95
Coordinates from ORCA-job orca E -6310.476388177131
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
  H      -1.341624      4.835602      4.562840
  H      -2.956881      4.997713      4.680056
  H      -2.321201      3.892557      3.668317
  N      -3.020447      1.163628      5.124992
  N      -3.537747      0.033217      4.438718
95
Coordinates from ORCA-job orca E -6310.538866783480
  N      -2.589913      4.399643      7.336283
  Mo     -2.212677      2.855124      6.139785
  N      -2.440189      1.455176      7.532700
  C      -1.376219      1.275641      8.500998
  C      -0.656597      2.598582      8.746381
  N      -0.362623      3.273554      7.467611
  C      -0.250702      4.726860      7.665438
  C      -1.645522      5.287281      7.954593
  C       0.863845      2.751702      6.841062
  C       0.595300      2.706224      5.332639
  N      -0.662226      2.017177      5.168069
  H      -1.732468      6.313358      7.551073
  H      -1.833616      5.358418      9.043273
  H       0.132485      5.164090      6.737483
  H       0.449240      4.957504      8.482160
  H       1.424683      2.212487      4.809045
  H       0.520642      3.734796      4.943612
  H       1.039454      1.728072      7.187005
  H       1.737258      3.369108      7.088683
  H      -1.759569      0.913242      9.468155
  H      -0.654837      0.515675      8.136490
  H      -1.326734      3.239126      9.327115
  H       0.267108      2.440434      9.322154
  C      -3.973869      4.721245      7.548589
  C      -4.715397      3.929397      6.517917
  C      -5.961087      4.177411      6.079374
  C      -6.606357      3.500669      4.974161
  N      -5.813629      2.946464      4.039509
  C      -6.403647      2.392386      2.974987
  N      -7.680475      2.369159      2.678649
  C      -8.522524      2.894682      3.612477
  C      -9.909983      2.860313      3.374287
  C     -10.785656      3.363074      4.310115
  C     -10.304915      3.911563      5.508922
  C      -8.952530      3.965446      5.762294
  C      -8.027068      3.478811      4.816521
  C      -0.563817      0.725596      4.497701
  C      -1.339885     -0.346368      5.182071
  C      -2.325110     -1.132366      4.642401
  C      -2.961036     -1.048914      3.332923
  N      -2.867951      0.102621      2.624436
  C      -3.581434      0.207595      1.499852
  N      -4.411809     -0.671283      0.983872
  C      -4.492756     -1.871096      1.625269
  C      -5.331385     -2.869375      1.090570
  C      -5.406135     -4.105071      1.692080
  C      -4.641705     -4.384078      2.837041
  C      -3.825077     -3.421468      3.387882
  C      -3.741909     -2.136988      2.813097
  C      -3.548333      0.524611      7.743985
  C      -4.761689      1.242711      8.273011
  C      -6.021062      1.255216      7.781168
  C      -6.559002      0.620988      6.589794
  N      -5.709394      0.110737      5.695787
  C      -6.192252     -0.381323      4.553211
  N      -7.450871     -0.532165      4.214202
  C      -8.368725     -0.062334      5.110185
  C      -9.737023     -0.192272      4.800421
  C     -10.693148      0.279094      5.669908
  C     -10.312299      0.884626      6.877575
  C      -8.982577      1.021059      7.206328
  C      -7.972151      0.553564      6.339671
  H      -4.170793      5.805713      7.431197
  H      -4.299845      4.448487      8.578547
  H      -4.120912      3.072964      6.155794
  H      -6.539902      4.960425      6.566278
  H      -5.731235      1.939560      2.246741
  H     -10.252233      2.419650      2.445703
  H     -11.853108      3.331892      4.124024
  H     -11.005055      4.295334      6.242177
  H      -8.595049      4.381606      6.697613
  H       0.488482      0.388367      4.478567
  H      -0.892131      0.815932      3.451342
  H      -1.011719     -0.573524      6.192884
  H      -2.710492     -1.933703      5.264964
  H      -3.472606      1.154368      0.968092
  H      -5.895327     -2.628380      0.197668
  H      -6.049186     -4.872788      1.276961
  H      -4.692977     -5.369257      3.288397
  H      -3.229544     -3.661436      4.261333
  H      -3.263713     -0.250137      8.478213
  H      -3.812861      0.018835      6.813650
  H      -4.581421      1.804376      9.188807
  H      -6.748574      1.836067      8.339629
  H      -5.437703     -0.716735      3.836627
  H      -9.994924     -0.664927      3.860122
  H     -11.744434      0.181830      5.425268
  H     -11.073065      1.246768      7.559167
  H      -8.718379      1.481652      8.151226
  N      -2.146400      4.314353      4.552052
  H      -1.272334      4.845582      4.530579
  H      -2.893047      5.008097      4.622041
  H      -2.240065      3.890211      3.627035
  N      -2.985554      1.203211      5.095584
  N      -3.500930      0.142953      4.428570
95
Coordinates from ORCA-job orca E -6310.592799770392
  N      -2.582876      4.402448      7.319038
  Mo     -2.192364      2.846196      6.122893
  N      -2.434010      1.442757      7.544250
  C      -1.372035      1.274787      8.521360
  C      -0.659534      2.599621      8.759793
  N      -0.353220      3.272002      7.476379
  C      -0.245175      4.729910      7.673053
  C      -1.643195      5.289935      7.947885
  C       0.885341      2.747454      6.863704
  C       0.640028      2.699539      5.354620
  N      -0.616077      2.006591      5.172323
  H      -1.723348      6.317541      7.542311
  H      -1.842890      5.363540      9.036507
  H       0.149883      5.165785      6.747022
  H       0.447892      4.961927      8.497874
  H       1.478492      2.204975      4.842497
  H       0.573179      3.730850      4.963584
  H       1.056642      1.723850      7.216758
  H       1.756000      3.368343      7.124189
  H      -1.759003      0.920989      9.492035
  H      -0.644147      0.510868      8.168668
  H      -1.336170      3.244414      9.331161
  H       0.262974      2.448854      9.344018
  C      -3.975603      4.722918      7.509524
  C      -4.708235      3.925398      6.470398
  C      -5.950724      4.170196      6.015060
  C      -6.586168      3.467965      4.913402
  N      -5.792164      2.884309      4.001866
  C      -6.382919      2.294486      2.946178
  N      -7.667540      2.263294      2.646715
  C      -8.507518      2.824367      3.564004
  C      -9.899655      2.794544      3.324520
  C     -10.774017      3.338650      4.241810
  C     -10.289414      3.926006      5.426675
  C      -8.934408      3.975847      5.680882
  C      -8.009403      3.448294      4.750752
  C      -0.507414      0.709333      4.502374
  C      -1.294536     -0.339181      5.193817
  C      -2.318185     -1.093896      4.643744
  C      -2.957255     -0.981014      3.325090
  N      -2.826446      0.170488      2.603765
  C      -3.542550      0.288630      1.475011
  N      -4.411429     -0.571034      0.963026
  C      -4.525866     -1.762582      1.617492
  C      -5.398969     -2.744487      1.095416
  C      -5.508503     -3.975513      1.708808
  C      -4.744815     -4.270757      2.856835
  C      -3.895589     -3.325581      3.395913
  C      -3.776948     -2.045486      2.808053
  C      -3.539708      0.503268      7.769424
  C      -4.762675      1.205040      8.304413
  C      -6.032305      1.206524      7.828811
  C      -6.582160      0.573180      6.636132
  N      -5.737321      0.079254      5.735276
  C      -6.214999     -0.407733      4.581785
  N      -7.482075     -0.559927      4.241754
  C      -8.398405     -0.104890      5.152567
  C      -9.772118     -0.242582      4.852450
  C     -10.726773      0.206823      5.739125
  C     -10.341023      0.799947      6.957276
  C      -9.007184      0.944654      7.277397
  C      -7.998577      0.497081      6.393282
  H      -4.172193      5.807803      7.386323
  H      -4.316411      4.452623      8.537010
  H      -4.115739      3.063271      6.114789
  H      -6.534267      4.961700      6.488984
  H      -5.707745      1.814214      2.234508
  H     -10.245841      2.323872      2.407729
  H     -11.845201      3.310346      4.053809
  H     -10.989868      4.342156      6.147549
  H      -8.573917      4.422303      6.604982
  H       0.543288      0.361143      4.483600
  H      -0.832722      0.805964      3.455117
  H      -0.972580     -0.574498      6.207898
  H      -2.732668     -1.886604      5.262525
  H      -3.402207      1.228859      0.933886
  H      -5.962188     -2.494069      0.199905
  H      -6.179176     -4.729000      1.301124
  H      -4.823699     -5.253064      3.318459
  H      -3.301557     -3.576205      4.271917
  H      -3.242788     -0.261910      8.510365
  H      -3.800739     -0.013917      6.842858
  H      -4.581409      1.772667      9.220652
  H      -6.757357      1.783177      8.401361
  H      -5.445882     -0.726455      3.862249
  H     -10.035385     -0.705340      3.904423
  H     -11.782998      0.102834      5.500724
  H     -11.102372      1.146071      7.652760
  H      -8.737630      1.394827      8.229713
  N      -2.096112      4.315543      4.506814
  H      -1.219187      4.847493      4.488235
  H      -2.842540      5.013620      4.562885
  H      -2.180472      3.880696      3.583753
  N      -2.974973      1.238250      5.079516
  N      -3.476848      0.257178      4.451742
95
Coordinates from ORCA-job orca E -6310.636017019292
  N      -2.587119      4.396452      7.309099
  Mo     -2.185871      2.831680      6.110744
  N      -2.433506      1.426110      7.556346
  C      -1.370754      1.268419      8.536866
  C      -0.664313      2.595314      8.767665
  N      -0.352854      3.264979      7.480460
  C      -0.249921      4.726156      7.676480
  C      -1.650592      5.283453      7.944466
  C       0.893456      2.740306      6.876111
  C       0.662532      2.690998      5.367401
  N      -0.590487      1.992668      5.173053
  H      -1.727478      6.312454      7.538973
  H      -1.856169      5.357733      9.033247
  H       0.151550      5.161685      6.751688
  H       0.439455      4.959391      8.505569
  H       1.507039      2.197399      4.862045
  H       0.599774      3.724190      4.975860
  H       1.063393      1.717300      7.234290
  H       1.760775      3.364895      7.145519
  H      -1.757542      0.922117      9.511190
  H      -0.639260      0.501787      8.192432
  H      -1.344619      3.243386      9.332652
  H       0.258539      2.452278      9.355754
  C      -3.985979      4.713839      7.485968
  C      -4.712959      3.913087      6.441790
  C      -5.952912      4.154494      5.976721
  C      -6.580551      3.437843      4.875049
  N      -5.782940      2.851510      3.972270
  C      -6.370632      2.242954      2.919470
  N      -7.659408      2.194970      2.622757
  C      -8.501043      2.760638      3.536598
  C      -9.896150      2.718849      3.300855
  C     -10.772739      3.270072      4.212799
  C     -10.289299      3.877983      5.391439
  C      -8.932994      3.940108      5.641759
  C      -8.005500      3.405800      4.714589
  C      -0.469940      0.688780      4.499884
  C      -1.256596     -0.355330      5.191738
  C      -2.303044     -1.071652      4.634483
  C      -2.949577     -0.921732      3.312146
  N      -2.795802      0.231457      2.585563
  C      -3.516816      0.358676      1.459198
  N      -4.413122     -0.482496      0.950240
  C      -4.547431     -1.668575      1.610022
  C      -5.445405     -2.636782      1.097729
  C      -5.575837     -3.865162      1.714935
  C      -4.808497     -4.175498      2.859950
  C      -3.935805     -3.245044      3.389984
  C      -3.795902     -1.966576      2.797244
  C      -3.538483      0.485595      7.793744
  C      -4.756508      1.197512      8.326817
  C      -6.029697      1.200287      7.860899
  C      -6.586128      0.542087      6.682285
  N      -5.742516      0.008302      5.805912
  C      -6.214565     -0.507677      4.659453
  N      -7.484150     -0.643678      4.307816
  C      -8.399750     -0.143947      5.197522
  C      -9.775471     -0.264980      4.889511
  C     -10.730397      0.224150      5.756688
  C     -10.345026      0.843362      6.965007
  C      -9.010064      0.973034      7.293164
  C      -8.002183      0.483364      6.428400
  H      -4.183645      5.798650      7.359721
  H      -4.335909      4.444297      8.511238
  H      -4.124021      3.046652      6.088090
  H      -6.540577      4.947376      6.446131
  H      -5.690864      1.758825      2.212718
  H     -10.242078      2.232658      2.389615
  H     -11.846137      3.231737      4.027124
  H     -10.992552      4.299357      6.109608
  H      -8.573334      4.401813      6.560739
  H       0.580969      0.339711      4.476508
  H      -0.797131      0.795569      3.454050
  H      -0.937080     -0.606353      6.204215
  H      -2.736310     -1.862819      5.244112
  H      -3.357277      1.294287      0.913000
  H      -6.011709     -2.377217      0.204185
  H      -6.266533     -4.606483      1.312813
  H      -4.904104     -5.156476      3.325373
  H      -3.339752     -3.505649      4.263833
  H      -3.237137     -0.269898      8.543226
  H      -3.803322     -0.043605      6.874172
  H      -4.567073      1.782140      9.233198
  H      -6.746355      1.799761      8.424250
  H      -5.436687     -0.860934      3.962670
  H     -10.040178     -0.748753      3.950090
  H     -11.788262      0.132152      5.510847
  H     -11.107841      1.221656      7.645355
  H      -8.738878      1.444057      8.237049
  N      -2.068446      4.311192      4.470601
  H      -1.190336      4.843143      4.451642
  H      -2.814112      5.011953      4.517996
  H      -2.148130      3.867279      3.550693
  N      -2.984007      1.269133      5.068520
  N      -3.461993      0.358572      4.477209
95
Coordinates from ORCA-job orca E -6310.669332537033
  N      -2.587826      4.405276      7.304430
  Mo     -2.186474      2.828742      6.106768
  N      -2.439235      1.424795      7.573096
  C      -1.373465      1.271185      8.552513
  C      -0.667812      2.597069      8.777492
  N      -0.353548      3.261196      7.486462
  C      -0.248785      4.725174      7.678791
  C      -1.648238      5.287402      7.942334
  C       0.894759      2.729840      6.887665
  C       0.670630      2.678642      5.380398
  N      -0.583047      1.980123      5.177281
  H      -1.717181      6.317497      7.535813
  H      -1.856278      5.365359      9.031424
  H       0.158389      5.156526      6.753498
  H       0.440674      4.957610      8.509251
  H       1.516485      2.181776      4.878728
  H       0.615607      3.713504      4.988360
  H       1.059774      1.707260      7.251446
  H       1.762285      3.353967      7.162640
  H      -1.758743      0.931003      9.530279
  H      -0.642597      0.500528      8.212601
  H      -1.346820      3.250643      9.339003
  H       0.256395      2.457928      9.366160
  C      -3.989007      4.729557      7.471375
  C      -4.717766      3.929119      6.426321
  C      -5.952449      4.171401      5.949081
  C      -6.570410      3.433799      4.852859
  N      -5.763728      2.821218      3.976974
  C      -6.341083      2.182653      2.933165
  N      -7.628998      2.126215      2.625832
  C      -8.478508      2.722405      3.514177
  C      -9.872351      2.683503      3.262060
  C     -10.756822      3.271032      4.143780
