907763      0.017372      0.458004
  C      -2.645045      0.408908     -0.948032
  O      -2.209808     -0.371739     -1.791402
  C      -3.300231      0.950337      1.477805
  C      -3.353673      2.413108      1.342838
  O      -2.979567      3.085882      0.388806
  C      -3.636810      0.439918      2.718884
  C      -3.567675     -0.936303      3.052057
  C      -4.037064     -1.297519      4.327959
  O      -4.100486     -2.504711      4.781178
  C      -6.433940     -4.080350      2.983660
  C      -6.858360     -3.226550      4.035891
  C      -8.107455     -2.619444      4.077984
  C      -8.347944     -1.826870      5.305289
  O      -9.354079     -1.202208      5.604604
  C      -9.037179     -2.808735      3.007415
  C     -10.405981     -2.265489      2.969101
  O     -11.184071     -2.476647      2.038868
  C      -8.583667     -3.539607      1.911684
  C      -7.314217     -4.129663      1.831893
  C      -6.918876     -4.508684      0.475697
  O      -5.792710     -4.802047      0.073128
  C      -2.120091     -5.395932      6.575261
  C      -0.912251     -5.808169      7.220365
  C      -0.637285     -5.512635      8.542096
  C       0.662172     -6.017292      9.087827
  O       1.640103     -6.206315      8.381550
  C      -1.598344     -4.831106      9.354845
  C      -1.337773     -4.396217     10.724894
  O      -0.245362     -4.411178     11.285733
  C      -2.828653     -4.525002      8.779593
  C      -3.107869     -4.771016      7.427508
  C      -4.452662     -4.634877      6.962732
  O      -4.821150     -4.766929      5.776154
  H      -2.556737     -1.980164     -0.067110
  H      -2.875207      1.459814     -1.206681
  H      -3.777296      2.915501      2.250782
  H      -3.976818      1.132288      3.495591
  H      -4.438055     -0.516262      4.986920
  H      -6.209472     -3.114808      4.898817
  H      -7.462509     -1.828910      5.994160
  H     -10.716073     -1.654285      3.835065
  H      -9.248119     -3.609350      1.045668
  H      -7.764661     -4.437382     -0.252112
  H      -0.136515     -6.329084      6.660813
  H       0.673321     -6.254498     10.171320
  H      -2.242246     -4.010782     11.255828
  H      -3.607072     -4.064682      9.396320
  H      -5.234147     -4.480364      7.732804
  N      -1.468245     -3.107113      4.684176
  H      -1.407336     -2.980457      5.699722
  H      -1.466484     -2.173654      4.262161
  H      -0.600231     -3.562212      4.388639
  N      -4.779421     -8.012240      6.072545
  N      -4.744885     -8.104968      7.170985
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970861258629
  N      -2.890693     -3.204672      2.320908
  C      -2.344340     -3.996206      1.211833
  C      -1.822712     -5.313844      1.734054
  N      -2.836252     -5.927786      2.623468
  C      -3.997188     -6.414709      1.812162
  C      -5.267851     -6.169282      2.586333
  N      -5.277446     -4.800852      3.110729
  Mo     -3.476249     -4.232050      4.019599
  N      -2.343611     -5.592649      5.268698
  C      -1.465100     -6.517764      4.557862
  C      -2.255431     -7.056307      3.392325
  H      -1.165396     -7.358171      5.202595
  H      -0.534155     -6.022209      4.224417
  H      -3.092842     -7.654012      3.776886
  H      -1.641843     -7.692930      2.732246
  H      -6.139237     -6.379292      1.954188
  H      -5.329554     -6.852358      3.455448
  H      -4.044575     -5.848964      0.879881
  H      -3.854631     -7.479808      1.572833
  H      -1.505941     -3.467788      0.731422
  H      -3.116156     -4.147838      0.437470
  H      -0.907605     -5.150779      2.319873
  H      -1.579947     -5.995927      0.900377
  C      -3.089270     -1.878029      2.054033
  C      -2.838294     -1.336218      0.764274
  C      -2.936834      0.011507      0.450815
  C      -2.674977      0.400826     -0.955950
  O      -2.246812     -0.382244     -1.800593
  C      -3.333284      0.945875      1.468348
  C      -3.408633      2.407276      1.328011
  O      -3.063122      3.081520      0.364527
  C      -3.656850      0.437668      2.713690
  C      -3.575243     -0.936634      3.051833
  C      -4.033042     -1.295705      4.332366
  O      -4.088337     -2.502496      4.787774
  C      -6.425289     -4.074352      2.982854
  C      -6.847340     -3.214120      4.031666
  C      -8.092214     -2.600404      4.069661
  C      -8.330503     -1.800889      5.292919
  O      -9.337152     -1.174754      5.590367
  C      -9.020800     -2.789228      2.998300
  C     -10.386493     -2.239347      2.955099
  O     -11.164866     -2.455134      2.025985
  C      -8.569299     -3.525379      1.905154
  C      -7.303712     -4.122833      1.829556
  C      -6.909166     -4.506961      0.474987
  O      -5.783754     -4.807734      0.074926
  C      -2.117705     -5.399862      6.580524
  C      -0.911543     -5.816102      7.226612
  C      -0.639246     -5.527407      8.550554
  C       0.659418     -6.036019      9.096782
  O       1.639553     -6.217707      8.391787
  C      -1.601628     -4.848763      9.364161
  C      -1.344677     -4.422136     10.737593
  O      -0.254236     -4.443017     11.302515
  C      -2.829617     -4.537221      8.786914
  C      -3.106002     -4.776248      7.432638
  C      -4.449675     -4.635826      6.965829
  O      -4.814524     -4.761688      5.777306
  H      -2.568593     -1.984569     -0.067244
  H      -2.897432      1.454129     -1.213018
  H      -3.823009      2.907345      2.241404
  H      -3.997914      1.130190      3.490025
  H      -4.432686     -0.514772      4.992874
  H      -6.198974     -3.102919      4.894082
  H      -7.444441     -1.800893      5.980898
  H     -10.695275     -1.621965      3.816112
  H      -9.232042     -3.593158      1.037664
  H      -7.754886     -4.433378     -0.254383
  H      -0.135174     -6.335751      6.665875
  H       0.666920     -6.282664     10.178132
  H      -2.250483     -4.037668     11.267850
  H      -3.608131     -4.078654      9.404011
  H      -5.232064     -4.483950      7.735004
  N      -1.460339     -3.114869      4.682472
  H      -1.391753     -2.990654      5.697045
  H      -1.459314     -2.181833      4.261001
  H      -0.595650     -3.569807      4.379964
  N      -4.743846     -8.011440      6.073733
  N      -4.733626     -8.074056      7.175169
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970898530635
  N      -2.889917     -3.204325      2.322166
  C      -2.343730     -3.995721      1.213175
  C      -1.820834     -5.312928      1.735223
  N      -2.833255     -5.927068      2.625662
  C      -3.995213     -6.412892      1.814885
  C      -5.265879     -6.165636      2.588053
  N      -5.274703     -4.796820      3.111052
  Mo     -3.470327     -4.231414      4.023940
  N      -2.341112     -5.594487      5.271276
  C      -1.462097     -6.519006      4.559998
  C      -2.251720     -7.056235      3.392860
  H      -1.163378     -7.360110      5.204070
  H      -0.530785     -6.023167      4.228012
  H      -3.088724     -7.654990      3.775767
  H      -1.637580     -7.691299      2.732038
  H      -6.136741     -6.375031      1.955217
  H      -5.330301     -6.848106      3.457224
  H      -4.041949     -5.847030      0.882477
  H      -3.853427     -7.478127      1.575140
  H      -1.506538     -3.466550      0.732472
  H      -3.115484     -4.148392      0.438944
  H      -0.904808     -5.150431      2.319680
  H      -1.579315     -5.994965      0.901065
  C      -3.092208     -1.878536      2.053607
  C      -2.847460     -1.338211      0.762116
  C      -2.949842      0.008353      0.446116
  C      -2.688024      0.396117     -0.961350
  O      -2.267865     -0.390327     -1.807008
  C      -3.344899      0.943637      1.462999
  C      -3.431626      2.403824      1.320390
  O      -3.103468      3.079670      0.351841
  C      -3.661038      0.436626      2.711241
  C      -3.574826     -0.936365      3.051865
  C      -4.026321     -1.294262      4.335178
  O      -4.079109     -2.500396      4.791807
  C      -6.420565     -4.068918      2.980946
  C      -6.841170     -3.205480      4.027974
  C      -8.087050     -2.592401      4.066377
  C      -8.322912     -1.788109      5.286859
  O      -9.327814     -1.160202      5.583864
  C      -9.018551     -2.784484      2.997305
  C     -10.385705     -2.236190      2.954811
  O     -11.166794     -2.456973      2.029395
  C      -8.567252     -3.521424      1.904739
  C      -7.299552     -4.117424      1.828321
  C      -6.905024     -4.501573      0.473637
  O      -5.780179     -4.807055      0.074340
  C      -2.117470     -5.403814      6.583927
  C      -0.912559     -5.820241      7.230694
  C      -0.643494     -5.535064      8.555937
  C       0.654558     -6.042507      9.102534
  O       1.638118     -6.218285      8.399756
  C      -1.607550     -4.859112      9.369605
  C      -1.353777     -4.437264     10.745191
  O      -0.264582     -4.462105     11.312510
  C      -2.833383     -4.544364      8.790420
  C      -3.106722     -4.780080      7.435009
  C      -4.449159     -4.635445      6.965558
  O      -4.811216     -4.756500      5.775897
  H      -2.578058     -1.986804     -0.068869
  H      -2.901510      1.451789     -1.217371
  H      -3.838080      2.902041      2.238547
  H      -4.000649      1.128907      3.487725
  H      -4.423629     -0.513735      4.997296
  H      -6.190386     -3.092172      4.888959
  H      -7.434932     -1.784342      5.971910
  H     -10.692889     -1.614816      3.812595
  H      -9.231593     -3.590794      1.038232
  H      -7.747352     -4.422326     -0.255854
  H      -0.135039     -6.336632      6.669260
  H       0.659250     -6.295352     10.182431
  H      -2.260097     -4.052733     11.274746
  H      -3.612506     -4.085188      9.406986