  C     -10.284244      3.913935      5.310129
  C      -8.930267      3.973768      5.576242
  C      -7.994553      3.403523      4.677387
  C      -0.453240      0.668142      4.498123
  C      -1.237540     -0.390646      5.174819
  C      -2.295459     -1.073106      4.607105
  C      -2.949324     -0.889625      3.279658
  N      -2.785846      0.264406      2.548968
  C      -3.509435      0.391437      1.424139
  N      -4.419425     -0.439611      0.916948
  C      -4.560820     -1.621949      1.580295
  C      -5.469719     -2.585773      1.074714
  C      -5.607067     -3.812728      1.693641
  C      -4.835438     -4.129462      2.836007
  C      -3.952807     -3.204610      3.360070
  C      -3.806078     -1.925450      2.765038
  C      -3.544042      0.484972      7.823595
  C      -4.761529      1.188142      8.369158
  C      -6.040270      1.182618      7.917620
  C      -6.597543      0.522121      6.738762
  N      -5.750772     -0.002563      5.858905
  C      -6.218992     -0.516245      4.707755
  N      -7.489518     -0.652065      4.352843
  C      -8.406944     -0.163161      5.247913
  C      -9.783724     -0.293473      4.943360
  C     -10.741320      0.176830      5.819224
  C     -10.359014      0.787887      7.033986
  C      -9.023362      0.927460      7.359194
  C      -8.013846      0.454589      6.485969
  H      -4.180245      5.815283      7.340440
  H      -4.347323      4.465847      8.495671
  H      -4.140147      3.052961      6.073942
  H      -6.540167      4.973572      6.404715
  H      -5.653166      1.675529      2.248382
  H     -10.210886      2.170273      2.361005
  H     -11.829556      3.234323      3.944912
  H     -10.994850      4.363447      6.006005
  H      -8.578945      4.463078      6.485714
  H       0.600652      0.327570      4.472822
  H      -0.780429      0.787574      3.453934
  H      -0.922895     -0.663196      6.184349
  H      -2.738997     -1.868870      5.204750
  H      -3.341672      1.323724      0.873008
  H      -6.039843     -2.323012      0.182547
  H      -6.307162     -4.549448      1.295018
  H      -4.936630     -5.110273      3.303698
  H      -3.354486     -3.469298      4.232532
  H      -3.231495     -0.265746      8.573650
  H      -3.814535     -0.050378      6.908704
  H      -4.567199      1.776203      9.274227
  H      -6.755771      1.778331      8.489016
  H      -5.433271     -0.859721      4.011621
  H     -10.047797     -0.771038      3.998788
  H     -11.800533      0.076886      5.574934
  H     -11.124883      1.152448      7.720992
  H      -8.752240      1.391718      8.308059
  N      -2.047355      4.318390      4.444029
  H      -1.165937      4.845981      4.421767
  H      -2.789062      5.024447      4.486520
  H      -2.128409      3.866383      3.527662
  N      -3.014474      1.314467      5.066061
  N      -3.478568      0.433792      4.487802
95
Coordinates from ORCA-job orca E -6310.696995030049
  N      -2.593503      4.412328      7.311259
  Mo     -2.192577      2.826625      6.111935
  N      -2.442411      1.424817      7.593185
  C      -1.371968      1.273665      8.568420
  C      -0.667253      2.599243      8.789028
  N      -0.355897      3.258989      7.494395
  C      -0.251351      4.725170      7.683574
  C      -1.649701      5.289768      7.948571
  C       0.891366      2.723184      6.895315
  C       0.665536      2.671700      5.389887
  N      -0.588722      1.972314      5.181391
  H      -1.714003      6.321134      7.543023
  H      -1.855539      5.369633      9.038497
  H       0.156942      5.153554      6.756941
  H       0.440926      4.957201      8.512447
  H       1.510324      2.173779      4.886532
  H       0.614907      3.708119      4.999808
  H       1.054360      1.701216      7.262669
  H       1.759226      3.347030      7.172499
  H      -1.753181      0.936668      9.549153
  H      -0.642482      0.500805      8.229596
  H      -1.343427      3.256789      9.349911
  H       0.259684      2.464238      9.375210
  C      -3.995088      4.741715      7.475960
  C      -4.728862      3.944228      6.432404
  C      -5.960770      4.188545      5.948933
  C      -6.573151      3.442593      4.853684
  N      -5.758985      2.827601      3.986971
  C      -6.327887      2.177756      2.944825
  N      -7.614853      2.108666      2.634941
  C      -8.471306      2.707893      3.515360
  C      -9.864344      2.660771      3.257474
  C     -10.755727      3.254123      4.128211
  C     -10.291900      3.911792      5.290476
  C      -8.939241      3.980184      5.562174
  C      -7.996940      3.404402      4.673351
  C      -0.451108      0.656828      4.491874
  C      -1.228509     -0.426964      5.144654
  C      -2.287854     -1.087575      4.569529
  C      -2.950695     -0.881912      3.240513
  N      -2.791525      0.271738      2.508134
  C      -3.519102      0.391420      1.386432
  N      -4.432686     -0.437714      0.882728
  C      -4.568585     -1.618056      1.548367
  C      -5.478796     -2.585046      1.049361
  C      -5.610064     -3.811637      1.668489
  C      -4.830249     -4.127277      2.806251
  C      -3.946961     -3.200392      3.324378
  C      -3.806272     -1.918744      2.728757
  C      -3.549272      0.490589      7.849794
  C      -4.762475      1.195864      8.397440
  C      -6.041258      1.186853      7.948073
  C      -6.593449      0.509103      6.775693
  N      -5.742483     -0.043424      5.913863
  C      -6.206865     -0.575591      4.768472
  N      -7.475089     -0.697640      4.401254
  C      -8.394023     -0.179642      5.277354
  C      -9.769841     -0.298305      4.962304
  C     -10.730502      0.196675      5.821356
  C     -10.353565      0.823076      7.030174
  C      -9.018980      0.952448      7.365566
  C      -8.007576      0.452956      6.509440
  H      -4.181167      5.828187      7.343172
  H      -4.356601      4.482129      8.500138
  H      -4.164108      3.058949      6.076633
  H      -6.547479      4.994313      6.399925
  H      -5.633003      1.669175      2.266986
  H     -10.196751      2.136289      2.359832
  H     -11.827923      3.210394      3.924616
  H     -11.008481      4.365193      5.978536
  H      -8.594622      4.480541      6.468719
  H       0.607707      0.333698      4.465385
  H      -0.778977      0.788866      3.449741
  H      -0.917305     -0.721274      6.149726
  H      -2.731165     -1.891606      5.156579
  H      -3.354406      1.322008      0.830932
  H      -6.055631     -2.323953      0.160242
  H      -6.311811     -4.549803      1.273908
  H      -4.926622     -5.108560      3.275021
  H      -3.343893     -3.464565      4.193746
  H      -3.233071     -0.257038      8.601389
  H      -3.824760     -0.048329      6.937802
  H      -4.565522      1.793299      9.296661
  H      -6.755324      1.793708      8.510358
  H      -5.417693     -0.940588      4.088671
  H     -10.031364     -0.788258      4.022685
  H     -11.788955      0.104942      5.567919
  H     -11.122363      1.207964      7.703645
  H      -8.749846      1.429304      8.309353
  N      -2.040550      4.328596      4.429869
  H      -1.157154      4.852146      4.401760
  H      -2.778961      5.038054      4.472544
  H      -2.126773      3.869935      3.517429
  N      -3.053772      1.361635      5.073624
  N      -3.512659      0.483334      4.495097
95
Coordinates from ORCA-job orca E -6310.719645711309
  N      -2.597246      4.420925      7.318767
  Mo     -2.192630      2.826182      6.120194
  N      -2.438370      1.427266      7.609948
  C      -1.364963      1.278244      8.581268
  C      -0.662707      2.604592      8.801682
  N      -0.354197      3.260360      7.504678
  C      -0.251642      4.728148      7.689606
  C      -1.649690      5.294065      7.954892
  C       0.891351      2.720743      6.904991
  C       0.661563      2.668615      5.400924
  N      -0.593200      1.969009      5.187211
  H      -1.709711      6.326384      7.550194
  H      -1.853414      5.376122      9.045287
  H       0.157351      5.153158      6.761700
  H       0.442841      4.961336      8.516544
  H       1.504516      2.170514      4.894384
  H       0.614202      3.706036      5.013290
  H       1.052932      1.699808      7.275896
  H       1.759399      3.344121      7.183333
  H      -1.743270      0.940483      9.563009
  H      -0.635511      0.505867      8.242389
  H      -1.337051      3.264391      9.362139
  H       0.266089      2.473853      9.386002
  C      -3.997706      4.756317      7.481534
  C      -4.736049      3.962124      6.440563
  C      -5.964605      4.208755      5.949196
  C      -6.570888      3.452727      4.857303
  N      -5.748001      2.822689      4.009365
  C      -6.305848      2.157264      2.972138
  N      -7.589060      2.082667      2.651384
  C      -8.454217      2.699440      3.511501
  C      -9.843786      2.655031      3.236257
  C     -10.743413      3.270313      4.082663
  C     -10.292064      3.947709      5.238166
  C      -8.942881      4.013772      5.526801
  C      -7.992533      3.416296      4.661874
  C      -0.452042      0.656022      4.486558
  C      -1.225376     -0.450115      5.112517
  C      -2.284005     -1.095009      4.534466
  C      -2.954711     -0.877449      3.208834
  N      -2.799974      0.271499      2.476951
  C      -3.530637      0.385004      1.357239
  N      -4.446630     -0.442332      0.858839
  C      -4.578844     -1.620895      1.526950
  C      -5.491308     -2.588982      1.033872
  C      -5.617854     -3.814600      1.652934
  C      -4.830197     -4.129002      2.785528
  C      -3.945433     -3.201550      3.298039
  C      -3.808917     -1.917605      2.702706
  C      -3.545822      0.494651      7.864940
  C      -4.762480      1.190273      8.414477
  C      -6.042551      1.171331      7.966535
  C      -6.593795      0.488828      6.794780
  N      -5.745922     -0.068123      5.930071
  C      -6.217169     -0.600698      4.786845
  N      -7.485476     -0.714989      4.421746
  C      -8.399424     -0.195019      5.300442
  C      -9.776599     -0.312767      4.991943
  C     -10.733463      0.178697      5.856808
  C     -10.351899      0.802200      7.065079
  C      -9.015746      0.931714      7.393908
  C      -8.008603      0.433965      6.532097
  H      -4.178060      5.843439      7.346198
  H      -4.362432      4.502059      8.505801
  H      -4.185446      3.067304      6.081561
  H      -6.549469      5.021112      6.390659
  H      -5.603294      1.637210      2.310692
  H     -10.167279      2.115335      2.344372
  H     -11.812987      3.228345      3.865524
  H     -11.015583      4.417602      5.907547
  H      -8.607764      4.529707      6.428093
  H       0.611516      0.351686      4.461523
  H      -0.779439      0.798987      3.445887
  H      -0.917878     -0.763359      6.113561
  H      -2.725026     -1.904928      5.114964
  H      -3.368249      1.312822      0.796469
  H      -6.073933     -2.328687      0.148282
  H      -6.321496     -4.553265      1.262871
  H      -4.922619     -5.110173      3.255154
  H      -3.338679     -3.466707      4.163809
  H      -3.224064     -0.252846      8.614633
  H      -3.820980     -0.045021      6.952975
  H      -4.569486      1.790387      9.312854
  H      -6.758126      1.775137      8.529571
  H      -5.431189     -0.967146      4.104532
  H     -10.042976     -0.800444      4.052510
  H     -11.792942      0.087060      5.607850
  H     -11.117945      1.185187      7.742640
  H      -8.741327      1.406284      8.337167
  N      -2.029463      4.341614      4.422188
  H      -1.144694      4.861336      4.389243
  H      -2.765619      5.052846      4.466749
  H      -2.121063      3.876829      3.513764
  N      -3.090223      1.410970      5.082319
  N      -3.549086      0.533505      4.506764
95
Coordinates from ORCA-job orca E -6310.738489583052
  N      -2.608065      4.421184      7.327034
  Mo     -2.193945      2.818967      6.130471
  N      -2.431038      1.424358      7.624551
  C      -1.355219      1.278116      8.591825
  C      -0.658354      2.607368      8.813155
  N      -0.355082      3.260396      7.514072
  C      -0.258910      4.729640      7.693851
  C      -1.658280      5.292652      7.960561
  C       0.888957      2.720398      6.912123
  C       0.652835      2.667165      5.409512
  N      -0.600868      1.964884      5.192611
  H      -1.717588      6.325755      7.557044
  H      -1.858624      5.376190      9.051591
  H       0.148267      5.152252      6.764156
  H       0.437650      4.967013      8.517956
  H       1.494418      2.171527      4.898113
  H       0.604948      3.705129      5.024332
  H       1.052307      1.700956      7.286101
  H       1.756176      3.345140      7.189702
  H      -1.730336      0.937463      9.573890
  H      -0.624194      0.508198      8.252141
  H      -1.332633      3.267026      9.373652
  H       0.272320      2.482582      9.395641
  C      -4.006889      4.759222      7.490972
  C      -4.749268      3.968194      6.453272
  C      -5.976797      4.218179      5.958193
  C      -6.582400      3.465503      4.863780
  N      -5.756558      2.841539      4.014034
  C      -6.310211      2.179849      2.973330
  N      -7.592245      2.099635      2.652389
  C      -8.460717      2.710564      3.513375
  C      -9.849281      2.663992      3.235372
  C     -10.751910      3.276363      4.080489
  C     -10.304736      3.952697      5.237743
  C      -8.956338      4.020847      5.529342
  C      -8.003485      3.426406      4.665993
  C      -0.454807      0.659309      4.479930
  C      -1.220209     -0.468123      5.080010
  C      -2.275507     -1.105757      4.501189
  C      -2.952569     -0.886053      3.182677
  N      -2.807549      0.257724      2.452834
  C      -3.541455      0.364031      1.333895
  N      -4.454779     -0.466619      0.841328
  C      -4.578455     -1.645324      1.511195
  C      -5.488969     -2.617271      1.022709
  C      -5.606116     -3.842787      1.641563
  C      -4.810023     -4.152309      2.769327
  C      -3.927840     -3.220837      3.277284
  C      -3.800376     -1.934722      2.682741
  C      -3.539622      0.494698      7.875193
  C      -4.755287      1.188865      8.425298
  C      -6.034336      1.166839      7.976078
  C      -6.583332      0.475577      6.809388
  N      -5.736570     -0.104979      5.957918
  C      -6.210519     -0.645309      4.819235
  N      -7.476369     -0.742022      4.445498
  C      -8.388322     -0.198742      5.310906
  C      -9.764697     -0.300200      4.994496
  C     -10.720333      0.212508      5.847851
  C     -10.338441      0.842942      7.051893
  C      -9.002794      0.957773      7.387683
  C      -7.997217      0.437089      6.537776
  H      -4.184310      5.846688      7.354089
  H      -4.372298      4.509014      8.515939
  H      -4.211339      3.065818      6.090005
  H      -6.559397      5.032425      6.398843
  H      -5.603766      1.667124      2.309996
  H     -10.169957      2.125363      2.342115
  H     -11.820674      3.232569      3.861153
  H     -11.030693      4.419544      5.906136
  H      -8.624221      4.535478      6.432143
  H       0.613661      0.375599      4.456663
  H      -0.781951      0.810333      3.440074
  H      -0.914152     -0.796376      6.077201