  H      -5.233138     -4.483657      7.733175
  N      -1.454245     -3.121721      4.678846
  H      -1.381319     -2.997221      5.693434
  H      -1.453510     -2.188695      4.256771
  H      -0.591101     -3.578627      4.373335
  N      -4.709448     -8.011459      6.074056
  N      -4.718098     -8.044167      7.177085
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970923087987
  N      -2.890568     -3.205178      2.324020
  C      -2.343306     -3.996361      1.215683
  C      -1.820830     -5.313650      1.738133
  N      -2.833570     -5.928082      2.628074
  C      -3.995624     -6.411803      1.816239
  C      -5.266636     -6.164941      2.589302
  N      -5.275102     -4.796070      3.112625
  Mo     -3.469437     -4.232575      4.027739
  N      -2.341729     -5.596958      5.274305
  C      -1.462786     -6.521232      4.562042
  C      -2.252411     -7.057966      3.393964
  H      -1.163639     -7.362542      5.205501
  H      -0.531196     -6.025885      4.230075
  H      -3.088437     -7.657609      3.776906
  H      -1.638647     -7.692434      2.732251
  H      -6.137182     -6.373465      1.955472
  H      -5.331007     -6.848155      3.457855
  H      -4.041690     -5.842724      0.884910
  H      -3.854063     -7.477043      1.573819
  H      -1.505343     -3.466419      0.737162
  H      -3.113703     -4.148446      0.439690
  H      -0.905153     -5.150866      2.323009
  H      -1.578533     -5.996008      0.904509
  C      -3.095326     -1.879885      2.054085
  C      -2.850570     -1.339703      0.762332
  C      -2.956134      0.006352      0.444739
  C      -2.688481      0.394477     -0.961903
  O      -2.267507     -0.393209     -1.806033
  C      -3.356010      0.941191      1.459798
  C      -3.453930      2.399935      1.314432
  O      -3.137532      3.075868      0.342642
  C      -3.669740      0.434424      2.709323
  C      -3.578659     -0.937394      3.052098
  C      -4.026322     -1.294751      4.337049
  O      -4.076678     -2.500337      4.795477
  C      -6.419175     -4.065921      2.980288
  C      -6.839318     -3.201263      4.026968
  C      -8.084199     -2.585913      4.063125
  C      -8.322781     -1.784168      5.284455
  O      -9.328568     -1.156590      5.580424
  C      -9.014019     -2.775356      2.991753
  C     -10.380080     -2.225131      2.946694
  O     -11.159553     -2.445655      2.019713
  C      -8.562448     -3.513035      1.900029
  C      -7.296706     -4.112829      1.825923
  C      -6.901055     -4.497641      0.472478
  O      -5.776820     -4.807517      0.075714
  C      -2.116808     -5.406163      6.586639
  C      -0.911411     -5.822828      7.232480
  C      -0.641479     -5.538296      8.557604
  C       0.657310     -6.045579      9.102878
  O       1.641510     -6.220377      8.400089
  C      -1.604816     -4.862603      9.372059
  C      -1.349626     -4.442123     10.747712
  O      -0.260541     -4.470418     11.314364
  C      -2.831008     -4.546988      8.793573
  C      -3.104824     -4.781813      7.438352
  C      -4.447117     -4.636514      6.969061
  O      -4.809947     -4.755002      5.779405
  H      -2.576984     -1.987904     -0.067648
  H      -2.896827      1.451726     -1.218359
  H      -3.859050      2.896639      2.234152
  H      -4.011398      1.126707      3.485123
  H      -4.423164     -0.513927      4.999387
  H      -6.189349     -3.089373      4.890224
  H      -7.438567     -1.784095      5.971940
  H     -10.688102     -1.602090      3.802926
  H      -9.225368     -3.580612      1.032409
  H      -7.741386     -4.414698     -0.258798
  H      -0.134226     -6.338418      6.670338
  H       0.663003     -6.298566     10.182337
  H      -2.255914     -4.055576     11.278253
  H      -3.609644     -4.088016      9.410732
  H      -5.230968     -4.486852      7.736896
  N      -1.452543     -3.124998      4.678132
  H      -1.378815     -2.997404      5.692457
  H      -1.452045     -2.192332      4.255109
  H      -0.589633     -3.582688      4.372995
  N      -4.697015     -8.015671      6.073871
  N      -4.713682     -8.040003      7.176521
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970946193264
  N      -2.891003     -3.204429      2.323951
  C      -2.347644     -3.996320      1.214476
  C      -1.823255     -5.312927      1.736444
  N      -2.834189     -5.928501      2.628016
  C      -3.996908     -6.412492      1.817686
  C      -5.267353     -6.164955      2.591864
  N      -5.275128     -4.794639      3.111771
  Mo     -3.468719     -4.232965      4.028492
  N      -2.342003     -5.598040      5.275600
  C      -1.461213     -6.519154      4.561718
  C      -2.250694     -7.057337      3.393408
  H      -1.159058     -7.360205      5.203968
  H      -0.531540     -6.021237      4.228668
  H      -3.085195     -7.658813      3.776753
  H      -1.636323     -7.690661      2.731226
  H      -6.138236     -6.375468      1.959224
  H      -5.327857     -6.845402      3.462531
  H      -4.043628     -5.843442      0.886228
  H      -3.855950     -7.478013      1.575275
  H      -1.511139     -3.466245      0.733450
  H      -3.120263     -4.148558      0.440643
  H      -0.907196     -5.148660      2.320217
  H      -1.580634     -5.995557      0.903207
  C      -3.096139     -1.879225      2.054704
  C      -2.855268     -1.339617      0.762145
  C      -2.960359      0.006556      0.444921
  C      -2.692025      0.394486     -0.962179
  O      -2.273920     -0.395902     -1.805769
  C      -3.357474      0.941538      1.460735
  C      -3.458067      2.399663      1.314533
  O      -3.147285      3.074822      0.340927
  C      -3.667332      0.435079      2.711708
  C      -3.575599     -0.936459      3.054521
  C      -4.020591     -1.294208      4.340461
  O      -4.072542     -2.499791      4.799078
  C      -6.417414     -4.062798      2.977978
  C      -6.835729     -3.194297      4.022404
  C      -8.080819     -2.579274      4.058280
  C      -8.318820     -1.775349      5.278324
  O      -9.325470     -1.149552      5.574481
  C      -9.012870     -2.772669      2.988999
  C     -10.380697     -2.226231      2.945314
  O     -11.161816     -2.452239      2.020919
  C      -8.562183     -3.513269      1.898923
  C      -7.295736     -4.112163      1.824498
  C      -6.901254     -4.500339      0.471740
  O      -5.777093     -4.809932      0.074315
  C      -2.117178     -5.407558      6.588067
  C      -0.911759     -5.823437      7.234213
  C      -0.643348     -5.539933      8.560048
  C       0.655410     -6.047414      9.105766
  O       1.641153     -6.218320      8.404159
  C      -1.608008     -4.865703      9.374338
  C      -1.353726     -4.446539     10.750619
  O      -0.264577     -4.476123     11.317068
  C      -2.834357     -4.551308      8.795328
  C      -3.106546     -4.784985      7.439722
  C      -4.448279     -4.639616      6.968279
  O      -4.810239     -4.755743      5.778177
  H      -2.584732     -1.988386     -0.068665
  H      -2.897294      1.452883     -1.219429
  H      -3.860651      2.895925      2.235640
  H      -4.007535      1.127564      3.487933
  H      -4.414993     -0.513013      5.003860
  H      -6.186574     -3.081143      4.885841
  H      -7.433516     -1.771541      5.964481
  H     -10.688592     -1.600182      3.799310
  H      -9.226783     -3.584670      1.032839
  H      -7.741012     -4.417549     -0.259201
  H      -0.133272     -6.338357      6.672495
  H       0.660114     -6.304020     10.184436
  H      -2.260310     -4.059722     11.281437
  H      -3.614156     -4.094155      9.412327
  H      -5.233960     -4.492783      7.734577
  N      -1.448892     -3.128104      4.674727
  H      -1.371019     -3.003297      5.688514
  H      -1.451071     -2.193049      4.257493
  H      -0.587076     -3.582668      4.364487
  N      -4.675153     -8.024021      6.079634
  N      -4.703071     -8.025160      7.182806
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.970975252925
  N      -2.891443     -3.205613      2.325768
  C      -2.346426     -3.997360      1.217129
  C      -1.822308     -5.313572      1.740153
  N      -2.834046     -5.930299      2.630502
  C      -3.996040     -6.413104      1.818910
  C      -5.268301     -6.165365      2.590545
  N      -5.275330     -4.796370      3.113471
  Mo     -3.469380     -4.236112      4.030878
  N      -2.343712     -5.601814      5.279321
  C      -1.461688     -6.520802      4.564638
  C      -2.249951     -7.059074      3.395426
  H      -1.158448     -7.362181      5.206048
  H      -0.532565     -6.021862      4.231955
  H      -3.083090     -7.662501      3.777921
  H      -1.634217     -7.690866      2.733223
  H      -6.137368     -6.373465      1.955191
  H      -5.328257     -6.846251      3.460060
  H      -4.040820     -5.843660      0.888081
  H      -3.856128     -7.478331      1.576215
  H      -1.509465     -3.466577      0.737728
  H      -3.117569     -4.149433      0.441854
  H      -0.907575     -5.148582      2.325574
  H      -1.577383     -5.996557      0.907996
  C      -3.100356     -1.881391      2.055434
  C      -2.861903     -1.342621      0.762109
  C      -2.972100      0.002445      0.443344
  C      -2.708462      0.388703     -0.965140
  O      -2.281656     -0.399660     -1.805618
  C      -3.371572      0.936899      1.457900
  C      -3.476230      2.393959      1.308583
  O      -3.166295      3.068115      0.333741
  C      -3.677846      0.431140      2.710359
  C      -3.581006     -0.938927      3.054886
  C      -4.022976     -1.297094      4.341938
  O      -4.071678     -2.501710      4.802578
  C      -6.414105     -4.059275      2.977548
  C      -6.832837     -3.193237      4.023717
  C      -8.075247     -2.572095      4.056341
  C      -8.316152     -1.774610      5.280035
  O      -9.321737     -1.145970      5.573615
  C      -9.003888     -2.756748      2.982006
  C     -10.369722     -2.205622      2.935084
  O     -11.148314     -2.426654      2.007469
  C      -8.552432     -3.497080      1.892041
  C      -7.288277     -4.101623      1.820650
  C      -6.891803     -4.490588      0.468938
  O      -5.767977     -4.804371      0.074376
  C      -2.116717     -5.409573      6.591087
  C      -0.910249     -5.823271      7.235849
  C      -0.641207     -5.539638      8.561687
  C       0.657816     -6.047479      9.106469
  O       1.643869     -6.216152      8.404973
  C      -1.605859     -4.866623      9.376840
  C      -1.350225     -4.447948     10.753037
  O      -0.260443     -4.479462     11.317898
  C      -2.833390     -4.554372      8.799125
  C      -3.105978     -4.788253      7.443899
  C      -4.447606     -4.643375      6.972370
  O      -4.810254     -4.757556      5.782216
  H      -2.590800     -1.991615     -0.068230
  H      -2.925507      1.443105     -1.226146
  H      -3.880384      2.890577      2.228764
  H      -4.019220      1.123408      3.485642
  H      -4.417741     -0.516349      5.005157
  H      -6.188749     -3.088757      4.892315
  H      -7.436044     -1.780578      5.972775
  H     -10.679055     -1.580355      3.789149
  H      -9.215216     -3.564914      1.023880
  H      -7.729180     -4.403516     -0.264488
  H      -0.131408     -6.337305      6.673858
  H       0.663079     -6.307243     10.184657
  H      -2.255775     -4.060132     11.285100
  H      -3.613606     -4.098953      9.416861
  H      -5.234342     -4.498952      7.738258
  N      -1.447250     -3.132332      4.675559
  H      -1.371919     -3.003002      5.688973
  H      -1.448932     -2.197563      4.257340
  H      -0.584019     -3.586786      4.369520
  N      -4.659213     -8.035913      6.075684
  N      -4.701031     -8.028673      7.177504
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971008716071
  N      -2.892466     -3.203987      2.325335
  C      -2.351014     -3.996580      1.215434
  C      -1.824785     -5.311983      1.738006
  N      -2.834163     -5.930303      2.630518
  C      -3.996133     -6.415152      1.821511
  C      -5.267960     -6.167670      2.595050
  N      -5.275380     -4.797621      3.114527
  Mo     -3.468912     -4.236691      4.030484
  N      -2.345415     -5.603199      5.281021
  C      -1.460162     -6.517251      4.564689
  C      -2.246541     -7.057569      3.394876
  H      -1.152286     -7.358174      5.204452
  H      -0.533580     -6.013995      4.231542
  H      -3.077537     -7.664543      3.777035
  H      -1.628468     -7.686645      2.732271
  H      -6.138217     -6.379228      1.962084
  H      -5.320479     -6.845731      3.467844
  H      -4.043222     -5.847462      0.889859
  H      -3.856488     -7.480547      1.579748
  H      -1.515373     -3.465653      0.733095
  H      -3.124555     -4.148863      0.442553
  H      -0.909570     -5.144975      2.322149
  H      -1.579694     -5.995535      0.906520
  C      -3.102647     -1.880181      2.055288
  C      -2.868724     -1.342173      0.760794
  C      -2.981014      0.002906      0.442035
  C      -2.726761      0.387017     -0.969316
  O      -2.292834     -0.399730     -1.807544
  C      -3.377629      0.937435      1.457698
  C      -3.479697      2.394914      1.306909
  O      -3.165059      3.067027      0.331849
  C      -3.679691      0.432222      2.711580
  C      -3.580543     -0.937655      3.056135
  C      -4.018377     -1.296528      4.344982
  O      -4.065704     -2.500736      4.806193
  C      -6.411753     -4.056937      2.976218
  C      -6.828867     -3.188434      4.020431
  C      -8.069610     -2.563444      4.051090
  C      -8.311649     -1.768359      5.276101
  O      -9.317989     -1.140785      5.569497
  C      -8.997084     -2.745732      2.975973
  C     -10.361031     -2.192428      2.927758
  O     -11.140423     -2.417753      2.001764
  C      -8.547621     -3.490784      1.888536
  C      -7.286467     -4.100258      1.818869
  C      -6.890838     -4.494178      0.468524
  O      -5.767495     -4.810159      0.074182
  C      -2.117485     -5.410748      6.592607
  C      -0.911121     -5.824160      7.238004
  C      -0.644053     -5.542588      8.564734
  C       0.654110     -6.051849      9.110267
  O       1.641237     -6.216852      8.410203
  C      -1.610543     -4.872027      9.379735
  C      -1.355905     -4.456709     10.757055
  O      -0.266236     -4.490066     11.321755
  C      -2.838312     -4.559927      8.801280
  C      -3.108768     -4.791818      7.445695
  C      -4.449135     -4.646878      6.971214
  O      -4.809561     -4.758373      5.779988
  H      -2.601545     -1.992156     -0.070460
  H      -2.958020      1.437496     -1.234603
  H      -3.886246      2.892931      2.225144
  H      -4.019132      1.125486      3.487488
  H      -4.411001     -0.515335      5.009331
  H      -6.186421     -3.085045      4.891167
  H      -7.432600     -1.775695      5.970881
  H     -10.669885     -1.562929      3.778225
  H      -9.209779     -3.558898      1.020677
  H      -7.729650     -4.410983     -0.264913
  H      -0.130384     -6.336076      6.676988
  H       0.657236     -6.316823     10.186855
  H      -2.260769     -4.069780     11.289492
  H      -3.620406     -4.106867      9.418784
  H      -5.239259     -4.506109      7.734429
  N      -1.443557     -3.135583      4.674080
  H      -1.369700     -3.003478      5.688197
  H      -1.445216     -2.200292      4.255933
  H      -0.577736     -3.588724      4.370757
  N      -4.612282     -8.062852      6.090292
  N      -4.688603     -8.009521      7.190672
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971041238890
  N      -2.892450     -3.205686      2.328243
  C      -2.343733     -3.997078      1.220801
  C      -1.820205     -5.312755      1.744966
  N      -2.833400     -5.930568      2.633391
  C      -3.993277     -6.412685      1.820153
  C      -5.267248     -6.167106      2.591135
  N      -5.275067     -4.799408      3.116587
  Mo     -3.470515     -4.238974      4.032748
  N      -2.346806     -5.605831      5.283799
  C      -1.463470     -6.522086      4.568839
  C      -2.249221     -7.059708      3.398228
  H      -1.158935     -7.363940      5.209012
  H      -0.534986     -6.021171      4.237224
  H      -3.082419     -7.665658      3.778343
  H      -1.630792     -7.689405      2.736345
  H      -6.136425     -6.376231      1.955400
  H      -5.321768     -6.848186      3.461738
  H      -4.038256     -5.842735      0.890161
  H      -3.853846     -7.477277      1.575647
  H      -1.505780     -3.465478      0.742963
  H      -3.112839     -4.149311      0.443703
  H      -0.907081     -5.146816      2.332750
  H      -1.572640     -5.996131      0.914002
  C      -3.106387     -1.883349      2.055851
  C      -2.871732     -1.347135      0.760765
  C      -2.991082     -0.003417      0.438730
  C      -2.742546      0.377253     -0.974406
  O      -2.296283     -0.406695     -1.808672
  C      -3.394108      0.931463      1.451800
  C      -3.498338      2.388732      1.297618
  O      -3.175518      3.059467      0.323883
  C      -3.696442      0.427790      2.705826
  C      -3.590964     -0.941117      3.053366
  C      -4.028127     -1.299261      4.342615
  O      -4.069530     -2.502312      4.806512
  C      -6.409548     -4.055179      2.977748
  C      -6.830447     -3.195435      4.027189
  C      -8.067374     -2.562783      4.054496
  C      -8.314362     -1.779184      5.286110
  O      -9.317979     -1.146184      5.576334
  C      -8.987622     -2.729495      2.970883
  C     -10.347246     -2.166187      2.917175
  O     -11.122176     -2.380280      1.984838
  C      -8.535793     -3.470188      1.881294
  C      -7.277679     -4.086520      1.815256
  C      -6.877241     -4.475896      0.464532
  O      -5.753305     -4.794683      0.073412
  C      -2.116303     -5.411576      6.594608
  C      -0.909191     -5.826014      7.238502
  C      -0.639656     -5.543349      8.564493
  C       0.658412     -6.053852      9.108451
  O       1.644428     -6.217400      8.407036
  C      -1.604223     -4.870964      9.380359
  C      -1.346358     -4.454247     10.756620
  O      -0.255358     -4.487710     11.319150
  C      -2.832876     -4.558513      8.803778
  C      -3.106139     -4.791869      7.448898
  C      -4.447267     -4.646996      6.976806
  O      -4.808515     -4.759404      5.785785
  H      -2.600011     -1.997878     -0.068327
  H      -2.991742      1.422044     -1.245497
  H      -3.914138      2.888236      2.210798
  H      -4.040875      1.121333      3.479404
  H      -4.424812     -0.518128      5.004726
  H      -6.195039     -3.105693      4.903675
  H      -7.440870     -1.800557      5.989611
  H     -10.657452     -1.540464      3.769589
  H      -9.192608     -3.528124      1.008632
  H      -7.712543     -4.386116     -0.272333
  H      -0.129743     -6.339954      6.676990
  H       0.661710     -6.321561     10.184623
  H      -2.248559     -4.065610     11.290182
  H      -3.613859     -4.104300      9.422094
  H      -5.236739     -4.505260      7.740977
  N      -1.446730     -3.135810      4.680760
  H      -1.379494     -2.997929      5.694380
  H      -1.444687     -2.203762      4.255900
  H      -0.578709     -3.590723      4.387016
  N      -4.607072     -8.078789      6.086233
  N      -4.692630     -8.031559      7.184849
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971080899734
  N      -2.894304     -3.205766      2.329338
  C      -2.345262     -3.997116      1.221785
  C      -1.820825     -5.312562      1.745932
  N      -2.833433     -5.930615      2.634478
  C      -3.993449     -6.415101      1.821910