  H      -2.709775     -1.922087      5.077349
  H      -3.386870      1.290860      0.769645
  H      -6.077626     -2.359516      0.140696
  H      -6.308109     -4.584789      1.255817
  H      -4.894659     -5.133581      3.239600
  H      -3.316968     -3.484798      4.139845
  H      -3.217055     -0.254215      8.623242
  H      -3.815235     -0.044141      6.962306
  H      -4.563386      1.793992      9.320255
  H      -6.748812      1.777198      8.532324
  H      -5.428330     -1.029056      4.145333
  H     -10.032038     -0.793318      4.058479
  H     -11.778992      0.132904      5.592631
  H     -11.103443      1.243371      7.719970
  H      -8.727305      1.438379      8.327121
  N      -2.025711      4.347322      4.418704
  H      -1.140900      4.865171      4.380466
  H      -2.761807      5.057800      4.466732
  H      -2.122851      3.876228      3.514653
  N      -3.128459      1.449010      5.091260
  N      -3.586578      0.570593      4.521848
95
Coordinates from ORCA-job orca E -6310.754271544400
  N      -2.617202      4.424063      7.334297
  Mo     -2.190897      2.814364      6.142744
  N      -2.420975      1.424774      7.636235
  C      -1.344468      1.280371      8.601160
  C      -0.653813      2.612459      8.825959
  N      -0.354236      3.263278      7.525604
  C      -0.264445      4.733562      7.699415
  C      -1.665249      5.293970      7.965659
  C       0.888373      2.722501      6.921653
  C       0.646855      2.667816      5.420095
  N      -0.606268      1.963750      5.199880
  H      -1.723216      6.327768      7.562987
  H      -1.863206      5.379409      9.057152
  H       0.141494      5.153283      6.767945
  H       0.433297      4.976300      8.521109
  H       1.487352      2.174738      4.904238
  H       0.598633      3.706251      5.036971
  H       1.052981      1.704445      7.298661
  H       1.755271      3.348099      7.198012
  H      -1.717889      0.934462      9.582204
  H      -0.610475      0.514266      8.260356
  H      -1.329294      3.270918      9.386233
  H       0.277764      2.492787      9.408003
  C      -4.014099      4.766879      7.498529
  C      -4.760349      3.978827      6.463946
  C      -5.985355      4.232374      5.962987
  C      -6.587197      3.477112      4.868813
  N      -5.755690      2.844137      4.030170
  C      -6.300860      2.175791      2.990216
  N      -7.579869      2.093780      2.660241
  C      -8.454546      2.715840      3.507379
  C      -9.839866      2.674391      3.214716
  C     -10.748088      3.301756      4.042646
  C     -10.310081      3.987795      5.197193
  C      -8.964710      4.050891      5.503348
  C      -8.006236      3.441592      4.657514
  C      -0.458213      0.667566      4.473756
  C      -1.218838     -0.478057      5.047927
  C      -2.272085     -1.112422      4.467436
  C      -2.953091     -0.895516      3.156794
  N      -2.815150      0.243152      2.429977
  C      -3.550554      0.346222      1.309992
  N      -4.460572     -0.487289      0.822120
  C      -4.578843     -1.667201      1.492663
  C      -5.488239     -2.640351      1.005833
  C      -5.599345     -3.866434      1.623655
  C      -4.797634     -4.173025      2.747856
  C      -3.917076     -3.239382      3.253952
  C      -3.795549     -1.951900      2.661264
  C      -3.528179      0.492866      7.880828
  C      -4.746397      1.178561      8.434839
  C      -6.026764      1.149516      7.989228
  C      -6.579187      0.457595      6.824977
  N      -5.738560     -0.129338      5.971314
  C      -6.221426     -0.664706      4.833614
  N      -7.487664     -0.748933      4.462154
  C      -8.393767     -0.202436      5.331353
  C      -9.771487     -0.296852      5.020283
  C     -10.721328      0.215712      5.879845
  C     -10.331704      0.840320      7.084012
  C      -8.994301      0.949429      7.413779
  C      -7.994505      0.427236      6.558071
  H      -4.187506      5.854830      7.359231
  H      -4.381126      4.522089      8.524447
  H      -4.235015      3.069674      6.098460
  H      -6.566277      5.051884      6.396343
  H      -5.588270      1.657610      2.336713
  H     -10.154043      2.128287      2.323907
  H     -11.814404      3.261899      3.811887
  H     -11.040707      4.465734      5.852204
  H      -8.639441      4.573165      6.404056
  H       0.613928      0.399379      4.453269
  H      -0.783098      0.826317      3.433853
  H      -0.914661     -0.819118      6.041955
  H      -2.699719     -1.933944      5.041026
  H      -3.401597      1.272627      0.743981
  H      -6.080643     -2.383010      0.126461
  H      -6.300242     -4.610441      1.240480
  H      -4.877107     -5.154630      3.217970
  H      -3.303915     -3.503731      4.114487
  H      -3.201798     -0.258640      8.625101
  H      -3.802242     -0.044667      6.966771
  H      -4.556271      1.784861      9.329106
  H      -6.740668      1.757516      8.548107
  H      -5.446180     -1.050919      4.154166
  H     -10.045110     -0.785162      4.083772
  H     -11.781160      0.141254      5.628962
  H     -11.092067      1.241505      7.756543
  H      -8.712605      1.425857      8.353207
  N      -2.017582      4.355051      4.420580
  H      -1.132626      4.871207      4.378037
  H      -2.754269      5.064119      4.472496
  H      -2.119995      3.878396      3.520470
  N      -3.165432      1.489118      5.097662
  N      -3.627725      0.607307      4.533398
95
Coordinates from ORCA-job orca E -6310.767500695226
  N      -2.631271      4.419262      7.338927
  Mo     -2.186377      2.802968      6.155202
  N      -2.407280      1.418976      7.645551
  C      -1.330648      1.278791      8.609765
  C      -0.649630      2.616028      8.837449
  N      -0.354796      3.265579      7.535501
  C      -0.275713      4.737080      7.701879
  C      -1.679486      5.290904      7.967391
  C       0.887938      2.727123      6.929293
  C       0.642216      2.669157      5.428604
  N      -0.608603      1.960309      5.206463
  H      -1.739444      6.325067      7.565290
  H      -1.875074      5.378028      9.059346
  H       0.127368      5.154314      6.768116
  H       0.422284      4.988688      8.520829
  H       1.483324      2.180740      4.909081
  H       0.590585      3.707461      5.046150
  H       1.056363      1.711051      7.309750
  H       1.753147      3.355869      7.203461
  H      -1.702317      0.926740      9.589377
  H      -0.591346      0.518462      8.268455
  H      -1.328794      3.271365      9.396756
  H       0.282611      2.503823      9.419861
  C      -4.026790      4.763514      7.504906
  C      -4.776694      3.977530      6.473818
  C      -6.001220      4.235649      5.971064
  C      -6.605186      3.488487      4.872596
  N      -5.775234      2.864987      4.025366
  C      -6.321092      2.206704      2.979685
  N      -7.600588      2.123389      2.652844
  C      -8.474229      2.736864      3.507195
  C      -9.859772      2.697219      3.216290
  C     -10.766933      3.318762      4.049771
  C     -10.327538      3.996444      5.208481
  C      -8.981739      4.057228      5.513367
  C      -8.024481      3.453589      4.662513
  C      -0.457515      0.675269      4.467032
  C      -1.211113     -0.484753      5.022280
  C      -2.261240     -1.120890      4.442628
  C      -2.945984     -0.912080      3.140850
  N      -2.817095      0.222575      2.416664
  C      -3.555270      0.322763      1.296454
  N      -4.460479     -0.516002      0.813634
  C      -4.570983     -1.697563      1.484911
  C      -5.478410     -2.672968      1.000405
  C      -5.582036     -3.899717      1.618286
  C      -4.774437     -4.201944      2.739110
  C      -3.896148     -3.264727      3.242757
  C      -3.782339     -1.977060      2.650502
  C      -3.513137      0.484407      7.882142
  C      -4.732156      1.166351      8.436947
  C      -6.012068      1.134969      7.991598
  C      -6.566484      0.437902      6.832324
  N      -5.731032     -0.174034      5.990847
  C      -6.218846     -0.710860      4.855351
  N      -7.483334     -0.772230      4.475861
  C      -8.384868     -0.201974      5.334525
  C      -9.761818     -0.273423      5.015252
  C     -10.707296      0.262655      5.865122
  C     -10.313295      0.889680      7.066495
  C      -8.976137      0.977838      7.402990
  C      -7.980933      0.430506      6.557623
  H      -4.198797      5.851569      7.363698
  H      -4.393432      4.523076      8.532157
  H      -4.260996      3.063788      6.106574
  H      -6.579804      5.056730      6.404665
  H      -5.607940      1.699433      2.317997
  H     -10.175260      2.157832      2.322079
  H     -11.833358      3.280535      3.820149
  H     -11.057282      4.469345      5.867801
  H      -8.655084      4.572463      6.417397
  H       0.617497      0.419610      4.448354
  H      -0.780626      0.839301      3.426851
  H      -0.906357     -0.833733      6.013805
  H      -2.680096     -1.946820      5.016460
  H      -3.415485      1.250642      0.731087
  H      -6.075090     -2.417000      0.123804
  H      -6.281163     -4.646684      1.238364
  H      -4.847777     -5.183615      3.209727
  H      -3.280014     -3.527755      4.101415
  H      -3.187176     -0.270106      8.623779
  H      -3.784048     -0.050971      6.965803
  H      -4.542614      1.776910      9.328155
  H      -6.723905      1.748914      8.546033
  H      -5.450384     -1.115397      4.180962
  H     -10.038775     -0.763473      4.080857
  H     -11.766581      0.205587      5.608400
  H     -11.069994      1.310057      7.731045
  H      -8.691358      1.457213      8.339716
  N      -2.013251      4.354746      4.423667
  H      -1.129757      4.871914      4.376194
  H      -2.752909      5.059890      4.479652
  H      -2.120023      3.872121      3.527670
  N      -3.199551      1.518513      5.103724
  N      -3.664313      0.637079      4.549875
95
Coordinates from ORCA-job orca E -6310.778714006506
  N      -2.643139      4.418690      7.341054
  Mo     -2.179685      2.795020      6.168642
  N      -2.395114      1.417297      7.653612
  C      -1.319207      1.279944      8.618428
  C      -0.646973      2.621114      8.849472
  N      -0.355190      3.268990      7.546334
  C      -0.284621      4.741322      7.704381
  C      -1.690592      5.291019      7.967327
  C       0.887481      2.730831      6.938573
  C       0.639921      2.669082      5.438310
  N      -0.609681      1.957624      5.213645
  H      -1.750565      6.325491      7.565307
  H      -1.884929      5.380595      9.059567
  H       0.116813      5.154735      6.768205
  H       0.413115      5.001959      8.520953
  H       1.481951      2.184016      4.916829
  H       0.586817      3.707240      5.055637
  H       1.057687      1.716492      7.322763
  H       1.752049      3.361400      7.210629
  H      -1.690100      0.921518      9.596128
  H      -0.574714      0.525192      8.276647
  H      -1.330021      3.273690      9.407213
  H       0.285230      2.514954      9.433147
  C      -4.037194      4.768777      7.507521
  C      -4.792496      3.985259      6.480207
  C      -6.014220      4.248183      5.972962
  C      -6.614448      3.495846      4.876219
  N      -5.779956      2.858275      4.043419
  C      -6.317817      2.188964      3.000876
  N      -7.594516      2.105150      2.664180
  C      -8.473348      2.735927      3.501068
  C      -9.855555      2.702675      3.194501
  C     -10.767362      3.344382      4.007354
  C     -10.336396      4.035670      5.161034
  C      -8.993991      4.089880      5.481418
  C      -8.031630      3.465947      4.651407
  C      -0.459870      0.683995      4.459244
  C      -1.212592     -0.486564      4.996065
  C      -2.261109     -1.123804      4.414793
  C      -2.945935     -0.921533      3.119229
  N      -2.820071      0.211363      2.399890
  C      -3.558077      0.315285      1.278307
  N      -4.459326     -0.525067      0.795440
  C      -4.567777     -1.709663      1.463943
  C      -5.474888     -2.683150      0.976591
  C      -5.577240     -3.911737      1.591655
  C      -4.768877     -4.215184      2.711120
  C      -3.891096     -3.278499      3.217449
  C      -3.778934     -1.990402      2.628438
  C      -3.496985      0.476338      7.885312
  C      -4.715910      1.151537      8.447941
  C      -5.998374      1.114385      8.011678
  C      -6.558950      0.413892      6.858289
  N      -5.730214     -0.211673      6.020744
  C      -6.224886     -0.744919      4.886135
  N      -7.489077     -0.790449      4.505439
  C      -8.385183     -0.210457      5.363560
  C      -9.762578     -0.270222      5.045137
  C     -10.702500      0.273650      5.896069
  C     -10.301574      0.898218      7.096336
  C      -8.963521      0.976440      7.430815
  C      -7.973849      0.419698      6.585022
  H      -4.204905      5.857270      7.363290
  H      -4.404605      4.534814      8.536321
  H      -4.286694      3.067316      6.114060
  H      -6.591140      5.075964      6.396429
  H      -5.599154      1.671432      2.351833
  H     -10.164992      2.152658      2.304733
  H     -11.831177      3.311322      3.765397
  H     -11.070070      4.524056      5.804422
  H      -8.673625      4.615790      6.381471
  H       0.616359      0.432463      4.442744
  H      -0.778777      0.855080      3.418447
  H      -0.909104     -0.842896      5.985712
  H      -2.673946     -1.953282      4.988394
  H      -3.422999      1.246314      0.717450
  H      -6.072228     -2.424537      0.101339
  H      -6.276040     -4.658445      1.210925
  H      -4.841232     -5.197837      3.179769
  H      -3.275373     -3.543674      4.075846
  H      -3.166456     -0.280990      8.622457
  H      -3.767126     -0.057993      6.968253
  H      -4.523149      1.765103      9.336275
  H      -6.707420      1.728883      8.568738
  H      -5.463286     -1.158028      4.209737
  H     -10.044653     -0.757993      4.111170
  H     -11.762429      0.225506      5.640632
  H     -11.053840      1.325584      7.761330
  H      -8.674076      1.454780      8.366494
  N      -2.004670      4.356189      4.429752
  H      -1.122051      4.873701      4.377383
  H      -2.746816      5.057993      4.489561
  H      -2.116123      3.868382      3.537416
  N      -3.234558      1.554884      5.106525
  N      -3.708450      0.670120      4.556986
95
Coordinates from ORCA-job orca E -6310.788412213851
  N      -2.660579      4.408411      7.339197
  Mo     -2.170961      2.778694      6.180860
  N      -2.378067      1.406737      7.660407
  C      -1.303055      1.277294      8.627697
  C      -0.644082      2.625385      8.859636
  N      -0.356896      3.271958      7.554413
  C      -0.300379      4.745372      7.702585
  C      -1.710568      5.285578      7.962824
  C       0.888257      2.738183      6.945760
  C       0.641558      2.669649      5.445605
  N      -0.604048      1.951182      5.219262
  H      -1.774892      6.319932      7.560504
  H      -1.903969      5.377164      9.055345
  H       0.097642      5.155539      6.763493
  H       0.395797      5.018911      8.516499
  H       1.487151      2.189994      4.924509
  H       0.583582      3.706788      5.060453
  H       1.063437      1.726541      7.334723
  H       1.749868      3.373932      7.215425
  H      -1.672462      0.912761      9.603727