  C      -5.267239     -6.167735      2.592554
  N      -5.275488     -4.800382      3.117835
  Mo     -3.472396     -4.240035      4.033027
  N      -2.348013     -5.606719      5.283999
  C      -1.463690     -6.522326      4.569681
  C      -2.247545     -7.059539      3.398591
  H      -1.159578     -7.364552      5.209819
  H      -0.534559     -6.020888      4.240088
  H      -3.080247     -7.667769      3.775945
  H      -1.626422     -7.686939      2.736912
  H      -6.136150     -6.376777      1.956791
  H      -5.324209     -6.848855      3.463345
  H      -4.038810     -5.847930      0.890566
  H      -3.854392     -7.480240      1.580977
  H      -1.508110     -3.466174      0.741985
  H      -3.115346     -4.151010      0.446042
  H      -0.907221     -5.146981      2.333204
  H      -1.574399     -5.995481      0.914155
  C      -3.108766     -1.883864      2.056747
  C      -2.875544     -1.347428      0.761196
  C      -2.996824     -0.004047      0.439582
  C      -2.762887      0.376567     -0.974972
  O      -2.309247     -0.400152     -1.810960
  C      -3.396476      0.930519      1.453830
  C      -3.491218      2.388221      1.300690
  O      -3.155783      3.057710      0.329804
  C      -3.698228      0.427074      2.707468
  C      -3.593246     -0.942079      3.054299
  C      -4.028622     -1.299666      4.343964
  O      -4.069010     -2.502192      4.808212
  C      -6.409553     -4.055572      2.976735
  C      -6.830790     -3.195999      4.026140
  C      -8.065533     -2.559229      4.050982
  C      -8.313309     -1.776680      5.283379
  O      -9.315601     -1.140562      5.570938
  C      -8.983882     -2.722859      2.965196
  C     -10.341742     -2.154880      2.908406
  O     -11.115608     -2.366849      1.974863
  C      -8.532344     -3.465280      1.876329
  C      -7.275809     -4.085234      1.813103
  C      -6.875849     -4.478939      0.463321
  O      -5.752703     -4.801341      0.073005
  C      -2.117194     -5.411623      6.594739
  C      -0.909354     -5.824505      7.238039
  C      -0.639926     -5.542657      8.564250
  C       0.657819     -6.053428      9.108049
  O       1.644475     -6.214919      8.406782
  C      -1.604800     -4.871965      9.380669
  C      -1.346895     -4.455801     10.757027
  O      -0.255978     -4.488882     11.320019
  C      -2.833350     -4.560178      8.804519
  C      -3.107140     -4.793320      7.449277
  C      -4.448582     -4.648003      6.978477
  O      -4.809746     -4.759435      5.787135
  H      -2.605469     -1.997736     -0.068102
  H      -3.032590      1.414359     -1.246067
  H      -3.908758      2.891060      2.211183
  H      -4.039370      1.120572      3.481835
  H      -4.422931     -0.517664      5.006074
  H      -6.196512     -3.108750      4.903149
  H      -7.442020     -1.803080      5.990581
  H     -10.651950     -1.528867      3.759998
  H      -9.187770     -3.521347      1.002064
  H      -7.711955     -4.390466     -0.273672
  H      -0.129712     -6.337357      6.675852
  H       0.659723     -6.323797     10.183701
  H      -2.248638     -4.068131     11.290792
  H      -3.614340     -4.107168      9.423071
  H      -5.237490     -4.505140      7.743244
  N      -1.447327     -3.137169      4.683437
  H      -1.382046     -3.001467      5.697152
  H      -1.444494     -2.206325      4.256518
  H      -0.578114     -3.590921      4.391703
  N      -4.566171     -8.098518      6.090511
  N      -4.684368     -8.020439      7.184874
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971121639695
  N      -2.897323     -3.207041      2.330676
  C      -2.347460     -3.997791      1.223366
  C      -1.822628     -5.313170      1.747090
  N      -2.835160     -5.931100      2.635307
  C      -3.994759     -6.417334      1.822586
  C      -5.268149     -6.168441      2.592639
  N      -5.276739     -4.800893      3.117386
  Mo     -3.476228     -4.241166      4.033636
  N      -2.349436     -5.606988      5.283596
  C      -1.465458     -6.523680      4.569882
  C      -2.248685     -7.060251      3.398596
  H      -1.162710     -7.366147      5.210410
  H      -0.535231     -6.023087      4.241457
  H      -3.081144     -7.669428      3.774348
  H      -1.626680     -7.686368      2.736416
  H      -6.137552     -6.377978      1.957248
  H      -5.328705     -6.849809      3.463524
  H      -4.040062     -5.852438      0.890413
  H      -3.855173     -7.482699      1.584754
  H      -1.510911     -3.467181      0.742808
  H      -3.117925     -4.152892      0.448280
  H      -0.908784     -5.147988      2.334046
  H      -1.577060     -5.995250      0.914283
  C      -3.111128     -1.885033      2.058026
  C      -2.876625     -1.348725      0.762509
  C      -2.996392     -0.005130      0.441093
  C      -2.762561      0.376389     -0.973632
  O      -2.303818     -0.398340     -1.809169
  C      -3.396443      0.929660      1.455597
  C      -3.484755      2.387767      1.303063
  O      -3.137330      3.055157      0.335404
  C      -3.701198      0.426468      2.708253
  C      -3.596910     -0.943345      3.054879
  C      -4.033005     -1.300231      4.344409
  O      -4.073062     -2.502408      4.808908
  C      -6.411680     -4.057040      2.976231
  C      -6.834496     -3.200987      4.027813
  C      -8.068290     -2.562102      4.051503
  C      -8.318657     -1.784044      5.286328
  O      -9.319471     -1.144374      5.571483
  C      -8.983289     -2.719772      2.962297
  C     -10.338934     -2.146290      2.902097
  O     -11.109973     -2.352452      1.964997
  C      -8.530757     -3.459944      1.872508
  C      -7.275695     -4.083048      1.811147
  C      -6.874498     -4.476349      0.461296
  O      -5.751819     -4.801667      0.071926
  C      -2.118188     -5.411604      6.594168
  C      -0.909627     -5.824334      7.236617
  C      -0.638779     -5.541719      8.562092
  C       0.659042     -6.053007      9.105360
  O       1.645648     -6.213281      8.403596
  C      -1.602323     -4.869065      9.378611
  C      -1.341824     -4.450338     10.753537
  O      -0.249979     -4.483113     11.315377
  C      -2.830914     -4.556479      8.803361
  C      -3.107017     -4.792031      7.448786
  C      -4.449397     -4.646898      6.980678
  O      -4.811164     -4.759894      5.789755
  H      -2.605067     -1.999180     -0.066217
  H      -3.039139      1.413452     -1.246266
  H      -3.908751      2.892724      2.209131
  H      -4.042924      1.120096      3.482584
  H      -4.427007     -0.517005      5.005650
  H      -6.200262     -3.116826      4.905390
  H      -7.451080     -1.817998      5.997682
  H     -10.649731     -1.522076      3.754210
  H      -9.183399     -3.510798      0.995937
  H      -7.708990     -4.384570     -0.276494
  H      -0.131132     -6.337683      6.673696
  H       0.659827     -6.324783     10.180452
  H      -2.242569     -4.060246     11.287879
  H      -3.610724     -4.100833      9.421870
  H      -5.236053     -4.502027      7.746854
  N      -1.452245     -3.135269      4.687370
  H      -1.392116     -2.997042      5.701299
  H      -1.447538     -2.207550      4.253830
  H      -0.581184     -3.590561      4.401740
  N      -4.528148     -8.121885      6.094456
  N      -4.675131     -8.020536      7.183395
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971157823788
  N      -2.899739     -3.208340      2.331514
  C      -2.351262     -3.998741      1.223784
  C      -1.825371     -5.313883      1.746946
  N      -2.837543     -5.931645      2.635186
  C      -3.997868     -6.418080      1.822276
  C      -5.270041     -6.168430      2.593993
  N      -5.278502     -4.799785      3.116792
  Mo     -3.480153     -4.241841      4.034189
  N      -2.350582     -5.607204      5.282783
  C      -1.467238     -6.525060      4.569072
  C      -2.251264     -7.061277      3.397991
  H      -1.165815     -7.367674      5.210009
  H      -0.536441     -6.025591      4.240870
  H      -3.083948     -7.670074      3.773779
  H      -1.629817     -7.687548      2.735312
  H      -6.140709     -6.379050      1.960204
  H      -5.332567     -6.849654      3.465255
  H      -4.043691     -5.851876      0.889654
  H      -3.857566     -7.484399      1.584812
  H      -1.515680     -3.468142      0.741799
  H      -3.123029     -4.154925      0.450028
  H      -0.911289     -5.148601      2.333456
  H      -1.580293     -5.995236      0.913316
  C      -3.111779     -1.885651      2.059621
  C      -2.878268     -1.349304      0.763982
  C      -2.993368     -0.005062      0.444021
  C      -2.760859      0.378202     -0.970274
  O      -2.303089     -0.396129     -1.806956
  C      -3.388600      0.930192      1.459691
  C      -3.468516      2.388747      1.308519
  O      -3.112260      3.054253      0.343329
  C      -3.695565      0.426971      2.711560
  C      -3.595749     -0.943801      3.056908
  C      -4.034239     -1.300472      4.345551
  O      -4.077837     -2.502786      4.809430
  C      -6.414960     -4.058090      2.975863
  C      -6.839415     -3.203466      4.028362
  C      -8.073821     -2.565538      4.050854
  C      -8.326816     -1.788776      5.285864
  O      -9.326878     -1.146624      5.567958
  C      -8.986649     -2.721822      2.959448
  C     -10.341835     -2.146413      2.896049
  O     -11.109530     -2.348309      1.955265
  C      -8.532352     -3.460133      1.869414
  C      -7.277337     -4.083598      1.809828
  C      -6.874881     -4.476658      0.460356
  O      -5.752492     -4.803343      0.072428
  C      -2.119282     -5.411781      6.593317
  C      -0.909821     -5.824003      7.235260
  C      -0.637821     -5.539536      8.559839
  C       0.660540     -6.048939      9.102957
  O       1.648296     -6.208391      8.401740
  C      -1.600336     -4.865375      9.376218
  C      -1.337195     -4.443551     10.749505
  O      -0.244585     -4.475284     11.309654
  C      -2.829064     -4.553065      8.801670
  C      -3.107036     -4.791023      7.447827
  C      -4.450246     -4.647230      6.981565
  O      -4.813350     -4.761424      5.791182
  H      -2.611136     -2.000241     -0.065352
  H      -3.037921      1.416432     -1.241901
  H      -3.894161      2.895598      2.212270
  H      -4.035052      1.120692      3.486607
  H      -4.426907     -0.516252      5.006437
  H      -6.205403     -3.120058      4.906161
  H      -7.462702     -1.826536      5.999947
  H     -10.654665     -1.523958      3.748800
  H      -9.183457     -3.509100      0.991386
  H      -7.707798     -4.382633     -0.278416
  H      -0.132436     -6.338361      6.671685
  H       0.660973     -6.319661     10.178058
  H      -2.237671     -4.051979     11.284785
  H      -3.607689     -4.095725      9.420092
  H      -5.234750     -4.500201      7.749215
  N      -1.456652     -3.132667      4.689774
  H      -1.399373     -2.994423      5.703367
  H      -1.452486     -2.206059      4.254625
  H      -0.585690     -3.587963      4.405550
  N      -4.488439     -8.147565      6.100753
  N      -4.661813     -8.022393      7.183430
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971190320918
  N      -2.902637     -3.210917      2.331508
  C      -2.356252     -4.001222      1.223175
  C      -1.829422     -5.316179      1.746065
  N      -2.841047     -5.934454      2.634667
  C      -4.001756     -6.422182      1.822334
  C      -5.273273     -6.169278      2.593104
  N      -5.280175     -4.799913      3.114842
  Mo     -3.484863     -4.243915      4.033829
  N      -2.351766     -5.607538      5.281560
  C      -1.468648     -6.526037      4.567823
  C      -2.253941     -7.063401      3.397489
  H      -1.167548     -7.368084      5.209547
  H      -0.537946     -6.027190      4.238696
  H      -3.085695     -7.671505      3.775504
  H      -1.633991     -7.690212      2.734003
  H      -6.144529     -6.379063      1.959844
  H      -5.338491     -6.850163      3.464161
  H      -4.045921     -5.858610      0.888270
  H      -3.861419     -7.489202      1.588778
  H      -1.521459     -3.470294      0.740293
  H      -3.129251     -4.157823      0.450439
  H      -0.915491     -5.150042      2.332519
  H      -1.583669     -5.997172      0.912326
  C      -3.113193     -1.887389      2.060955
  C      -2.877151     -1.350075      0.765701
  C      -2.987364     -0.005146      0.447602
  C      -2.748167      0.380811     -0.965426
  O      -2.289628     -0.393866     -1.801866
  C      -3.382342      0.929634      1.464077
  C      -3.458999      2.388095      1.314549
  O      -3.099136      3.053318      0.351137
  C      -3.692613      0.425591      2.715235
  C      -3.595999     -0.945624      3.059323
  C      -4.037203     -1.302509      4.347079
  O      -4.084395     -2.505369      4.809790
  C      -6.417893     -4.059423      2.975769
  C      -6.843477     -3.207616      4.030428
  C      -8.077366     -2.569337      4.052766
  C      -8.331591     -1.794001      5.288279
  O      -9.329926     -1.147680      5.567928
  C      -8.988685     -2.722541      2.959301
  C     -10.343339     -2.144879      2.894053
  O     -11.107375     -2.339228      1.948515
  C      -8.533651     -3.458616      1.868263
  C      -7.278793     -4.082901      1.809072
  C      -6.875006     -4.473323      0.459277
  O      -5.752747     -4.801371      0.072470
  C      -2.120997     -5.411679      6.591917
  C      -0.910286     -5.821382      7.233307
  C      -0.637349     -5.534107      8.556961
  C       0.662323     -6.041044      9.100143
  O       1.651127     -6.196594      8.399462
  C      -1.599562     -4.858690      9.372983
  C      -1.333934     -4.431676     10.743991
  O      -0.239527     -4.460683     11.301043
  C      -2.829413     -4.549655      8.799391
  C      -3.108504     -4.790900      7.446389
  C      -4.452708     -4.650436      6.981161
  O      -4.816989     -4.766444      5.791550
  H      -2.610902     -2.001097     -0.064346
  H      -3.020832      1.420926     -1.236248
  H      -3.886685      2.894966      2.217777
  H      -4.031995      1.118923      3.490960
  H      -4.429299     -0.517895      5.008084
  H      -6.208673     -3.125255      4.908636
  H      -7.470895     -1.837123      6.004673
  H     -10.658136     -1.526493      3.749161
  H      -9.183882     -3.505044      0.989417
  H      -7.705423     -4.373781     -0.280604
  H      -0.133536     -6.336057      6.669261
  H       0.662741     -6.313972     10.175029
  H      -2.234123     -4.039055     11.280598
  H      -3.607428     -4.091034      9.417735
  H      -5.235596     -4.503498      7.750096
  N      -1.461607     -3.130479      4.689810
  H      -1.408045     -2.988160      5.702874
  H      -1.458044     -2.205065      4.252067
  H      -0.590730     -3.587108      4.407917
  N      -4.449879     -8.172474      6.103125
  N      -4.648615     -8.027408      7.178727
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971219278000
  N      -2.903680     -3.212474      2.331509
  C      -2.360384     -4.003027      1.222145
  C      -1.832031     -5.317311      1.744979
  N      -2.842399     -5.935953      2.634857
  C      -4.003962     -6.424246      1.824012
  C      -5.275125     -6.168744      2.594632
  N      -5.279974     -4.798825      3.115286
  Mo     -3.486333     -4.244469      4.034121
  N      -2.350974     -5.607147      5.281424
  C      -1.467373     -6.525130      4.567069
  C      -2.254052     -7.064088      3.397799
  H      -1.165515     -7.366697      5.209143
  H      -0.537962     -6.025349      4.236296
  H      -3.084767     -7.671465      3.778697
  H      -1.635702     -7.691507      2.733683
  H      -6.147479     -6.377854      1.962396
  H      -5.340863     -6.849012      3.466256
  H      -4.047277     -5.862683      0.888354
  H      -3.863915     -7.492103      1.592854
  H      -1.526963     -3.471280      0.737771
  H      -3.134877     -4.160101      0.451097
  H      -0.918083     -5.149783      2.330853
  H      -1.585706     -5.998690      0.911811
  C      -3.115097     -1.888783      2.061369
  C      -2.883737     -1.352132      0.765295
  C      -2.991807     -0.007039      0.447778
  C      -2.755788      0.378347     -0.965889
  O      -2.302670     -0.398303     -1.803235
  C      -3.380589      0.928636      1.465284
  C      -3.454113      2.387385      1.316224
  O      -3.094868      3.052366      0.352427
  C      -3.688822      0.424816      2.717191
  C      -3.594891     -0.946533      3.060721
  C      -4.037162     -1.303762      4.348105
  O      -4.087693     -2.507140      4.809742
  C      -6.417930     -4.058103      2.977014
  C      -6.845071     -3.208025      4.032382
  C      -8.078820     -2.569057      4.053207
  C      -8.333598     -1.791897      5.287241
  O      -9.329514     -1.139992      5.562750
  C      -8.987616     -2.719425      2.957171
  C     -10.340940     -2.138644      2.888748
  O     -11.100719     -2.325516      1.938226
  C      -8.530858     -3.454088      1.866157
  C      -7.276596     -4.079810      1.808548
  C      -6.870611     -4.468237      0.459057
  O      -5.747914     -4.796947      0.074467
  C      -2.121439     -5.411782      6.591956
  C      -0.910604     -5.821050      7.234351
  C      -0.638638     -5.533141      8.557971
  C       0.661476     -6.037994      9.102760
  O       1.652289     -6.191147      8.404409
  C      -1.601846     -4.858518      9.373294
  C      -1.335619     -4.431505     10.744064
  O      -0.240725     -4.459120     11.299687
  C      -2.831949     -4.550447      8.798964
  C      -3.109950     -4.791669      7.446033
  C      -4.454113     -4.653661      6.979294
  O      -4.818212     -4.770724      5.789810
  H      -2.624147     -2.004381     -0.065981
  H      -3.024957      1.420002     -1.235974
  H      -3.878727      2.893799      2.220640
  H      -4.024990      1.118409      3.493839
  H      -4.428559     -0.519727      5.009758
  H      -6.212991     -3.128741      4.912279
  H      -7.475568     -1.838414      6.006305
  H     -10.658750     -1.524237      3.746117
  H      -9.179764     -3.498797      0.986253
  H      -7.698905     -4.364968     -0.282757
  H      -0.133679     -6.335441      6.670542
  H       0.660477     -6.312253     10.176738
  H      -2.236367     -4.040251     11.281498
  H      -3.610286     -4.092508      9.417089
  H      -5.237240     -4.507908      7.747965
  N      -1.463499     -3.128765      4.689304
  H      -1.412737     -2.981756      5.701719
  H      -1.460035     -2.203968      4.250133
  H      -0.593452     -3.587607      4.409565
  N      -4.397409     -8.200576      6.108853
  N      -4.628897     -8.028649      7.174593
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971219725247
  N      -2.903155     -3.215890      2.331066
  C      -2.360236     -4.006587      1.221393
  C      -1.833074     -5.321006      1.745062
  N      -2.844451     -5.938874      2.634337
  C      -4.006289     -6.425258      1.822695
  C      -5.278340     -6.167848      2.590907
  N      -5.280299     -4.799160      3.114721
  Mo     -3.488537     -4.245861      4.033230
  N      -2.349731     -5.606570      5.280037
  C      -1.468187     -6.527077      4.566522
  C      -2.258054     -7.066659      3.399340
  H      -1.167640     -7.367995      5.210113
  H      -0.538882     -6.029104      4.233260
  H      -3.089398     -7.669762      3.785731
  H      -1.643628     -7.698109      2.735602
  H      -6.150395     -6.372451      1.957190
  H      -5.346965     -6.849708      3.459968
  H      -4.046425     -5.863619      0.886354
  H      -3.867535     -7.493633      1.591332