  H      -0.550607      0.530367      8.286738
  H      -1.333952      3.273328      9.414388
  H       0.288078      2.529258      9.445256
  C      -4.054155      4.759862      7.507509
  C      -4.815178      3.978178      6.484477
  C      -6.036900      4.247428      5.978126
  C      -6.641473      3.503248      4.877617
  N      -5.811580      2.873505      4.035480
  C      -6.353068      2.214692      2.987807
  N      -7.631100      2.133721      2.655090
  C      -8.505972      2.759326      3.499924
  C      -9.889143      2.732234      3.196479
  C     -10.797129      3.370794      4.016058
  C     -10.361388      4.052094      5.174076
  C      -9.018106      4.099373      5.491888
  C      -8.059441      3.477965      4.655521
  C      -0.452627      0.689512      4.451579
  C      -1.201248     -0.487842      4.980221
  C      -2.246443     -1.130857      4.401420
  C      -2.933187     -0.939295      3.111262
  N      -2.813914      0.192898      2.394502
  C      -3.555439      0.298504      1.274172
  N      -4.452248     -0.546357      0.792885
  C      -4.554243     -1.733272      1.460008
  C      -5.460155     -2.707927      0.973431
  C      -5.557900     -3.937463      1.588209
  C      -4.746548     -4.239119      2.705781
  C      -3.869950     -3.300422      3.211529
  C      -3.762706     -2.012774      2.622625
  C      -3.474764      0.457688      7.884692
  C      -4.694899      1.127491      8.449574
  C      -5.978318      1.089378      8.016489
  C      -6.543512      0.386275      6.866843
  N      -5.722810     -0.265928      6.041860
  C      -6.222509     -0.795560      4.906808
  N      -7.484318     -0.813739      4.516641
  C      -8.373669     -0.209202      5.364910
  C      -9.749528     -0.239799      5.036154
  C     -10.682821      0.330688      5.876840
  C     -10.276008      0.954519      7.075735
  C      -8.938943      1.005797      7.418937
  C      -7.956181      0.420861      6.584014
  H      -4.220557      5.848428      7.361363
  H      -4.419844      4.530394      8.538121
  H      -4.315148      3.058080      6.119577
  H      -6.610282      5.078057      6.401042
  H      -5.635989      1.706038      2.329931
  H     -10.202383      2.190121      2.303200
  H     -11.861540      3.343062      3.776042
  H     -11.092037      4.538061      5.822722
  H      -8.693702      4.617082      6.395216
  H       0.624570      0.440752      4.435788
  H      -0.768897      0.864518      3.410367
  H      -0.896052     -0.845198      5.969232
  H      -2.651316     -1.962449      4.978299
  H      -3.430537      1.234137      0.719029
  H      -6.060463     -2.449575      0.100183
  H      -6.255835     -4.685754      1.209101
  H      -4.815599     -5.222079      3.174293
  H      -3.252438     -3.564547      4.069070
  H      -3.143154     -0.302725      8.618443
  H      -3.740091     -0.074192      6.965144
  H      -4.500470      1.745593      9.334327
  H      -6.684146      1.709420      8.571332
  H      -5.468208     -1.228129      4.235347
  H     -10.035808     -0.726622      4.103009
  H     -11.741710      0.304999      5.614111
  H     -11.023005      1.403485      7.732346
  H      -8.645661      1.485070      8.352899
  N      -2.000418      4.348017      4.434017
  H      -1.121000      4.869793      4.375571
  H      -2.747942      5.043479      4.497212
  H      -2.114751      3.854265      3.545500
  N      -3.262067      1.577971      5.110919
  N      -3.741443      0.695571      4.571669
95
Coordinates from ORCA-job orca E -6310.796938272208
  N      -2.676542      4.401889      7.334990
  Mo     -2.162125      2.765573      6.193446
  N      -2.364082      1.399211      7.667364
  C      -1.290039      1.276376      8.637180
  C      -0.642438      2.629953      8.869273
  N      -0.359117      3.274360      7.562062
  C      -0.313987      4.748498      7.699830
  C      -1.727454      5.282157      7.956514
  C       0.887976      2.742861      6.953203
  C       0.644031      2.667254      5.452726
  N      -0.598620      1.944285      5.224047
  H      -1.794085      6.316344      7.553592
  H      -1.920466      5.376272      9.049171
  H       0.081512      5.154105      6.757688
  H       0.380583      5.034326      8.511112
  H       1.493249      2.191047      4.934033
  H       0.583673      3.703285      5.064195
  H       1.065909      1.733642      7.347052
  H       1.747632      3.382247      7.220803
  H      -1.658186      0.906812      9.611786
  H      -0.531023      0.536104      8.296753
  H      -1.338406      3.274193      9.420720
  H       0.289404      2.542467      9.456825
  C      -4.069180      4.759723      7.504793
  C      -4.838920      3.981180      6.486922
  C      -6.058662      4.257169      5.980075
  C      -6.662560      3.507563      4.882324
  N      -5.831238      2.862536      4.053809
  C      -6.367802      2.191886      3.011042
  N      -7.643759      2.112925      2.670666
  C      -8.520706      2.758244      3.498841
  C      -9.901147      2.739415      3.182213
  C     -10.810775      3.399351      3.982553
  C     -10.380005      4.093649      5.134835
  C      -9.039783      4.132283      5.465739
  C      -8.078876      3.489159      4.648529
  C      -0.450130      0.694542      4.441694
  C      -1.200786     -0.486311      4.962430
  C      -2.244187     -1.132333      4.384218
  C      -2.930007     -0.946497      3.096566
  N      -2.811629      0.187278      2.385661
  C      -3.555184      0.301022      1.266824
  N      -4.449329     -0.543524      0.781890
  C      -4.549936     -1.734195      1.443293
  C      -5.456519     -2.706038      0.952977
  C      -5.555108     -3.937652      1.563926
  C      -4.744701     -4.243492      2.680722
  C      -3.867394     -3.307138      3.190282
  C      -3.759352     -2.018885      2.604835
  C      -3.454084      0.441373      7.888229
  C      -4.671838      1.105885      8.462707
  C      -5.957925      1.064267      8.040212
  C      -6.527852      0.354497      6.897587
  N      -5.713229     -0.322080      6.087055
  C      -6.215486     -0.851661      4.952649
  N      -7.474046     -0.848881      4.553057
  C      -8.358975     -0.223623      5.390805
  C      -9.732907     -0.234760      5.053325
  C     -10.661590      0.356768      5.884159
  C     -10.251589      0.983719      7.080428
  C      -8.916146      1.017428      7.430884
  C      -7.938080      0.409901      6.606547
  H      -4.230690      5.848806      7.356188
  H      -4.433604      4.536550      8.537436
  H      -4.345252      3.059103      6.125524
  H      -6.628477      5.095248      6.393170
  H      -5.647505      1.670628      2.365483
  H     -10.210837      2.187078      2.294021
  H     -11.872869      3.378529      3.731960
  H     -11.112240      4.596477      5.768598
  H      -8.719005      4.660220      6.364348
  H       0.626588      0.441595      4.426258
  H      -0.762348      0.875934      3.400228
  H      -0.895666     -0.845000      5.951071
  H      -2.644723     -1.965426      4.962608
  H      -3.436477      1.242716      0.721020
  H      -6.057055     -2.443893      0.081103
  H      -6.253800     -4.684075      1.182687
  H      -4.815000     -5.227776      3.146189
  H      -3.250675     -3.573894      4.047652
  H      -3.117144     -0.321993      8.616630
  H      -3.719222     -0.088346      6.967488
  H      -4.471034      1.728931      9.342508
  H      -6.660007      1.688302      8.594910
  H      -5.466551     -1.302241      4.287981
  H     -10.021265     -0.723651      4.121991
  H     -11.719120      0.346253      5.615379
  H     -10.995062      1.449960      7.728825
  H      -8.621275      1.500467      8.362242
  N      -1.994037      4.341381      4.440030
  H      -1.117333      4.866487      4.374896
  H      -2.745861      5.031559      4.506637
  H      -2.111986      3.842768      3.554877
  N      -3.290854      1.607839      5.113530
  N      -3.782181      0.726066      4.577764
95
Coordinates from ORCA-job orca E -6310.804566093255
  N      -2.698089      4.386880      7.328416
  Mo     -2.152729      2.746287      6.205022
  N      -2.345673      1.384119      7.674545
  C      -1.272421      1.273215      8.647756
  C      -0.640088      2.634647      8.877203
  N      -0.362753      3.276855      7.566954
  C      -0.333958      4.751706      7.693602
  C      -1.752403      5.273496      7.947666
  C       0.888402      2.751716      6.958273
  C       0.649046      2.666804      5.457301
  N      -0.587942      1.935208      5.226836
  H      -1.825441      6.307276      7.544246
  H      -1.944880      5.369153      9.040611
  H       0.057077      5.153752      6.748000
  H       0.358095      5.052681      8.501824
  H       1.504158      2.195646      4.943209
  H       0.583630      3.701042      5.063567
  H       1.072207      1.745683      7.357524
  H       1.743867      3.397816      7.223858
  H      -1.638042      0.899236      9.621657
  H      -0.504630      0.541529      8.308647
  H      -1.344368      3.273565      9.424418
  H       0.291735      2.559647      9.466696
  C      -4.090386      4.747843      7.501784
  C      -4.870180      3.973050      6.489592
  C      -6.090239      4.257443      5.987513
  C      -6.700371      3.513725      4.888047
  N      -5.874858      2.869105      4.055036
  C      -6.415879      2.204393      3.010237
  N      -7.692821      2.133104      2.671642
  C      -8.564400      2.782895      3.501995
  C      -9.945073      2.776831      3.184589
  C     -10.849203      3.443126      3.985751
  C     -10.412999      4.130552      5.140500
  C      -9.072850      4.155709      5.472655
  C      -8.117069      3.505544      4.654645
  C      -0.438651      0.697511      4.431276
  C      -1.186776     -0.485834      4.951621
  C      -2.226960     -1.140022      4.377550
  C      -2.914825     -0.963294      3.092135
  N      -2.803225      0.172683      2.384710
  C      -3.553975      0.290757      1.270661
  N      -4.444286     -0.557517      0.784935
  C      -4.536424     -1.751571      1.441980
  C      -5.441198     -2.725553      0.952235
  C      -5.534102     -3.958645      1.561541
  C      -4.720387     -4.264051      2.676089
  C      -3.844617     -3.325738      3.185321
  C      -3.742225     -2.036978      2.600711
  C      -3.426478      0.414357      7.889492
  C      -4.645245      1.071532      8.468563
  C      -5.932900      1.029912      8.050593
  C      -6.506675      0.319085      6.909922
  N      -5.701261     -0.386533      6.115299
  C      -6.206485     -0.910532      4.978588
  N      -7.459971     -0.877212      4.565312
  C      -8.337601     -0.225438      5.390132
  C      -9.707886     -0.203980      5.038133
  C     -10.628952      0.417382      5.855231
  C     -10.214587      1.043224      7.050897
  C      -8.882407      1.046185      7.414409
  C      -7.912184      0.407211      6.604467
  H      -4.249021      5.837417      7.352701
  H      -4.450869      4.528548      8.536797
  H      -4.379586      3.050476      6.131005
  H      -6.654124      5.100439      6.398903
  H      -5.698181      1.683862      2.360944
  H     -10.259071      2.229828      2.294498
  H     -11.911275      3.433011      3.733953
  H     -11.141115      4.638842      5.774816
  H      -8.747545      4.678348      6.372813
  H       0.638095      0.442230      4.414630
  H      -0.749160      0.882551      3.389952
  H      -0.878450     -0.840507      5.940872
  H      -2.620492     -1.974146      4.959927
  H      -3.448536      1.239295      0.734174
  H      -6.045707     -2.463632      0.082941
  H      -6.231831     -4.706510      1.181099
  H      -4.786924     -5.249314      3.140217
  H      -3.224923     -3.590941      4.041214
  H      -3.085101     -0.352406      8.612504
  H      -3.687114     -0.111614      6.965707
  H      -4.441290      1.698897      9.344635
  H      -6.631719      1.658671      8.603938
  H      -5.464475     -1.383645      4.322529
  H      -9.999192     -0.691571      4.106969
  H     -11.683713      0.432441      5.575803
  H     -10.952252      1.533735      7.688008
  H      -8.584829      1.530109      8.344456
  N      -1.993521      4.327884      4.444497
  H      -1.121781      4.860094      4.371398
  H      -2.752134      5.010115      4.514532
  H      -2.113441      3.824163      3.562501
  N      -3.312336      1.624300      5.119128
  N      -3.813165      0.745364      4.589221
95
Coordinates from ORCA-job orca E -6310.811432224295
  N      -2.719019      4.373517      7.321347
  Mo     -2.144442      2.729152      6.217090
  N      -2.328068      1.370027      7.682929
  C      -1.254976      1.270965      8.658371
  C      -0.636382      2.639552      8.883551
  N      -0.366029      3.278848      7.569800
  C      -0.352301      4.754191      7.685187
  C      -1.774995      5.265308      7.937889
  C       0.888359      2.759396      6.960689
  C       0.653158      2.665255      5.459155
  N      -0.578816      1.926495      5.227730
  H      -1.854026      6.298614      7.534100
  H      -1.966152      5.362362      9.031160
  H       0.033607      5.152138      6.735757
  H       0.337858      5.069863      8.489596
  H       1.513677      2.197597      4.950561
  H       0.584184      3.697467      5.059521
  H       1.077272      1.756366      7.364917
  H       1.740195      3.411349      7.223952
  H      -1.617294      0.893771      9.632243
  H      -0.479765      0.547020      8.319891
  H      -1.347890      3.273765      9.426915
  H       0.295756      2.576543      9.473897
  C      -4.110146      4.741057      7.500082
  C      -4.903512      3.971623      6.495084
  C      -6.123103      4.264712      5.998872
  C      -6.737825      3.518831      4.902370
  N      -5.915467      2.859570      4.078764
  C      -6.457434      2.187039      3.039204
  N      -7.733536      2.123928      2.696270
  C      -8.601947      2.794101      3.513802
  C      -9.980568      2.802640      3.186704
  C     -10.880942      3.490731      3.973215
  C     -10.443684      4.185250      5.123589
  C      -9.106017      4.195295      5.465602
  C      -8.153373      3.522907      4.661922
  C      -0.432387      0.700747      4.418467
  C      -1.180338     -0.483051      4.939969
  C      -2.218399     -1.143600      4.370663
  C      -2.908545     -0.971583      3.087525
  N      -2.801954      0.167894      2.386323
  C      -3.561719      0.294132      1.279202
  N      -4.450148     -0.554654      0.791035
  C      -4.535161     -1.753354      1.440470
  C      -5.439847     -2.727090      0.949910
  C      -5.528712     -3.962615      1.554849
  C      -4.711519     -4.271356      2.665903
  C      -3.835495     -3.333694      3.175941
  C      -3.736782     -2.043229      2.594834
  C      -3.399211      0.388936      7.893363
  C      -4.617369      1.038682      8.479571
  C      -5.906113      0.994628      8.066792
  C      -6.479740      0.276534      6.930732
  N      -5.680729     -0.463641      6.161437
  C      -6.183911     -0.989937      5.024143
  N      -7.429108     -0.929013      4.590870
  C      -8.302530     -0.245185      5.393476
  C      -9.666479     -0.194849      5.020456
  C     -10.582797      0.461295      5.814866
  C     -10.169752      1.094490      7.007225
  C      -8.843546      1.070029      7.390164