  H      -1.525917     -3.474127      0.739048
  H      -3.133731     -4.162255      0.449201
  H      -0.920066     -5.152829      2.332165
  H      -1.585049     -6.003423      0.913359
  C      -3.114681     -1.891993      2.061291
  C      -2.881141     -1.354561      0.766005
  C      -2.987718     -0.009274      0.449096
  C      -2.745769      0.376301     -0.963426
  O      -2.299206     -0.403134     -1.801435
  C      -3.377205      0.926397      1.466341
  C      -3.453948      2.385372      1.318611
  O      -3.101523      3.053257      0.354045
  C      -3.687326      0.421667      2.717665
  C      -3.595762     -0.949707      3.060584
  C      -4.043365     -1.307792      4.345838
  O      -4.097039     -2.512331      4.805789
  C      -6.419458     -4.058671      2.979869
  C      -6.849703     -3.214410      4.038350
  C      -8.083011     -2.574953      4.059128
  C      -8.337090     -1.796486      5.292201
  O      -9.329087     -1.137159      5.564686
  C      -8.988556     -2.719693      2.959816
  C     -10.340256     -2.135398      2.889848
  O     -11.094194     -2.307294      1.931756
  C      -8.529177     -3.449676      1.866710
  C      -7.274947     -4.075479      1.809204
  C      -6.865181     -4.456010      0.458733
  O      -5.741437     -4.783605      0.076769
  C      -2.121221     -5.410695      6.590266
  C      -0.909970     -5.818383      7.233034
  C      -0.637202     -5.526609      8.555640
  C       0.664435     -6.027311      9.101092
  O       1.655307     -6.179905      8.403233
  C      -1.600598     -4.851440      9.370292
  C      -1.333154     -4.420625     10.739578
  O      -0.236742     -4.443401     11.292254
  C      -2.832058     -4.547481      8.796389
  C      -3.109831     -4.791108      7.444063
  C      -4.454440     -4.658634      6.977491
  O      -4.820247     -4.779489      5.788854
  H      -2.621999     -2.006733     -0.065866
  H      -3.002507      1.420921     -1.231271
  H      -3.875535      2.888631      2.226399
  H      -4.024816      1.114769      3.494259
  H      -4.438243     -0.525548      5.007326
  H      -6.220117     -3.138952      4.920362
  H      -7.481267     -1.847938      6.013301
  H     -10.661985     -1.531151      3.754287
  H      -9.176282     -3.490634      0.985420
  H      -7.691188     -4.347601     -0.285507
  H      -0.133602     -6.333865      6.669464
  H       0.664876     -6.300599     10.175476
  H      -2.234131     -4.032046     11.278146
  H      -3.610379     -4.090105      9.414716
  H      -5.236465     -4.513782      7.747805
  N      -1.468721     -3.124783      4.690874
  H      -1.421838     -2.970963      5.702320
  H      -1.463226     -2.201115      4.248992
  H      -0.600349     -3.588264      4.414714
  N      -4.388113     -8.217178      6.105657
  N      -4.618258     -8.052859      7.168939
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971254230364
  N      -2.903512     -3.216329      2.331619
  C      -2.361537     -4.007459      1.221283
  C      -1.834177     -5.321908      1.744757
  N      -2.844684     -5.940893      2.634683
  C      -4.006583     -6.428368      1.824671
  C      -5.278877     -6.168702      2.592360
  N      -5.279645     -4.800211      3.115710
  Mo     -3.487282     -4.247430      4.033789
  N      -2.349612     -5.608754      5.280522
  C      -1.467680     -6.528419      4.566744
  C      -2.256980     -7.068383      3.399027
  H      -1.165840     -7.369068      5.209958
  H      -0.538949     -6.029319      4.233348
  H      -3.087923     -7.673085      3.784895
  H      -1.641593     -7.698862      2.735055
  H      -6.150537     -6.371831      1.958006
  H      -5.346816     -6.850607      3.462182
  H      -4.046642     -5.869692      0.886831
  H      -3.869501     -7.497165      1.595593
  H      -1.527164     -3.475025      0.738489
  H      -3.135595     -4.162678      0.449488
  H      -0.920817     -5.153266      2.331496
  H      -1.586203     -6.004679      0.913346
  C      -3.116984     -1.893135      2.061671
  C      -2.883041     -1.355194      0.766175
  C      -2.994296     -0.010318      0.448664
  C      -2.753434      0.374557     -0.964578
  O      -2.304774     -0.404083     -1.802343
  C      -3.387313      0.924654      1.465937
  C      -3.471563      2.383280      1.317518
  O      -3.127598      3.052663      0.350548
  C      -3.693950      0.419755      2.718282
  C      -3.598035     -0.951026      3.061770
  C      -4.042221     -1.309323      4.348322
  O      -4.093532     -2.514103      4.808185
  C      -6.416954     -4.056797      2.979432
  C      -6.846190     -3.211804      4.037487
  C      -8.076427     -2.567248      4.057062
  C      -8.328429     -1.787278      5.289623
  O      -9.317972     -1.123855      5.561076
  C      -8.981621     -2.709134      2.957181
  C     -10.331573     -2.121616      2.886770
  O     -11.085029     -2.290408      1.927686
  C      -8.524447     -3.442499      1.864999
  C      -7.271934     -4.071960      1.808348
  C      -6.862866     -4.454403      0.458092
  O      -5.739795     -4.786002      0.076766
  C      -2.121278     -5.412360      6.590920
  C      -0.910564     -5.818453      7.234295
  C      -0.639758     -5.526713      8.557539
  C       0.661630     -6.026376      9.103504
  O       1.653808     -6.171150      8.406666
  C      -1.604934     -4.853069      9.371775
  C      -1.339290     -4.422107     10.741420
  O      -0.242466     -4.444304     11.293924
  C      -2.836535     -4.551003      8.797374
  C      -3.112154     -4.794226      7.444440
  C      -4.456510     -4.662541      6.975896
  O      -4.820537     -4.782092      5.786742
  H      -2.620284     -2.006590     -0.065602
  H      -3.012974      1.417088     -1.232733
  H      -3.891459      2.885502      2.227762
  H      -4.032685      1.112661      3.495053
  H      -4.436641     -0.527472      5.011063
  H      -6.217023     -3.137411      4.920459
  H      -7.473005     -1.841502      6.011728
  H     -10.653202     -1.518771      3.751837
  H      -9.171475     -3.482727      0.983592
  H      -7.688898     -4.345136     -0.286426
  H      -0.132717     -6.333156      6.671427
  H       0.660840     -6.308084     10.176982
  H      -2.239611     -4.035475     11.280192
  H      -3.616178     -4.094707      9.415461
  H      -5.241497     -4.519452      7.744265
  N      -1.466071     -3.129682      4.690122
  H      -1.417349     -2.975355      5.701281
  H      -1.459011     -2.205957      4.248238
  H      -0.598333     -3.593875      4.413329
  N      -4.340235     -8.235039      6.112078
  N      -4.608113     -8.040373      7.164970
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971268607308
  N      -2.903424     -3.214396      2.330814
  C      -2.360893     -4.005988      1.220818
  C      -1.833589     -5.320423      1.744350
  N      -2.843588     -5.938706      2.635159
  C      -4.005189     -6.427062      1.825872
  C      -5.277675     -6.168885      2.594036
  N      -5.279884     -4.800039      3.116226
  Mo     -3.485779     -4.245189      4.033244
  N      -2.349051     -5.606358      5.280583
  C      -1.466305     -6.524987      4.566749
  C      -2.254625     -7.065446      3.399327
  H      -1.162968     -7.365439      5.209506
  H      -0.537910     -6.024798      4.233397
  H      -3.084853     -7.671381      3.783802
  H      -1.637771     -7.694830      2.735730
  H      -6.149443     -6.374546      1.960050
  H      -5.343614     -6.849501      3.465302
  H      -4.046767     -5.868964      0.888831
  H      -3.867847     -7.495026      1.596443
  H      -1.526564     -3.474533      0.737392
  H      -3.135135     -4.161269      0.449420
  H      -0.919488     -5.152159      2.329981
  H      -1.587106     -6.003474      0.912670
  C      -3.116061     -1.891277      2.060230
  C      -2.882991     -1.353554      0.765009
  C      -2.994369     -0.008639      0.446972
  C      -2.755181      0.375952     -0.966191
  O      -2.310110     -0.403135     -1.805173
  C      -3.386246      0.926494      1.463983
  C      -3.469381      2.385195      1.315188
  O      -3.125606      3.053996      0.347639
  C      -3.692976      0.421790      2.716065
  C      -3.597633     -0.949225      3.059693
  C      -4.041098     -1.307232      4.346369
  O      -4.091187     -2.511640      4.806831
  C      -6.417106     -4.056982      2.978778
  C      -6.845022     -3.209540      4.035092
  C      -8.076202     -2.565966      4.055101
  C      -8.327201     -1.784765      5.287250
  O      -9.317978     -1.123993      5.560437
  C      -8.983294     -2.711384      2.957336
  C     -10.334490     -2.126606      2.888995
  O     -11.090605     -2.300256      1.932926
  C      -8.526817     -3.446315      1.865916
  C      -7.274174     -4.074942      1.808755
  C      -6.866975     -4.460936      0.458792
  O      -5.743867     -4.791089      0.075570
  C      -2.120381     -5.410426      6.591059
  C      -0.910285     -5.818879      7.234947
  C      -0.639982     -5.530062      8.558962
  C       0.660613     -6.032604      9.105238
  O       1.651933     -6.183101      8.407861
  C      -1.605344     -4.857549      9.373363
  C      -1.341165     -4.431369     10.744860
  O      -0.245949     -4.455439     11.300038
  C      -2.836200     -4.552640      8.798175
  C      -3.111415     -4.793051      7.444568
  C      -4.455441     -4.659862      6.976108
  O      -4.818702     -4.779289      5.786476
  H      -2.619486     -2.004432     -0.066274
  H      -3.013054      1.419603     -1.233628
  H      -3.886897      2.887939      2.225414
  H      -4.030634      1.114955      3.492524
  H      -4.434928     -0.525137      5.008711
  H      -6.215660     -3.133186      4.917003
  H      -7.469292     -1.835439      6.007481
  H     -10.654429     -1.521982      3.753239
  H      -9.174446     -3.488430      0.985236
  H      -7.694377     -4.354826     -0.284224
  H      -0.132005     -6.332703      6.672291
  H       0.659225     -6.309390     10.178591
  H      -2.242549     -4.044875     11.282545
  H      -3.616373     -4.098083      9.416336
  H      -5.240515     -4.518336      7.744099
  N      -1.464908     -3.128720      4.689251
  H      -1.414052     -2.976805      5.701200
  H      -1.456682     -2.205191      4.247006
  H      -0.596515     -3.592901      4.412567
  N      -4.356018     -8.223477      6.114568
  N      -4.610686     -8.034182      7.171247
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971279011816
  N      -2.903430     -3.214622      2.330914
  C      -2.360688     -4.006340      1.220896
  C      -1.834047     -5.321063      1.744241
  N      -2.844200     -5.939036      2.634953
  C      -4.005852     -6.426753      1.825519
  C      -5.278618     -6.169244      2.593760
  N      -5.281004     -4.800775      3.116371
  Mo     -3.486006     -4.245336      4.033038
  N      -2.349102     -5.606692      5.280090
  C      -1.467107     -6.526030      4.566443
  C      -2.255815     -7.065993      3.399215
  H      -1.163800     -7.366560      5.209197
  H      -0.538393     -6.026481      4.232919
  H      -3.086447     -7.671658      3.783456
  H      -1.638948     -7.695917      2.736055
  H      -6.149590     -6.374191      1.958813
  H      -5.344821     -6.850217      3.464600
  H      -4.047970     -5.867184      0.888895
  H      -3.869080     -7.494765      1.594411
  H      -1.525848     -3.475423      0.737830
  H      -3.134815     -4.160927      0.449315
  H      -0.919725     -5.153267      2.329677
  H      -1.588195     -6.004208      0.912452
  C      -3.115242     -1.891462      2.060339
  C      -2.880367     -1.353256      0.765830
  C      -2.992027     -0.008280      0.447775
  C      -2.750010      0.376288     -0.964920
  O      -2.307196     -0.403813     -1.804354
  C      -3.385720      0.926676      1.464584
  C      -3.471106      2.385498      1.316236
  O      -3.130088      3.055336      0.348330
  C      -3.693487      0.421572      2.716129
  C      -3.598104     -0.949650      3.059502
  C      -4.042776     -1.308043      4.345524
  O      -4.092458     -2.512675      4.805788
  C      -6.418002     -4.057434      2.978735
  C      -6.845899     -3.210328      4.035210
  C      -8.076969     -2.566218      4.055272
  C      -8.327003     -1.784434      5.287259
  O      -9.316670     -1.121952      5.560251
  C      -8.983890     -2.710799      2.957415
  C     -10.334867     -2.125802      2.889793
  O     -11.090183     -2.295981      1.932564
  C      -8.527352     -3.445529      1.865810
  C      -7.274954     -4.074607      1.808725
  C      -6.868222     -4.461406      0.458799
  O      -5.745493     -4.792569      0.075675
  C      -2.119990     -5.410256      6.590487
  C      -0.909987     -5.817986      7.234200
  C      -0.639525     -5.528350      8.558063
  C       0.661198     -6.030152      9.104126
  O       1.652037     -6.181322      8.406167
  C      -1.604948     -4.855735      9.372334
  C      -1.341248     -4.428819     10.743786
  O      -0.246111     -4.452203     11.299346
  C      -2.835971     -4.551568      8.797297
  C      -3.111248     -4.792915      7.443792
  C      -4.455513     -4.661016      6.975923
  O      -4.819093     -4.781369      5.786403
  H      -2.614437     -2.003450     -0.065230
  H      -3.002953      1.421269     -1.231592
  H      -3.888122      2.887285      2.227246
  H      -4.032594      1.114506      3.492222
  H      -4.437785     -0.526330      5.007680
  H      -6.216991     -3.134407      4.917360
  H      -7.469352     -1.836561      6.007750
  H     -10.655363     -1.524393      3.756436
  H      -9.174913     -3.487412      0.984978
  H      -7.696113     -4.356022     -0.284115
  H      -0.131578     -6.331579      6.671694
  H       0.660633     -6.305783     10.178008
  H      -2.242822     -4.042732     11.281212
  H      -3.616490     -4.097011      9.415385
  H      -5.240693     -4.519755      7.744025
  N      -1.465649     -3.128835      4.690515
  H      -1.413981     -2.977721      5.702551
  H      -1.455472     -2.205494      4.247948
  H      -0.597734     -3.594182      4.414059
  N      -4.350653     -8.228428      6.116678
  N      -4.607586     -8.037042      7.172034
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971294475366
  N      -2.907608     -3.218427      2.331817
  C      -2.360716     -4.007782      1.221858
  C      -1.832397     -5.322335      1.744057
  N      -2.842133     -5.943428      2.633137
  C      -4.001778     -6.432729      1.821846
  C      -5.277161     -6.180202      2.588309
  N      -5.283727     -4.813070      3.113630
  Mo     -3.488626     -4.252489      4.031781
  N      -2.349121     -5.611380      5.278853
  C      -1.465215     -6.528909      4.565499
  C      -2.251902     -7.069576      3.397193
  H      -1.159742     -7.368986      5.207870
  H      -0.537091     -6.027512      4.232761
  H      -3.081724     -7.677883      3.779074
  H      -1.632241     -7.697708      2.734787
  H      -6.145044     -6.385369      1.949521
  H      -5.343892     -6.863028      3.457660
  H      -4.045116     -5.870406      0.886859
  H      -3.862645     -7.499743      1.587265
  H      -1.525715     -3.475198      0.740851
  H      -3.133321     -4.162456      0.448788
  H      -0.918685     -5.153718      2.330255
  H      -1.585021     -6.003943      0.911431
  C      -3.120838     -1.895223      2.062550
  C      -2.881866     -1.353854      0.770360
  C      -2.997162     -0.008670      0.453712
  C      -2.747461      0.378920     -0.956672
  O      -2.304523     -0.400489     -1.797104
  C      -3.399485      0.923284      1.470195
  C      -3.493314      2.381957      1.323770
  O      -3.156759      3.055410      0.356846
  C      -3.709826      0.415091      2.719675
  C      -3.610225     -0.956476      3.061450
  C      -4.056873     -1.318090      4.345668
  O      -4.101830     -2.523597      4.804418
  C      -6.420779     -4.069704      2.977552
  C      -6.841239     -3.219377      4.034111
  C      -8.065303     -2.562110      4.054030
  C      -8.303604     -1.773939      5.284410
  O      -9.281113     -1.092361      5.554469
  C      -8.974402     -2.697720      2.956940
  C     -10.315369     -2.089849      2.888596
  O     -11.068942     -2.234868      1.925645
  C      -8.527617     -3.441739      1.867350
  C      -7.281245     -4.083204      1.809809
  C      -6.881130     -4.476684      0.459653
  O      -5.761300     -4.813564      0.073432
  C      -2.120131     -5.412583      6.589200
  C      -0.908838     -5.814058      7.233387
  C      -0.639518     -5.520408      8.556771
  C       0.663487     -6.014928      9.103327
  O       1.653827     -6.165149      8.404351
  C      -1.607921     -4.850504      9.369787
  C      -1.347626     -4.420136     10.740975
  O      -0.252777     -4.436348     11.297714
  C      -2.840285     -4.553043      8.794424
  C      -3.114428     -4.798049      7.441269
  C      -4.459496     -4.673268      6.973746
  O      -4.822077     -4.796731      5.784126
  H      -2.608071     -2.000910     -0.060490
  H      -2.993988      1.426067     -1.220852
  H      -3.911782      2.880280      2.236109
  H      -4.054874      1.105733      3.495251
  H      -4.457115     -0.538899      5.007693
  H      -6.210057     -3.146308      4.915045
  H      -7.447542     -1.839394      6.005877
  H     -10.611803     -1.456181      3.747285
  H      -9.175786     -3.477742      0.986609
  H      -7.709276     -4.362977     -0.281817
  H      -0.127738     -6.324884      6.671876
  H       0.666709     -6.282350     10.179753
  H      -2.251350     -4.036791     11.276701
  H      -3.623387     -4.101349      9.411590
  H      -5.246035     -4.535142      7.741132
  N      -1.472408     -3.131333      4.693097
  H      -1.418813     -2.983970      5.705677
  H      -1.461901     -2.207220      4.252326
  H      -0.603824     -3.594989      4.415412
  N      -4.325262     -8.246115      6.126539
  N      -4.589717     -8.044507      7.178241
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971326383281
  N      -2.913271     -3.222639      2.333728
  C      -2.363191     -4.009385      1.223413
  C      -1.832978     -5.323925      1.744001
  N      -2.841985     -5.948209      2.631912
  C      -4.000072     -6.438943      1.819179
  C      -5.277571     -6.190865      2.584053
  N      -5.287576     -4.825035      3.112164
  Mo     -3.492203     -4.260168      4.031681
  N      -2.349633     -5.616609      5.278176
  C      -1.464157     -6.532301      4.564559
  C      -2.249605     -7.073699      3.395446
  H      -1.156577     -7.371919      5.206538
  H      -0.536820     -6.029148      4.232096
  H      -3.078403     -7.684379      3.775827
  H      -1.627990     -7.700034      2.733092
  H      -6.142761     -6.396059      1.941829
  H      -5.345146     -6.875634      3.451770
  H      -4.044401     -5.874353      0.885699
  H      -3.858300     -7.504874      1.581775
  H      -1.528332     -3.474823      0.744155
  H      -3.134652     -4.164040      0.449105
  H      -0.919740     -5.154606      2.330749
  H      -1.584119     -6.003748      0.910341
  C      -3.127598     -1.899043      2.066441
  C      -2.885179     -1.354389      0.776369
  C      -3.002974     -0.008841      0.461736
  C      -2.746025      0.382383     -0.946179
  O      -2.301848     -0.395785     -1.787430
  C      -3.412575      0.919968      1.478269
  C      -3.513266      2.378452      1.334121
  O      -3.181295      3.055180      0.368058
  C      -3.725135      0.408538      2.725850
  C      -3.621892     -0.963321      3.065735