  C      -7.878294      0.394786      6.603920
  H      -4.263269      5.831500      7.351019
  H      -4.465384      4.526275      8.537913
  H      -4.417031      3.048621      6.139663
  H      -6.680006      5.115254      6.403993
  H      -5.740764      1.652911      2.399302
  H     -10.295602      2.249958      2.300541
  H     -11.941090      3.492782      3.713392
  H     -11.169218      4.711152      5.746322
  H      -8.779678      4.723766      6.361893
  H       0.643564      0.440280      4.398700
  H      -0.742579      0.890746      3.378010
  H      -0.868388     -0.833667      5.929532
  H      -2.606481     -1.978410      4.956049
  H      -3.468110      1.249968      0.753650
  H      -6.048487     -2.462756      0.084286
  H      -6.226881     -4.709818      1.174016
  H      -4.775638     -5.258395      3.126486
  H      -3.212456     -3.599847      4.029091
  H      -3.051410     -0.381473      8.609408
  H      -3.657769     -0.132313      6.966312
  H      -4.409547      1.671649      9.350672
  H      -6.602975      1.628837      8.615875
  H      -5.447372     -1.491602      4.384652
  H      -9.956209     -0.687862      4.091745
  H     -11.632555      0.499303      5.519707
  H     -10.903795      1.613168      7.625764
  H      -8.547654      1.561467      8.316598
  N      -1.995272      4.315902      4.450582
  H      -1.128731      4.855037      4.368391
  H      -2.760014      4.990567      4.525166
  H      -2.118165      3.808259      3.571289
  N      -3.334567      1.641964      5.126785
  N      -3.848830      0.768785      4.600267
95
Coordinates from ORCA-job orca E -6310.817625491452
  N      -2.746165      4.352570      7.313330
  Mo     -2.138410      2.707193      6.228570
  N      -2.307883      1.350402      7.692795
  C      -1.234645      1.267544      8.670276
  C      -0.633036      2.644931      8.888613
  N      -0.372027      3.280904      7.570418
  C      -0.377616      4.756591      7.674321
  C      -1.805721      5.252127      7.927100
  C       0.886967      2.770955      6.960801
  C       0.656193      2.666536      5.458818
  N      -0.568580      1.917053      5.227445
  H      -1.894490      6.284760      7.523310
  H      -1.995229      5.349413      9.020884
  H       0.001201      5.151567      6.720734
  H       0.310016      5.089039      8.474373
  H       1.523508      2.203700      4.956842
  H       0.581557      3.696195      5.052144
  H       1.083979      1.771461      7.369897
  H       1.733262      3.431298      7.221667
  H      -1.592242      0.888018      9.645054
  H      -0.450432      0.552717      8.333043
  H      -1.353225      3.273075      9.427744
  H       0.299818      2.597234      9.479315
  C      -4.136437      4.724148      7.499318
  C      -4.944295      3.960772      6.501761
  C      -6.165058      4.263389      6.015018
  C      -6.789927      3.524793      4.917871
  N      -5.976894      2.860484      4.090371
  C      -6.527926      2.195159      3.050427
  N      -7.805394      2.147544      2.709602
  C      -8.663912      2.828902      3.527997
  C     -10.042191      2.859959      3.199362
  C     -10.932062      3.561937      3.985422
  C     -10.485032      4.247670      5.137714
  C      -9.148041      4.234614      5.481835
  C      -8.205441      3.547513      4.678427
  C      -0.420899      0.703192      4.405407
  C      -1.162778     -0.483028      4.930874
  C      -2.196794     -1.155279      4.367975
  C      -2.892089     -0.990830      3.087909
  N      -2.798309      0.152788      2.391550
  C      -3.572032      0.282672      1.294316
  N      -4.455869     -0.571577      0.806615
  C      -4.524644     -1.775516      1.448472
  C      -5.424702     -2.754666      0.959699
  C      -5.500434     -3.993152      1.560498
  C      -4.674660     -4.300280      2.665839
  C      -3.802585     -3.357878      3.174021
  C      -3.716878     -2.064935      2.596197
  C      -3.366576      0.355022      7.897894
  C      -4.586422      0.995173      8.489675
  C      -5.875793      0.951740      8.078347
  C      -6.448893      0.234392      6.941511
  N      -5.659377     -0.539960      6.196111
  C      -6.160189     -1.060653      5.054258
  N      -7.394302     -0.964225      4.597376
  C      -8.260992     -0.247763      5.378172
  C      -9.615833     -0.159558      4.979810
  C     -10.524650      0.533446      5.750888
  C     -10.112638      1.166840      6.943669
  C      -8.794954      1.105422      7.350711
  C      -7.837648      0.391660      6.588914
  H      -4.285462      5.815534      7.352189
  H      -4.484290      4.511712      8.540207
  H      -4.460114      3.038042      6.148389
  H      -6.712808      5.119740      6.420261
  H      -5.817568      1.655574      2.408031
  H     -10.364987      2.314067      2.311654
  H     -11.991678      3.582461      3.723713
  H     -11.202681      4.785351      5.759727
  H      -8.813859      4.756648      6.379121
  H       0.655371      0.442011      4.381137
  H      -0.733328      0.896222      3.366284
  H      -0.844269     -0.826488      5.920981
  H      -2.575437     -1.991984      4.957251
  H      -3.498104      1.246287      0.779836
  H      -6.041601     -2.491744      0.099357
  H      -6.195710     -4.743973      1.181166
  H      -4.729122     -5.289537      3.123104
  H      -3.171911     -3.621045      4.022697
  H      -3.010969     -0.419340      8.605930
  H      -3.621247     -0.160583      6.966731
  H      -4.376766      1.631771      9.357800
  H      -6.570821      1.590183      8.624723
  H      -5.430954     -1.591427      4.431054
  H      -9.903930     -0.652324      4.050374
  H     -11.567259      0.601834      5.436454
  H     -10.840741      1.715666      7.542953
  H      -8.500371      1.599104      8.276349
  N      -2.004897      4.298147      4.455639
  H      -1.145482      4.847191      4.363603
  H      -2.777677      4.963008      4.534938
  H      -2.129294      3.786493      3.578752
  N      -3.352648      1.644793      5.137561
  N      -3.879228      0.775947      4.613611
95
Coordinates from ORCA-job orca E -6310.823106835992
  N      -2.768177      4.337930      7.303634
  Mo     -2.131752      2.690572      6.239853
  N      -2.289685      1.335760      7.703269
  C      -1.216993      1.267213      8.682586
  C      -0.628789      2.651669      8.893412
  N      -0.375592      3.282808      7.570669
  C      -0.396869      4.758808      7.662857
  C      -1.828930      5.242507      7.915308
  C       0.886587      2.779140      6.961075
  C       0.660316      2.664580      5.458451
  N      -0.559809      1.908721      5.227664
  H      -1.924838      6.274519      7.511676
  H      -2.017267      5.340054      9.009328
  H      -0.024110      5.149569      6.705229
  H       0.288612      5.106240      8.458457
  H       1.532799      2.202539      4.964460
  H       0.584373      3.691246      5.043513
  H       1.088582      1.782713      7.374997
  H       1.729063      3.445193      7.219746
  H      -1.570980      0.887144      9.658441
  H      -0.425950      0.559319      8.347092
  H      -1.355916      3.275632      9.428055
  H       0.304383      2.617254      9.484252
  C      -4.156619      4.718421      7.496175
  C      -4.981057      3.962625      6.506603
  C      -6.200737      4.274437      6.026380
  C      -6.829926      3.530460      4.934324
  N      -6.019667      2.844363      4.122548
  C      -6.571534      2.166754      3.091212
  N      -7.847123      2.129250      2.742749
  C      -8.701698      2.837828      3.541479
  C     -10.076570      2.884370      3.199880
  C     -10.962119      3.613864      3.965244
  C     -10.514903      4.311986      5.110202
  C      -9.181796      4.283001      5.467499
  C      -8.242977      3.567634      4.684519
  C      -0.417737      0.705107      4.393610
  C      -1.159815     -0.480392      4.922958
  C      -2.191284     -1.159262      4.365100
  C      -2.889361     -0.995367      3.087835
  N      -2.800094      0.152847      2.399744
  C      -3.585017      0.293374      1.311808
  N      -4.468459     -0.559194      0.820877
  C      -4.530099     -1.769153      1.452082
  C      -5.430284     -2.746752      0.960611
  C      -5.501680     -3.989110      1.553698
  C      -4.671386     -4.302366      2.653895
  C      -3.798555     -3.361996      3.164278
  C      -3.716767     -2.065637      2.593607
  C      -3.336562      0.327604      7.903497
  C      -4.556705      0.956617      8.504944
  C      -5.847125      0.909539      8.098124
  C      -6.417811      0.188201      6.963514
  N      -5.636150     -0.619553      6.244749
  C      -6.133490     -1.141827      5.101453
  N      -7.356225     -1.018355      4.622110
  C      -8.217922     -0.270701      5.379020
  C      -9.563662     -0.155700      4.958039
  C     -10.466662      0.570353      5.705082
  C     -10.056920      1.211283      6.894462
  C      -8.747530      1.123797      7.322867
  C      -7.796786      0.375420      6.586525
  H      -4.297261      5.811111      7.350506
  H      -4.498025      4.509940      8.539895
  H      -4.502330      3.039057      6.156103
  H      -6.739853      5.139479      6.424022
  H      -5.863387      1.606490      2.464767
  H     -10.399842      2.328656      2.318566
  H     -12.018610      3.647310      3.692829
  H     -11.229478      4.872109      5.715557
  H      -8.847436      4.814784      6.358816
  H       0.657373      0.438406      4.364040
  H      -0.732775      0.903115      3.356328
  H      -0.837275     -0.818265      5.913639
  H      -2.565764     -1.996207      4.956730
  H      -3.521065      1.263748      0.808552
  H      -6.051774     -2.479390      0.105060
  H      -6.197623     -4.738216      1.172482
  H      -4.722980     -5.294545      3.104892
  H      -3.163383     -3.628311      4.008536
  H      -2.970950     -0.451208      8.601357
  H      -3.590242     -0.181235      6.968182
  H      -4.344600      1.596396      9.370024
  H      -6.541932      1.548817      8.643442
  H      -5.411148     -1.701923      4.496767
  H      -9.849013     -0.653976      4.030858
  H     -11.502075      0.660197      5.373699
  H     -10.780041      1.786983      7.473803
  H      -8.455217      1.624762      8.245107
  N      -2.010084      4.285002      4.461784
  H      -1.156923      4.841972      4.360596
  H      -2.789136      4.941687      4.546123
  H      -2.136712      3.770628      3.586789
  N      -3.370763      1.654177      5.148367
  N      -3.914513      0.798104      4.625360
95
Coordinates from ORCA-job orca E -6310.827903717465
  N      -2.794014      4.317466      7.286740
  Mo     -2.125048      2.669093      6.246825
  N      -2.274152      1.317955      7.712226
  C      -1.204997      1.266053      8.696675
  C      -0.631793      2.658094      8.899142
  N      -0.383055      3.282945      7.571813
  C      -0.422094      4.759122      7.651512
  C      -1.859211      5.228338      7.899931
  C       0.884802      2.786900      6.966716
  C       0.668041      2.660674      5.463068
  N      -0.546248      1.897240      5.230651
  H      -1.962989      6.259755      7.496710
  H      -2.050007      5.325041      8.993736
  H      -0.053268      5.145944      6.690718
  H       0.258438      5.122561      8.444418
  H       1.547440      2.198310      4.981193
  H       0.592357      3.683532      5.037570
  H       1.091608      1.793887      7.386518
  H       1.721916      3.459759      7.225669
  H      -1.558185      0.887769      9.673617
  H      -0.405793      0.564441      8.367015
  H      -1.368031      3.277858      9.426329
  H       0.299971      2.638911      9.492850
  C      -4.181471      4.705150      7.481802
  C      -5.019516      3.958184      6.496936
  C      -6.237622      4.281072      6.020939
  C      -6.872657      3.542828      4.927031
  N      -6.068225      2.854440      4.112249
  C      -6.625957      2.183484      3.079752
  N      -7.902000      2.156198      2.731989
  C      -8.749543      2.870527      3.531755
  C     -10.124084      2.930533      3.189967
  C     -11.003045      3.666540      3.956696
  C     -10.549731      4.357794      5.103796
  C      -9.217117      4.315130      5.461573
  C      -8.284835      3.592389      4.677260
  C      -0.404574      0.702666      4.386948
  C      -1.144650     -0.483577      4.919091
  C      -2.170314     -1.173121      4.362840
  C      -2.867563     -1.012679      3.085949
  N      -2.784256      0.139489      2.403611
  C      -3.577144      0.285983      1.321930
  N      -4.456432     -0.568779      0.826935
  C      -4.508909     -1.784022      1.449591
  C      -5.403733     -2.764317      0.953640
  C      -5.467621     -4.010289      1.540324
  C      -4.634738     -4.324995      2.638306
  C      -3.766444     -3.382372      3.152500
  C      -3.692370     -2.082928      2.587938
  C      -3.307913      0.295434      7.906746
  C      -4.527892      0.910559      8.523316
  C      -5.821808      0.865263      8.126129
  C      -6.398387      0.157840      6.986882
  N      -5.629928     -0.667994      6.273882
  C      -6.132023     -1.173011      5.124168
  N      -7.347609     -1.018615      4.635465
  C      -8.199380     -0.256378      5.389730
  C      -9.540511     -0.114261      4.962519
  C     -10.433012      0.626897      5.707850
  C     -10.015782      1.257565      6.900104
  C      -8.709994      1.143678      7.334184
  C      -7.770806      0.377498      6.600926
  H      -4.313707      5.799280      7.338816
  H      -4.519177      4.498737      8.527111
  H      -4.545409      3.033060      6.149482
  H      -6.768195      5.151736      6.417500
  H      -5.923042      1.619529      2.452365
  H     -10.452217      2.380070      2.306980
  H     -12.059084      3.711161      3.683575
  H     -11.259276      4.923906      5.709732
  H      -8.877969      4.841343      6.354537
  H       0.670420      0.433857      4.355000
  H      -0.720687      0.903750      3.350772
  H      -0.820448     -0.813491      5.912026
  H      -2.540726     -2.010890      4.956215
  H      -3.523566      1.262004      0.827944
  H      -6.028104     -2.496078      0.100283
  H      -6.160081     -4.761139      1.155833
  H      -4.680777     -5.319896      3.084151
  H      -3.128147     -3.648326      3.994855
  H      -2.930256     -0.489297      8.591558
  H      -3.561945     -0.204882      6.966693
  H      -4.310593      1.546306      9.390192
  H      -6.513133      1.497870      8.683614
  H      -5.419873     -1.749023      4.521797
  H      -9.830732     -0.603823      4.032117
  H     -11.465013      0.737970      5.372314
  H     -10.730062      1.846465      7.477221
  H      -8.412461      1.637356      8.258772
  N      -2.010724      4.264053      4.462094
  H      -1.164032      4.829912      4.354585
  H      -2.797051      4.911823      4.547972
  H      -2.135585      3.746220      3.588663
  N      -3.380308      1.649609      5.153969
  N      -3.940720      0.803940      4.627268
95
Coordinates from ORCA-job orca E -6310.832110169491
  N      -2.813720      4.302978      7.268129
  Mo     -2.116968      2.651789      6.253456
  N      -2.260588      1.304791      7.721124
  C      -1.196348      1.267160      8.711617
  C      -0.634054      2.665209      8.905378
  N      -0.387230      3.282567      7.573387