  C      -4.069630     -1.328158      4.348543
  O      -4.110469     -2.534613      4.805378
  C      -6.424002     -4.080811      2.975898
  C      -6.839763     -3.228347      4.032487
  C      -8.054585     -2.554594      4.048228
  C      -8.283352     -1.761355      5.277354
  O      -9.247047     -1.058150      5.542099
  C      -8.961538     -2.676796      2.947671
  C     -10.287461     -2.036998      2.871393
  O     -11.058669     -2.197560      1.924765
  C      -8.523847     -3.432548      1.862331
  C      -7.285054     -4.089571      1.808240
  C      -6.888206     -4.489692      0.458892
  O      -5.772759     -4.842324      0.074281
  C      -2.120058     -5.415239      6.588229
  C      -0.906789     -5.810345      7.232069
  C      -0.637321     -5.511805      8.554491
  C       0.668706     -5.998423      9.100659
  O       1.656241     -6.153441      8.398760
  C      -1.607901     -4.843956      9.366752
  C      -1.349629     -4.408749     10.736920
  O      -0.254835     -4.418468     11.294132
  C      -2.842223     -4.553844      8.792047
  C      -3.116477     -4.803046      7.439704
  C      -4.462677     -4.685392      6.973255
  O      -4.825077     -4.812088      5.783878
  H      -2.605666     -1.998614     -0.054769
  H      -2.986748      1.431542     -1.207536
  H      -3.935055      2.873327      2.246987
  H      -4.075037      1.096839      3.501405
  H      -4.474213     -0.551484      5.010890
  H      -6.209920     -3.161698      4.915059
  H      -7.433915     -1.847119      6.004483
  H     -10.573728     -1.400103      3.738430
  H      -9.169545     -3.460554      0.979447
  H      -7.716090     -4.373825     -0.282394
  H      -0.123744     -6.319257      6.671050
  H       0.675684     -6.260316     10.178876
  H      -2.255533     -4.029795     11.272241
  H      -3.627104     -4.104665      9.408755
  H      -5.249802     -4.549942      7.740543
  N      -1.479149     -3.134571      4.694558
  H      -1.423311     -2.990334      5.707479
  H      -1.469755     -2.209294      4.256323
  H      -0.610216     -3.596110      4.414408
  N      -4.299057     -8.262746      6.140486
  N      -4.569042     -8.050029      7.188666
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971366255928
  N      -2.911546     -3.221283      2.333342
  C      -2.365039     -4.009855      1.222836
  C      -1.836167     -5.324695      1.743972
  N      -2.845195     -5.946441      2.633638
  C      -4.004843     -6.435997      1.822530
  C      -5.280431     -6.184174      2.588467
  N      -5.287505     -4.817430      3.114427
  Mo     -3.491022     -4.256272      4.032942
  N      -2.350284     -5.614353      5.279208
  C      -1.466613     -6.531610      4.565328
  C      -2.253988     -7.072536      3.397280
  H      -1.160487     -7.371427      5.207751
  H      -0.538834     -6.030112      4.231851
  H      -3.083376     -7.681298      3.779524
  H      -1.634625     -7.700236      2.734216
  H      -6.147348     -6.389405      1.948626
  H      -5.347994     -6.867449      3.457331
  H      -4.048422     -5.873336      0.887783
  H      -3.864587     -7.502680      1.587648
  H      -1.530290     -3.476769      0.741798
  H      -3.137832     -4.164256      0.449726
  H      -0.922101     -5.156301      2.329651
  H      -1.588996     -6.005578      0.910701
  C      -3.123772     -1.897399      2.065466
  C      -2.883543     -1.354947      0.773894
  C      -2.998061     -0.009439      0.458375
  C      -2.745244      0.379654     -0.950984
  O      -2.302142     -0.399643     -1.791496
  C      -3.401666      0.921565      1.475160
  C      -3.496678      2.380245      1.329920
  O      -3.161712      3.054862      0.363395
  C      -3.712654      0.412266      2.724180
  C      -3.612721     -0.959356      3.065142
  C      -4.058350     -1.321747      4.349575
  O      -4.102372     -2.527631      4.807349
  C      -6.423620     -4.072772      2.976244
  C      -6.850682     -3.230362      4.036894
  C      -8.070121     -2.565224      4.051674
  C      -8.312194     -1.786251      5.287442
  O      -9.284950     -1.097190      5.556130
  C      -8.971357     -2.687606      2.946241
  C     -10.302920     -2.060480      2.867591
  O     -11.065864     -2.220286      1.914641
  C      -8.523062     -3.432316      1.857921
  C      -7.279373     -4.079837      1.804689
  C      -6.874347     -4.467027      0.454057
  O      -5.754855     -4.808713      0.071019
  C      -2.119547     -5.413422      6.588887
  C      -0.906639     -5.812301      7.231625
  C      -0.634976     -5.514968      8.553787
  C       0.669926     -6.006472      9.098895
  O       1.657646     -6.161185      8.397293
  C      -1.602679     -4.844080      9.367058
  C      -1.341286     -4.409044     10.736640
  O      -0.245950     -4.421781     11.292417
  C      -2.836779     -4.550340      8.793459
  C      -3.113172     -4.798546      7.441454
  C      -4.459352     -4.676761      6.975780
  O      -4.823265     -4.802429      5.786838
  H      -2.609639     -2.001455     -0.057480
  H      -2.988992      1.427553     -1.214049
  H      -3.917262      2.877343      2.242149
  H      -4.058354      1.102234      3.500139
  H      -4.458794     -0.543207      5.012247
  H      -6.228485     -3.170671      4.924944
  H      -7.464998     -1.870538      6.017205
  H     -10.595156     -1.425574      3.728994
  H      -9.165731     -3.461070      0.972912
  H      -7.701364     -4.355845     -0.288912
  H      -0.126269     -6.324360      6.669886
  H       0.677178     -6.266973     10.177118
  H      -2.245724     -4.028356     11.273166
  H      -3.619415     -4.098611      9.411060
  H      -5.245029     -4.538671      7.744043
  N      -1.474061     -3.134692      4.691242
  H      -1.417871     -2.988646      5.703805
  H      -1.465224     -2.209430      4.252771
  H      -0.606162     -3.597359      4.410129
  N      -4.310714     -8.253043      6.143861
  N      -4.574709     -8.041493      7.193645
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca E -6423.971358815484
  N      -2.915579     -3.221546      2.336960
  C      -2.370100     -4.008949      1.225269
  C      -1.839052     -5.323540      1.744987
  N      -2.846214     -5.946838      2.635756
  C      -4.006411     -6.437649      1.825920
  C      -5.281431     -6.186209      2.592800
  N      -5.287994     -4.819524      3.118665
  Mo     -3.491903     -4.258185      4.036630
  N      -2.348875     -5.615850      5.280963
  C      -1.464679     -6.531397      4.565532
  C      -2.252697     -7.072673      3.398069
  H      -1.157237     -7.371280      5.207234
  H      -0.537888     -6.028586      4.231392
  H      -3.080864     -7.682521      3.781237
  H      -1.633664     -7.699138      2.733600
  H      -6.149082     -6.391383      1.953512
  H      -5.348815     -6.869676      3.461587
  H      -4.050853     -5.875650      0.890831
  H      -3.865067     -7.504316      1.591798
  H      -1.536783     -3.474615      0.743195
  H      -3.143816     -4.164006      0.453208
  H      -0.924399     -5.154557      2.329564
  H      -1.592118     -6.003619      0.911005
  C      -3.130475     -1.897825      2.070134
  C      -2.893832     -1.354767      0.778070
  C      -3.010663     -0.009335      0.463314
  C      -2.761841      0.380713     -0.946559
  O      -2.316695     -0.396891     -1.787404
  C      -3.413322      0.920737      1.481186
  C      -3.509767      2.379320      1.336579
  O      -3.173711      3.054774      0.371016
  C      -3.721434      0.410580      2.730663
  C      -3.619057     -0.960888      3.071009
  C      -4.062022     -1.324326      4.356270
  O      -4.103780     -2.530283      4.813607
  C      -6.421698     -4.072555      2.975455
  C      -6.847274     -3.222120      4.030395
  C      -8.063706     -2.551376      4.038756
  C      -8.306622     -1.766899      5.270931
  O      -9.276706     -1.071781      5.533518
  C      -8.963051     -2.677063      2.931947
  C     -10.291720     -2.045063      2.845879
  O     -11.053389     -2.209859      1.893100
  C      -8.515926     -3.430608      1.849332
  C      -7.275240     -4.084279      1.802777
  C      -6.870859     -4.487403      0.456678
  O      -5.751694     -4.835380      0.078155
  C      -2.117038     -5.415565      6.590435
  C      -0.903064     -5.814401      7.231549
  C      -0.629974     -5.518105      8.553615
  C       0.675917     -6.009487      9.096847
  O       1.660431     -6.171264      8.392358
  C      -1.597114     -4.848452      9.368586
  C      -1.334523     -4.414256     10.738194
  O      -0.238301     -4.424139     11.292070
  C      -2.832052     -4.554883      8.796487
  C      -3.109963     -4.802134      7.444675
  C      -4.456711     -4.680921      6.980317
  O      -4.821800     -4.806027      5.791716
  H      -2.621542     -2.000968     -0.054073
  H      -3.010220      1.427592     -1.209397
  H      -3.928896      2.875780      2.249780
  H      -4.066655      1.099722      3.507531
  H      -4.462007     -0.546444      5.019972
  H      -6.226462     -3.160936      4.919482
  H      -7.459186     -1.846786      6.000825
  H     -10.578323     -1.395843      3.695522
  H      -9.158108     -3.464288      0.964166
  H      -7.693568     -4.370093     -0.290054
  H      -0.123391     -6.326033      6.668582
  H       0.682787     -6.275677     10.173418
  H      -2.238387     -4.032321     11.274859
  H      -3.614145     -4.104168      9.415438
  H      -5.241435     -4.543897      7.749685
  N      -1.474685     -3.135216      4.691946
  H      -1.417429     -2.989823      5.704551
  H      -1.468971     -2.209151      4.255028
  H      -0.606497     -3.595807      4.408437
  N      -4.305611     -8.255770      6.150190
  N      -4.565709     -8.043275      7.200842