  C      -0.440489      4.759019      7.640230
  C      -1.881480      5.217445      7.883962
  C       0.885130      2.790925      6.973749
  C       0.678092      2.653078      5.469191
  N      -0.533262      1.886622      5.235763
  H      -1.990447      6.248601      7.481752
  H      -2.075447      5.312840      8.977304
  H      -0.074275      5.140691      6.676457
  H       0.235470      5.136690      8.430469
  H       1.562336      2.185901      5.000673
  H       0.607260      3.671497      5.031732
  H       1.093711      1.800834      7.399498
  H       1.718525      3.468067      7.233396
  H      -1.551139      0.892842      9.689519
  H      -0.391117      0.569022      8.389630
  H      -1.377799      3.282828      9.424472
  H       0.295587      2.659048      9.502406
  C      -4.199694      4.700979      7.464048
  C      -5.051813      3.964165      6.483327
  C      -6.266334      4.298007      6.008521
  C      -6.903257      3.555841      4.917388
  N      -6.099571      2.855465      4.112052
  C      -6.657294      2.176061      3.085448
  N      -7.932253      2.152311      2.733396
  C      -8.778148      2.880195      3.522110
  C     -10.151751      2.942022      3.176521
  C     -11.029813      3.687600      3.934841
  C     -10.576773      4.386981      5.077336
  C      -9.245278      4.342529      5.438830
  C      -8.313890      3.609491      4.663128
  C      -0.397855      0.699451      4.383189
  C      -1.142107     -0.484278      4.917484
  C      -2.163286     -1.179524      4.361248
  C      -2.857578     -1.016605      3.084397
  N      -2.771656      0.139061      2.409505
  C      -3.568836      0.297201      1.332487
  N      -4.448940     -0.552789      0.831266
  C      -4.502820     -1.772725      1.445051
  C      -5.398857     -2.748410      0.942640
  C      -5.466101     -3.997449      1.522605
  C      -4.635445     -4.320022      2.619913
  C      -3.765297     -3.382119      3.139674
  C      -3.687348     -2.080439      2.581394
  C      -3.284069      0.271749      7.908914
  C      -4.501083      0.870853      8.545560
  C      -5.798010      0.824466      8.159333
  C      -6.377093      0.126702      7.016738
  N      -5.618013     -0.717108      6.313276
  C      -6.122059     -1.214038      5.160265
  N      -7.330695     -1.037910      4.662066
  C      -8.175261     -0.260153      5.409101
  C      -9.511634     -0.098629      4.974260
  C     -10.396730      0.658455      5.712836
  C      -9.975307      1.287776      6.904143
  C      -8.673246      1.155630      7.344958
  C      -7.742673      0.371169      6.619941
  H      -4.320267      5.796627      7.323290
  H      -4.535575      4.497668      8.510389
  H      -4.586437      3.035921      6.138712
  H      -6.789291      5.175816      6.398851
  H      -5.955884      1.599631      2.468231
  H     -10.479831      2.384766      2.297849
  H     -12.084916      3.733984      3.658704
  H     -11.285723      4.961132      5.676204
  H      -8.906540      4.874355      6.328523
  H       0.675599      0.423973      4.348486
  H      -0.715032      0.905621      3.348570
  H      -0.819430     -0.808040      5.912882
  H      -2.534946     -2.016054      4.955592
  H      -3.515317      1.277405      0.846687
  H      -6.022078     -2.474349      0.090366
  H      -6.159922     -4.744502      1.133384
  H      -4.684554     -5.317109      3.060363
  H      -3.127877     -3.653025      3.981106
  H      -2.894847     -0.521266      8.577598
  H      -3.542105     -0.215775      6.963066
  H      -4.277866      1.500549      9.415301
  H      -6.487806      1.447015      8.729725
  H      -5.419096     -1.807930      4.564814
  H      -9.804349     -0.586366      4.043760
  H     -11.425192      0.784095      5.372048
  H     -10.683077      1.890126      7.475244
  H      -8.372872      1.648997      8.268716
  N      -2.005201      4.246757      4.462630
  H      -1.163807      4.819363      4.350210
  H      -2.797263      4.887183      4.550020
  H      -2.128744      3.726373      3.590454
  N      -3.389416      1.652455      5.159058
  N      -3.970811      0.826755      4.627583
95
Coordinates from ORCA-job orca E -6310.835781549006
  N      -2.835907      4.283936      7.246517
  Mo     -2.109864      2.630835      6.257566
  N      -2.248539      1.289627      7.728843
  C      -1.191466      1.267862      8.727570
  C      -0.641052      2.672169      8.912185
  N      -0.394160      3.281608      7.575782
  C      -0.463539      4.757994      7.629912
  C      -1.909171      5.203126      7.867490
  C       0.884288      2.796365      6.984016
  C       0.689246      2.646438      5.478587
  N      -0.518328      1.875763      5.243273
  H      -2.024521      6.234268      7.467234
  H      -2.108153      5.295483      8.960224
  H      -0.099203      5.135258      6.663732
  H       0.206193      5.150426      8.418385
  H       1.578813      2.174224      5.025002
  H       0.623455      3.659873      5.028337
  H       1.095652      1.809480      7.415901
  H       1.712452      3.479142      7.245722
  H      -1.550118      0.899133      9.706275
  H      -0.379375      0.572740      8.416492
  H      -1.393560      3.287264      9.421589
  H       0.285297      2.680194      9.514139
  C      -4.221527      4.688477      7.440651
  C      -5.083893      3.961752      6.461276
  C      -6.294860      4.306608      5.986246
  C      -6.935639      3.567371      4.894356
  N      -6.135555      2.866042      4.086462
  C      -6.697488      2.190861      3.059498
  N      -7.972773      2.173846      2.708023
  C      -8.814460      2.903578      3.498891
  C     -10.188570      2.970640      3.156210
  C     -11.062880      3.715435      3.919555
  C     -10.605424      4.409132      5.063929
  C      -9.273283      4.359887      5.422270
  C      -8.345829      3.626811      4.641990
  C      -0.385028      0.695705      4.382622
  C      -1.130952     -0.487430      4.916816
  C      -2.145296     -1.190594      4.358113
  C      -2.836025     -1.026795      3.080411
  N      -2.749762      0.131894      2.410749
  C      -3.549600      0.297432      1.336652
  N      -4.428438     -0.550564      0.830151
  C      -4.481867     -1.774146      1.437404
  C      -5.376170     -2.748111      0.928926
  C      -5.444220     -3.999629      1.503853
  C      -4.616090     -4.326455      2.601689
  C      -3.746878     -3.390371      3.126624
  C      -3.667906     -2.087066      2.573103
  C      -3.261007      0.245511      7.908890
  C      -4.473490      0.827144      8.569454
  C      -5.774390      0.783612      8.196381
  C      -6.360987      0.105172      7.046797
  N      -5.614446     -0.748671      6.341003
  C      -6.125453     -1.229106      5.183538
  N      -7.329903     -1.029532      4.684197
  C      -8.163419     -0.243431      5.434993
  C      -9.497811     -0.061725      5.002087
  C     -10.372293      0.703323      5.745347
  C      -9.940687      1.323001      6.937989
  C      -8.639795      1.171660      7.376562
  C      -7.721235      0.376062      6.648268
  H      -4.332777      5.785459      7.303294
  H      -4.557638      4.485884      8.486951
  H      -4.627206      3.030039      6.118033
  H      -6.810552      5.189556      6.374371
  H      -6.000050      1.611336      2.441400
  H     -10.520127      2.417502      2.276216
  H     -12.118466      3.765961      3.645943
  H     -11.311556      4.983177      5.666235
  H      -8.931117      4.886901      6.313561
  H       0.687752      0.416781      4.346156
  H      -0.702961      0.906581      3.349428
  H      -0.811191     -0.804950      5.915152
  H      -2.517116     -2.026863      4.952756
  H      -3.497199      1.280929      0.857278
  H      -5.997904     -2.470954      0.076540
  H      -6.137099     -4.745244      1.110160
  H      -4.666234     -5.325242      3.038196
  H      -3.110691     -3.663802      3.968299
  H      -2.859617     -0.557507      8.558681
  H      -3.525167     -0.226511      6.956853
  H      -4.242392      1.445136      9.445548
  H      -6.460585      1.391885      8.786264
  H      -5.433855     -1.834032      4.586163
  H      -9.797856     -0.540882      4.069442
  H     -11.399420      0.843881      5.406450
  H     -10.639442      1.932974      7.512155
  H      -8.331598      1.658413      8.301297
  N      -1.999247      4.223705      4.459686
  H      -1.163442      4.803898      4.344667
  H      -2.797928      4.855884      4.546538
  H      -2.118663      3.700335      3.588581
  N      -3.393176      1.645318      5.160985
  N      -3.995181      0.838471      4.620870
95
Coordinates from ORCA-job orca E -6310.838980317881
  N      -2.855592      4.266034      7.227331
  Mo     -2.103242      2.610550      6.262906
  N      -2.235464      1.275823      7.737825
  C      -1.186155      1.269727      8.744874
  C      -0.645951      2.679688      8.919282
  N      -0.399177      3.281056      7.578311
  C      -0.484259      4.757245      7.620103
  C      -1.934040      5.189318      7.853404
  C       0.884631      2.802249      6.993456
  C       0.699891      2.640744      5.487566
  N      -0.505077      1.867085      5.251865
  H      -2.055996      6.220857      7.456392
  H      -2.136887      5.277265      8.945812
  H      -0.122878      5.130164      6.651196
  H       0.180108      5.163965      8.405972
  H       1.593175      2.162138      5.047882
  H       0.639902      3.648992      5.024669
  H       1.099188      1.818466      7.430952
  H       1.707747      3.490521      7.256631
  H      -1.549672      0.908019      9.724504
  H      -0.368081      0.576371      8.445978
  H      -1.406146      3.292863      9.419442
  H       0.277239      2.701235      9.525552
  C      -4.241151      4.675520      7.420364
  C      -5.113282      3.958644      6.442434
  C      -6.320801      4.313675      5.967707
  C      -6.966135      3.573278      4.878697
  N      -6.169686      2.863368      4.074685
  C      -6.735436      2.186005      3.051325
  N      -8.010513      2.176765      2.698226
  C      -8.848286      2.915408      3.485184
  C     -10.222666      2.985824      3.144415
  C     -11.093484      3.734033      3.908446
  C     -10.632056      4.428479      5.050881
  C      -9.299485      4.376254      5.407076
  C      -8.375745      3.638573      4.626817
  C      -0.375956      0.694314      4.382224
  C      -1.124092     -0.487994      4.915609
  C      -2.132496     -1.197187      4.354421
  C      -2.822116     -1.029767      3.077455
  N      -2.734383      0.131611      2.413072
  C      -3.538024      0.305907      1.343094
  N      -4.419025     -0.537686      0.833399
  C      -4.474427     -1.764293      1.434822
  C      -5.371292     -2.733826      0.922691
  C      -5.442942     -3.987288      1.493295
  C      -4.616123     -4.320412      2.590047
  C      -3.743638     -3.388760      3.117828
  C      -3.660393     -2.084385      2.568215
  C      -3.238436      0.222600      7.909811
  C      -4.445691      0.787044      8.593562
  C      -5.748981      0.746472      8.229206
  C      -6.338189      0.083165      7.072416
  N      -5.601455     -0.784880      6.372488
  C      -6.114586     -1.258475      5.212792
  N      -7.313109     -1.040612      4.707069
  C      -8.137344     -0.239392      5.451886
  C      -9.467011     -0.038025      5.012695
  C     -10.332435      0.743687      5.749232
  C      -9.895110      1.363464      6.939702
  C      -8.598303      1.193808      7.383821
  C      -7.690314      0.378521      6.664021
  H      -4.344315      5.773654      7.286818
  H      -4.577448      4.472814      8.466491
  H      -4.668232      3.022917      6.098315
  H      -6.828969      5.202699      6.351706
  H      -6.041822      1.597020      2.437683
  H     -10.557445      2.431641      2.266322
  H     -12.149456      3.787019      3.636855
  H     -11.335620      5.005621      5.653199
  H      -8.954341      4.903156      6.297258
  H       0.695803      0.411407      4.341722
  H      -0.696428      0.911694      3.351337
  H      -0.807176     -0.801167      5.916205
  H      -2.504876     -2.033044      4.949224
  H      -3.484739      1.292139      0.869511
  H      -5.992412     -2.451939      0.071424
  H      -6.138036     -4.729413      1.096939
  H      -4.669609     -5.320431      3.023288
  H      -3.108089     -3.666737      3.958520
  H      -2.826331     -0.591577      8.539307
  H      -3.510263     -0.231451      6.951334
  H      -4.208229      1.392566      9.476613
  H      -6.433849      1.340794      8.834685
  H      -5.432713     -1.879339      4.621222
  H      -9.770914     -0.516005      4.080691
  H     -11.355924      0.898547      5.405602
  H     -10.585890      1.988103      7.507752
  H      -8.285118      1.682677      8.305702
  N      -1.995344      4.201034      4.457727
  H      -1.165128      4.788585      4.340383
  H      -2.800404      4.824948      4.545033
  H      -2.111169      3.675045      3.587609
  N      -3.397916      1.639912      5.165371
  N      -4.022858      0.857855      4.616018
95
Coordinates from ORCA-job orca E -6310.841716260241
  N      -2.870285      4.250516      7.202746
  Mo     -2.093148      2.591484      6.263749
  N      -2.226114      1.264496      7.742802
  C      -1.188725      1.273260      8.762021
  C      -0.656904      2.687652      8.927647
  N      -0.403996      3.280518      7.583523
  C      -0.502478      4.756291      7.613409
  C      -1.956336      5.176831      7.837938
  C       0.886669      2.806929      7.010366
  C       0.717207      2.634187      5.503472
  N      -0.485480      1.859054      5.263360
  H      -2.082605      6.209193      7.444671
  H      -2.166636      5.259345      8.929395
  H      -0.140406      5.124834      6.643158
  H       0.154401      5.175771      8.398938
  H       1.614468      2.147970      5.080364
  H       0.665722      3.637281      5.028270
  H       1.102298      1.826148      7.454198
  H       1.704229      3.500156      7.277740
  H      -1.561697      0.919920      9.741234
  H      -0.364712      0.580256      8.479190
  H      -1.425297      3.300073      9.415969
  H       0.260849      2.720983      9.541413
  C      -4.256603      4.663191      7.389383
  C      -5.133279      3.956507      6.408614
  C      -6.335670      4.322976      5.930241
  C      -6.983830      3.584424      4.841475
  N      -6.190102      2.870916      4.038348
  C      -6.758681      2.194964      3.015738
  N      -8.033506      2.190988      2.662232
  C      -8.868574      2.932061      3.449499
  C     -10.243628      3.003252      3.112029
  C     -11.112432      3.749986      3.879935
  C     -10.647950      4.443059      5.021983
  C      -9.314331      4.390849      5.374250
  C      -8.393015      3.653680      4.590726
  C      -0.358139      0.693196      4.385577
  C      -1.110582     -0.488004      4.915722
  C      -2.111739     -1.202215      4.348701
  C      -2.797377     -1.031211      3.070435
  N      -2.703648      0.131431      2.408793
  C      -3.506632      0.313153      1.339632
  N      -4.390357     -0.525231      0.826325
  C      -4.452791     -1.753060      1.425006
  C      -5.352975     -2.717192      0.908771
  C      -5.432558     -3.971220      1.477280
  C      -4.610644     -4.310281      2.575673
  C      -3.734298     -3.384000      3.106837
  C      -3.642633     -2.079657      2.559152
  C      -3.218575      0.199902      7.903799
  C      -4.422027      0.746148      8.609821
  C      -5.729372      0.709216      8.258382
  C      -6.330835      0.068602      7.094737
  N      -5.607505     -0.797958      6.378790
  C      -6.137119     -1.257269      5.220581
  N      -7.340623     -1.028653      4.731464
  C      -8.150767     -0.228830      5.492610
  C      -9.486665     -0.021015      5.075205
  C     -10.339122      0.756721      5.830731
  C      -9.881219      1.369672      7.017040
  C      -8.577979      1.194359      7.439621
  C      -7.684185      0.378920      6.702345
  H      -4.352945      5.762383      7.260122
  H      -4.597562      4.458873      8.433655
  H      -4.700461      3.016322      6.063420
  H      -6.837245      5.217130      6.310844
  H      -6.068268      1.601042      2.403961
  H     -10.580867      2.450021      2.234301
  H     -12.169222      3.803074      3.611616
  H     -11.350013      5.019270      5.626924
  H      -8.966774      4.915889      6.264568
  H       0.712611      0.406210      4.343889
  H      -0.678164      0.917385      3.356106
  H      -0.800315     -0.797440      5.919524
  H      -2.487239     -2.037048      4.942860
  H      -3.447868      1.300479      0.868908
  H      -5.970386     -2.430911      0.056295
  H      -6.130361     -4.709107      1.077809
  H      -4.670745     -5.310531      3.007472
  H      -3.102419     -3.666618      3.948750
  H      -2.795318     -0.624868      8.512331
  H      -3.496434     -0.236880      6.939272
  H      -4.178110      1.334008      9.502922
  H      -6.410331      1.283082      8.887734
  H      -5.467758     -1.879724      4.616415
  H      -9.806262     -0.492034      4.144932
  H     -11.367601      0.915148      5.504350
  H     -10.561243      1.992960      7.599289
  H      -8.248408      1.678636      8.358194
  N      -1.980042      4.177257      4.450759
  H      -1.154063      4.770921      4.335145
  H      -2.790818      4.794120      4.534722
  H      -2.088960      3.648654      3.581239
  N      -3.392984      1.633343      5.160883
  N      -4.039070      0.877987      4.598632
95
Coordinates from ORCA-job orca E -6310.844078720174
  N      -2.889778      4.230843      7.186181
  Mo     -2.089744      2.568352      6.270100
  N      -2.213588      1.250839      7.754646
  C      -1.184646      1.276728      8.781932
  C      -0.662493      2.696403      8.935404
  N      -0.410388      3.280663      7.586656
  C      -0.525090      4.755690      7.603985
  C      -1.982726      5.162089      7.826109
  C       0.885604      2.815063      7.020150
  C       0.724844      2.631149      5.513553
  N      -0.474967      1.851927      5.274251
  H      -2.116916      6.195009      7.437099
  H      -2.195522      5.238897      8.917599
  H      -0.167530      5.119661      6.630388
  H       0.127110      5.189755      8.385604
  H       1.624722      2.139352      5.102391
  H       0.677496      3.629149      5.027111
  H       1.106738      1.837963      7.469626
  H       1.696935      3.515437      7.287881
  H      -1.563468      0.932603      9.762301
  H      -0.354950      0.584712      8.513575
  H      -1.437411      3.307183      9.415257
  H       0.252414      2.743081      9.552453
  C      -4.276939      4.642699      7.372333
  C      -5.160857      3.944744      6.392557
  C      -6.361218      4.321446      5.917310
  C      -7.020267      3.583587      4.834424
  N      -6.236211      2.860847      4.030258
  C      -6.815300      2.186092      3.012527
  N      -8.091626      2.193868      2.663829
  C      -8.917241      2.944017      3.453114
  C     -10.294307      3.021180      3.125669
  C     -11.154052      3.770974      3.900861
  C     -10.677969      4.462366      5.039207
  C      -9.342019      4.404680      5.381463
  C      -8.430204      3.662507      4.591590
  C      -0.349899      0.695040      4.385448
  C      -1.100252     -0.488348      4.912123
  C      -2.095528     -1.208434      4.342065
  C      -2.785410     -1.033080      3.067463
  N      -2.694309      0.131270      2.409013
  C      -3.505512      0.318956      1.347035
  N      -4.394222     -0.515958      0.836797
  C      -4.455173     -1.745660      1.432010
  C      -5.360938     -2.706118      0.918740
  C      -5.440848     -3.961245      1.485070
  C      -4.613853     -4.304918      2.578070
  C      -3.731375     -3.382265      3.105833
  C      -3.638671     -2.077449      2.559960
  C      -3.197427      0.178585      7.912009
  C      -4.396697      0.706551      8.637619
  C      -5.703644      0.672140      8.286614
  C      -6.299115      0.043734      7.113282
  N      -5.581030     -0.840223      6.412874
  C      -6.103189     -1.299078      5.251188
  N      -7.295545     -1.052270      4.743699
  C      -8.099183     -0.228291      5.485144
  C      -9.422492      0.008262      5.042600
  C     -10.267413      0.816591      5.773862
  C      -9.813476      1.433535      6.959742
  C      -8.522409      1.230624      7.406444
  C      -7.637714      0.382519      6.695192
  H      -4.370324      5.742648      7.247966
  H      -4.617863      4.435741      8.416162
  H      -4.743097      2.999823      6.042417
  H      -6.853591      5.221491      6.296199
  H      -6.132581      1.583693      2.399854
  H     -10.640749      2.469085      2.250820
  H     -12.212765      3.828158      3.641049
  H     -11.373131      5.041418      5.649395
  H      -8.985515      4.927715      6.269450
  H       0.720598      0.407824      4.336489
  H      -0.675059      0.927297      3.359448
  H      -0.791053     -0.796543      5.916624
  H      -2.468349     -2.044818      4.935677
  H      -3.449348      1.308403      0.880565
  H      -5.982586     -2.416207      0.070561
  H      -6.143107     -4.696227      1.088000
  H      -4.674765     -5.305682      3.008588
  H      -3.095947     -3.668699      3.943820
  H      -2.763578     -0.655213      8.500882
  H      -3.483605     -0.241350      6.942590
  H      -4.150847      1.282590      9.537800
  H      -6.387330      1.234256      8.923639
  H      -5.440165     -1.941820      4.662705
  H      -9.738066     -0.464722      4.111906
  H     -11.285800      0.997166      5.427468
  H     -10.486353      2.082757      7.521758
  H      -8.194215      1.722370      8.321422
  N      -1.982861      4.148681      4.446887
  H      -1.162736      4.749865      4.329415
  H      -2.800021      4.757009      4.531134
  H      -2.087762      3.616879      3.578757
  N      -3.398459      1.621387      5.167925
  N      -4.068668      0.893561      4.594244
95
Coordinates from ORCA-job orca E -6310.846178707562
  N      -2.901882      4.216591      7.162182
  Mo     -2.081239      2.549646      6.269041
  N      -2.207126      1.240742      7.758103
  C      -1.191301      1.281003      8.797965
  C      -0.676227      2.704255      8.943414
  N      -0.416697      3.280885      7.592570
  C      -0.543101      4.755015      7.599015
  C      -2.004233      5.150321      7.812663
  C       0.886479      2.821094      7.038804
  C       0.741538      2.627401      5.531553
  N      -0.455594      1.846340      5.286438
  H      -2.142544      6.184535      7.428793
  H      -2.224505      5.219953      8.903220
  H      -0.184792      5.114818      6.624211
  H       0.102038      5.200449      8.380120
  H       1.644855      2.129340      5.135768
  H       0.701788      3.620951      5.035318
  H       1.109587      1.847307      7.494598
  H       1.691226      3.527334      7.310780
  H      -1.581054      0.945781      9.777148
  H      -0.356230      0.589029      8.547003
  H      -1.457971      3.314601      9.412456
  H       0.233143      2.760625      9.567681
  C      -4.290646      4.626289      7.341993
  C      -5.175473      3.938565      6.356807
  C      -6.370921      4.327537      5.879281
  C      -7.035357      3.593509      4.797249
  N      -6.256533      2.865341      3.993262
  C      -6.840911      2.192997      2.976902
  N      -8.117453      2.208097      2.629937
  C      -8.938177      2.961609      3.421077
  C     -10.316646      3.039865      3.100169
  C     -11.172435      3.788141      3.881273
  C     -10.690551      4.478162      5.017991
  C      -9.352805      4.420321      5.353168
  C      -8.445475      3.678257      4.558106
  C      -0.330366      0.697922      4.387996
  C      -1.082014     -0.486575      4.910321
  C      -2.069632     -1.211396      4.334260
  C      -2.758443     -1.032365      3.060010
  N      -2.660842      0.131628      2.401775
  C      -3.472760      0.325171      1.341612
  N      -4.367444     -0.503754      0.832193
  C      -4.436473     -1.732965      1.427721
  C      -5.349591     -2.686922      0.915467
  C      -5.438387     -3.941204      1.482331
  C      -4.613178     -4.290473      2.574727
  C      -3.723202     -3.374190      3.101173
  C      -3.621101     -2.070455      2.554694
  C      -3.179634      0.156564      7.904999
  C      -4.375452      0.664441      8.650563
  C      -5.684908      0.633862      8.308747
  C      -6.290254      0.028325      7.128118
  N      -5.583615     -0.851341      6.410767
  C      -6.123530     -1.300992      5.253676
  N      -7.322975     -1.048979      4.765488
  C      -8.112034     -0.224518      5.521284
  C      -9.441116      0.018658      5.099450
  C     -10.271956      0.827239      5.846140
  C      -9.797032      1.440647      7.025704
  C      -8.500288      1.231307      7.452260
  C      -7.630552      0.379632      6.726744
  H      -4.382091      5.727084      7.224241
  H      -4.636810      4.414010      8.383116
  H      -4.771500      2.989907      6.002020
  H      -6.855955      5.232099      6.256856
  H      -6.162734      1.585299      2.364742
  H     -10.667730      2.488864      2.226538
  H     -12.232523      3.845359      3.627300
  H     -11.382638      5.056286      5.632466
  H      -8.991768      4.941669      6.240266
  H       0.739663      0.409365      4.336015
  H      -0.656403      0.937758      3.364002
  H      -0.778465     -0.792787      5.917111
  H      -2.444153     -2.047502      4.927038
  H      -3.410290      1.314179      0.874992
  H      -5.969710     -2.392784      0.067671
  H      -6.146332     -4.671069      1.086023
  H      -4.681348     -5.290388      3.006030
  H      -3.089647     -3.665392      3.938858
  H      -2.733801     -0.685973      8.472387
  H      -3.471647     -0.245972      6.930108
  H      -4.125716      1.220294      9.562204
  H      -6.365896      1.175123      8.966503
  H      -5.473193     -1.945843      4.653836
  H      -9.772623     -0.450093      4.172208
  H     -11.294925      1.011959      5.516006
  H     -10.458389      2.091790      7.598977
  H      -8.155108      1.721708      8.361651
  N      -1.969499      4.123405      4.436686
  H      -1.153275      4.730328      4.322735
  H      -2.791822      4.725329      4.516377
  H      -2.066267      3.589128      3.569086
  N      -3.391159      1.612022      5.160034
  N      -4.078836      0.913415      4.572536
95
Coordinates from ORCA-job orca E -6310.847944386768
  N      -2.917681      4.199698      7.141627
  Mo     -2.076826      2.528906      6.269292
  N      -2.200456      1.228807      7.763427
  C      -1.195979      1.284675      8.813699
  C      -0.689969      2.711992      8.951093
  N      -0.426416      3.282070      7.598121
  C      -0.566047      4.754951      7.594169
  C      -2.030616      5.136997      7.801875
  C       0.884071      2.830563      7.055395
  C       0.753058      2.627767      5.548053
  N      -0.439800      1.842088      5.298186
  H      -2.175306      6.172504      7.424015
  H      -2.256671      5.198391      8.891872
  H      -0.209297      5.111012      6.617433
  H       0.073053      5.212336      8.373392
  H       1.660194      2.126421      5.165296
  H       0.717408      3.617468      5.043622
  H       1.112020      1.860699      7.517286
  H       1.680936      3.544612      7.330205
  H      -1.594299      0.957187      9.792106
  H      -0.355058      0.594417      8.578290
  H      -1.477873      3.320550      9.411949
  H       0.215294      2.778385      9.580300
  C      -4.308792      4.602507      7.318697
  C      -5.194282      3.925210      6.327811
  C      -6.386161      4.326599      5.851409
  C      -7.059050      3.598153      4.770923
  N      -6.288527      2.862480      3.966202
  C      -6.881195      2.193958      2.952000
  N      -8.158433      2.219454      2.608447
  C      -8.971136      2.979075      3.402017
  C     -10.351155      3.062386      3.089165
  C     -11.199772      3.812414      3.876489
  C     -10.708636      4.500596      5.010418
  C      -9.368946      4.438679      5.337116
  C      -8.469310      3.693125      4.536625
  C      -0.312839      0.704298      4.387615
  C      -1.059957     -0.485332      4.904554
  C      -2.040213     -1.216563      4.323732
  C      -2.732887     -1.034611      3.052419
  N      -2.632677      0.128692      2.393339
  C      -3.449586      0.326407      1.337752
  N      -4.351706     -0.497708      0.833599
  C      -4.424952     -1.726148      1.430466
  C      -5.346851     -2.674709      0.923909
  C      -5.440552     -3.928038      1.492177
  C      -4.611492     -4.281638      2.580184
  C      -3.712704     -3.370546      3.100890
  C      -3.605285     -2.067918      2.552983
  C      -3.159988      0.131828      7.903688
  C      -4.352543      0.616738      8.669341
  C      -5.663394      0.589520      8.332655
  C      -6.272573      0.006974      7.142176
  N      -5.575195     -0.872079      6.415046
  C      -6.125081     -1.312840      5.259269
  N      -7.325544     -1.049653      4.778998
  C      -8.101478     -0.217288      5.539373
  C      -9.428382      0.045249      5.121550
  C     -10.245273      0.865363      5.870941
  C      -9.757609      1.472427      7.048785
  C      -8.462937      1.243886      7.471703
  C      -7.608289      0.378409      6.744306
  H      -4.402364      5.704090      7.210341
  H      -4.657848      4.381382      8.357214
  H      -4.804048      2.973935      5.965410
  H      -6.862898      5.235132      6.230168
  H      -6.209690      1.579386      2.339667
  H     -10.709563      2.512958      2.217492
  H     -12.261382      3.872611      3.629540
  H     -11.395171      5.080431      5.629540
  H      -9.000795      4.958199      6.222395
  H       0.757751      0.418730      4.328982
  H      -0.643295      0.952196      3.366977
  H      -0.758112     -0.790978      5.912056
  H      -2.412180     -2.054459      4.915558
  H      -3.383623      1.314487      0.869531
  H      -5.969754     -2.377217      0.079293
  H      -6.155316     -4.653670      1.100295
  H      -4.683733     -5.280631      3.013014
  H      -3.076917     -3.665565      3.935571
  H      -2.699205     -0.717303      8.449246
  H      -3.458970     -0.254309      6.924493
  H      -4.100695      1.152798      9.592158
  H      -6.344144      1.111027      9.006666
  H      -5.485002     -1.963784      4.654795
  H      -9.769095     -0.417467      4.194584
  H     -11.266255      1.065343      5.543480
  H     -10.407244      2.134423      7.623076
  H      -8.106421      1.732400      8.377828
  N      -1.966339      4.095652      4.426405
  H      -1.155055      4.709542      4.315084
  H      -2.794359      4.690232      4.502450
  H      -2.055202      3.558756      3.559503
  N      -3.387093      1.597824      5.154820
  N      -4.090931      0.926555      4.553796
95
Coordinates from ORCA-job orca E -6310.849440973129
  N      -2.932600      4.184379      7.122309
  Mo     -2.074015      2.510026      6.267886
  N      -2.196519      1.217818      7.766393
  C      -1.202492      1.287175      8.825963
  C      -0.705145      2.718085      8.957730
  N      -0.437933      3.283576      7.603580
  C      -0.589223      4.755153      7.591012
  C      -2.056820      5.124584      7.793170
  C       0.879924      2.840644      7.071767
  C       0.762841      2.630376      5.564420
  N      -0.424987      1.839450      5.308919
  H      -2.207843      6.161559      7.422083
  H      -2.288627      5.176810      8.882533
  H      -0.234038      5.108141      6.612602
  H       0.044452      5.222861      8.368527
  H       1.674078      2.127658      5.193389
  H       0.729921      3.617050      5.053644
  H       1.112938      1.874698      7.539342
  H       1.668555      3.562622      7.349476
  H      -1.608518      0.965500      9.803135
  H      -0.356329      0.599125      8.603797
  H      -1.498169      3.324404      9.412519
  H       0.196612      2.792403      9.591022
  C      -4.326597      4.576756      7.298676
  C      -5.211241      3.911031      6.299946
  C      -6.399698      4.325473      5.826041
  C      -7.081277      3.604571      4.746036
  N      -6.319516      2.860886      3.940656
  C      -6.920492      2.196855      2.928431
  N      -8.198229      2.233530      2.588027
  C      -9.002445      2.999897      3.383715
  C     -10.383721      3.089548      3.078262
  C     -11.224763      3.842365      3.871009
  C     -10.724289      4.528503      5.002117
  C      -9.383000      4.461287      5.321018
  C      -8.491395      3.711154      4.515908
  C      -0.295489      0.713629      4.384987
  C      -1.034533     -0.483708      4.895919
  C      -2.007246     -1.221915      4.311336
  C      -2.705755     -1.037772      3.043969
  N      -2.602488      0.123796      2.382159
  C      -3.425168      0.324578      1.331679
  N      -4.336396     -0.494288      0.835622
  C      -4.414395     -1.720827      1.435886
  C      -5.347033     -2.663483      0.938127
  C      -5.445844     -3.914999      1.509490
  C      -4.611164     -4.272551      2.591795
  C      -3.701862     -3.367030      3.103975
  C      -3.588937     -2.066264      2.552933
  C      -3.143167      0.108567      7.900432
  C      -4.331312      0.569423      8.686904
  C      -5.643267      0.545336      8.355191
  C      -6.255031     -0.014807      7.155169
  N      -5.565503     -0.892551      6.418920
  C      -6.124977     -1.326261      5.265156
  N      -7.326828     -1.054443      4.793071
  C      -8.090437     -0.214170      5.556897
  C      -9.414875      0.066068      5.142367
  C     -10.218461      0.897760      5.893198
  C      -9.719299      1.499413      7.069087
  C      -8.427140      1.252798      7.489407
  C      -7.586675      0.374240      6.760969
  H      -4.424955      5.679076      7.203166
  H      -4.677897      4.342602      8.333783
  H      -4.833611      2.958703      5.927953
  H      -6.868126      5.236826      6.208300
  H      -6.255689      1.575663      2.315670
  H     -10.749469      2.541940      2.208539
  H     -12.287572      3.906565      3.630471
  H     -11.404898      5.110960      5.625243
  H      -9.007795      4.979184      6.204234
  H       0.776118      0.433646      4.317821
  H      -0.632362      0.969709      3.368482
  H      -0.732084     -0.789606      5.903156
  H      -2.374457     -2.062504      4.902210
  H      -3.354592      1.310366      0.859361
  H      -5.973943     -2.362967      0.097593
  H      -6.168882     -4.636013      1.124432
  H      -4.687535     -5.269993      3.027409
  H      -3.062652     -3.665497      3.934739
  H      -2.666379     -0.746038      8.423312
  H      -3.450408     -0.260657      6.917397
  H      -4.077104      1.084656      9.620803
  H      -6.324128      1.046908      9.044186
  H      -5.494902     -1.983265      4.657194
  H      -9.763939     -0.391687      4.216084
  H     -11.237180      1.112063      5.567775
  H     -10.357928      2.171908      7.643512
  H      -8.060595      1.739426      8.392526
  N      -1.965647      4.069500      4.414510
  H      -1.159058      4.689995      4.306660
  H      -2.798829      4.657362      4.486439
  H      -2.046232      3.530527      3.548076
  N      -3.381943      1.582674      5.147088
  N      -4.098034      0.936034      4.533070
95
Coordinates from ORCA-job orca E -6310.850715814999
  N      -2.948017      4.169322      7.103871
  Mo     -2.072462      2.492405      6.265101
  N      -2.194291      1.206930      7.767480
  C      -1.209973      1.288623      8.835456
  C      -0.721883      2.722968      8.963579
  N      -0.451424      3.285562      7.608884
  C      -0.613978      4.755821      7.589238
  C      -2.084469      5.112328      7.786093
  C       0.874142      2.852059      7.087943
  C       0.771243      2.635507      5.580728
  N      -0.410481      1.838113      5.318895
  H      -2.242418      6.150810      7.422314
  H      -2.322045      5.154555      8.874772
  H      -0.260461      5.106583      6.609369
  H       0.014464      5.232812      8.365362
  H       1.687292      2.133466      5.220657
  H       0.739685      3.619789      5.064799
  H       1.112592      1.890050      7.560889
  H       1.654005      3.582319      7.368800
  H      -1.622766      0.970682      9.811021
  H      -0.358534      0.603728      8.624377
  H      -1.519808      3.326210      9.413739
  H       0.176759      2.804261      9.600457
  C      -4.345713      4.547287      7.281879
  C      -5.228163      3.894531      6.273032
  C      -6.413397      4.322030      5.802576
  C      -7.102363      3.610387      4.721092
  N      -6.348509      2.860104      3.914556
  C      -6.956691      2.201900      2.902841
  N      -8.234821      2.249124      2.564996
  C      -9.031297      3.020938      3.363125
  C     -10.413765      3.116263      3.064539
  C     -11.248172      3.870424      3.863026
  C     -10.739385      4.553673      4.992296
  C      -9.396649      4.481675      5.304027
  C      -8.512091      3.728385      4.494047
  C      -0.277263      0.725616      4.380433
  C      -1.004210     -0.481999      4.884910
  C      -1.969462     -1.228370      4.297705
  C      -2.675622     -1.043196      3.035063
  N      -2.568599      0.115386      2.368429
  C      -3.397511      0.318486      1.323194
  N      -4.319349     -0.494759      0.837568
  C      -4.402905     -1.718270      1.443450
  C      -5.347750     -2.654697      0.957028
  C      -5.452019     -3.903581      1.533249
  C      -4.610593     -4.264629      2.609145
  C      -3.689481     -3.364916      3.110522
  C      -3.570697     -2.066750      2.554580
  C      -3.126334      0.083890      7.894855
  C      -4.310247      0.518830      8.702192
  C      -5.623840      0.497982      8.376306
  C      -6.239890     -0.037563      7.166858
  N      -5.559456     -0.911626      6.417902
  C      -6.129559     -1.333674      5.264870
  N      -7.332781     -1.050431      4.802723
  C      -8.082922     -0.204893      5.573888
  C      -9.404245      0.096931      5.164044
  C     -10.192595      0.938845      5.919628
  C      -9.680947      1.528921      7.096193
  C      -8.391936      1.260196      7.512736
  C      -7.567451      0.370783      6.779127
  H      -4.451566      5.650208      7.203360
  H      -4.698216      4.295176      8.312604
  H      -4.861076      2.943045      5.889522
  H      -6.874537      5.234568      6.190857
  H      -6.298035      1.574953      2.289514
  H     -10.785996      2.571067      2.195999
  H     -12.312123      3.938155      3.628393
  H     -11.414780      5.137673      5.619705
  H      -9.015327      4.997338      6.185968
  H       0.795942      0.454243      4.302738
  H      -0.622888      0.989770      3.368962
  H      -0.698640     -0.788407      5.891144
  H      -2.329447     -2.072574      4.887819
  H      -3.320456      1.300613      0.844095
  H      -5.979441     -2.351616      0.120945
  H      -6.184466     -4.619762      1.156949
  H      -4.691291     -5.259986      3.048827
  H      -3.045986     -3.666402      3.936887
  H      -2.631679     -0.774461      8.394666
  H      -3.441811     -0.269199      6.908743
  H      -4.053357      1.011853      9.647310
  H      -6.304184      0.979067      9.080581
  H      -5.509484     -1.993817      4.649891
  H      -9.762525     -0.351303      4.236576
  H     -11.208441      1.170922      5.597130
  H     -10.307189      2.210553      7.673602
  H      -8.014487      1.739730      8.415309
  N      -1.967427      4.044732      4.401182
  H      -1.165591      4.672031      4.297380
  H      -2.805749      4.625889      4.468566
  H      -2.039129      3.504027      3.534971
  N      -3.375548      1.566762      5.137351
  N      -4.100155      0.941576      4.510898
95
Coordinates from ORCA-job orca E -6310.851817387772
  N      -2.962783      4.156189      7.086959
  Mo     -2.072258      2.477497      6.261546
  N      -2.194166      1.197663      7.766882
  C      -1.217952      1.289021      8.841658
  C      -0.738557      2.726367      8.968274
  N      -0.465510      3.287790      7.613611
  C      -0.638110      4.756811      7.588579
  C      -2.111176      5.101404      7.780480
  C       0.867303      2.863727      7.102733
  C       0.777550      2.642423      5.595763
  N      -0.397696      1.838284      5.327820
  H      -2.275817      6.141286      7.424012
  H      -2.354221      5.133537      8.868351
  H      -0.286173      5.106017      6.607550
  H      -0.014399      5.241539      8.363656
  H       1.698506      2.142518      5.245213
  H       0.746284      3.624872      5.075887
  H       1.110946      1.905315      7.580255
  H       1.638647      3.601728      7.386744
  H      -1.636241      0.972689      9.815353
  H      -0.361919      0.607534      8.638779
  H      -1.540684      3.326120      9.415437
  H       0.157500      2.813109      9.608025
  C      -4.364383      4.517008      7.269535
  C      -5.244150      3.878881      6.249229
  C      -6.426503      4.319410      5.783464
  C      -7.123039      3.618778      4.699565
  N      -6.377702      2.862129      3.891170
  C      -6.993585      2.210731      2.879857
  N      -8.272116      2.269049      2.545074
  C      -9.060177      3.046372      3.346087
  C     -10.443460      3.149549      3.053778
  C     -11.270242      3.906764      3.857223
  C     -10.752493      4.586660      4.984515
  C      -9.408687      4.507674      5.289703
  C      -8.532057      3.749637      4.475519
  C      -0.260954      0.740399      4.373789
  C      -0.972017     -0.479472      4.871689
  C      -1.930026     -1.234741      4.283801
  C      -2.645757     -1.049846      3.026979
  N      -2.534900      0.104414      2.353374
  C      -3.370856      0.308482      1.313929
  N      -4.304448     -0.498951      0.841537
  C      -4.393710     -1.718137      1.455301
  C      -5.352014     -2.648131      0.983187
  C      -5.461714     -3.893312      1.566362
  C      -4.612395     -4.256905      2.635100
  C      -3.678356     -3.363059      3.122950
  C      -3.553604     -2.068579      2.559824
  C      -3.112196      0.061867      7.887340
  C      -4.291326      0.469841      8.715119
  C      -5.605965      0.451166      8.394140
  C      -6.223651     -0.061798      7.175450
  N      -5.550341     -0.933469      6.417260
  C      -6.128514     -1.346216      5.264737
  N      -7.331964     -1.052858      4.809466
  C      -8.070772     -0.201500      5.584946
  C      -9.388433      0.119267      5.177353
  C     -10.163844      0.970846      5.935432
  C      -9.642957      1.550887      7.113034
  C      -8.357895      1.262187      7.528419
  C      -7.546941      0.363036      6.791701
  H      -4.479394      5.620170      7.211878
  H      -4.716486      4.242656      8.294865
  H      -4.885564      2.929676      5.852650
  H      -6.880838      5.231620      6.180219
  H      -6.341493      1.579020      2.264569
  H     -10.822560      2.607300      2.186389
  H     -12.334991      3.979801      3.627976
  H     -11.421872      5.173577      5.615595
  H      -9.020834      5.020991      6.170118
  H       0.814035      0.480172      4.283092
  H      -0.618103      1.012521      3.368473
  H      -0.660381     -0.786785      5.875835
  H      -2.279742     -2.083464      4.873423
  H      -3.286921      1.285672      0.826016
  H      -5.989374     -2.343270      0.152094
  H      -6.204491     -4.604524      1.201136
  H      -4.697450     -5.249349      3.080461
  H      -3.029782     -3.666701      3.944455
  H      -2.599937     -0.799179      8.364199
  H      -3.436436     -0.275307      6.898656
  H      -4.032039      0.940292      9.670995
  H      -6.286904      0.911990      9.111464
  H      -5.517486     -2.010807      4.645839
  H      -9.753656     -0.320895      4.248746
  H     -11.176128      1.219118      5.613735
  H     -10.258719      2.240961      7.691721
  H      -7.972119      1.734947      8.431078
  N      -1.971167      4.022807      4.387715
  H      -1.173788      4.656337      4.288142
  H      -2.814112      4.597780      4.450638
  H      -2.034279      3.480869      3.521600
  N      -3.369157      1.551613      5.127140
  N      -4.099353      0.943445      4.489486
95
Coordinates from ORCA-job orca E -6310.852791112104
  N      -2.979347      4.141953      7.070880
  Mo     -2.073374      2.463580      6.256716
  N      -2.195183      1.187591      7.764179
  C      -1.225844      1.287281      8.844657
  C      -0.756324      2.727706      8.971793
  N      -0.481265      3.289880      7.617809
  C      -0.664592      4.757623      7.589230
  C      -2.140352      5.089509      7.776136
  C       0.858935      2.876729      7.116427
  C       0.782002      2.652263      5.609647
  N      -0.385733      1.840067      5.335430
  H      -2.312395      6.130660      7.427197
  H      -2.388887      5.110887      8.863074
  H      -0.314062      5.106655      6.607548
  H      -0.046060      5.249212      8.364085
  H       1.708530      2.156546      5.267620
  H       0.749508      3.633475      5.086916
  H       1.108284      1.921585      7.597515
  H       1.621300      3.622577      7.404180
  H      -1.648065      0.970051      9.816331
  H      -0.364866      0.610419      8.647483
  H      -1.563089      3.322720      9.416886
  H       0.137256      2.819762      9.614260
  C      -4.385369      4.481767      7.260483
  C      -5.261266      3.859786      6.226932
  C      -6.441114      4.312332      5.766392
  C      -7.143372      3.624506      4.677866
  N      -6.405411      2.863664      3.866625
  C      -7.027853      2.221557      2.853402
  N      -8.306600      2.290715      2.520973
  C      -9.087242      3.071389      3.325816
  C     -10.471218      3.181949      3.039114
  C     -11.291499      3.939919      3.848473
  C     -10.766066      4.614351      4.975632
  C      -9.421397      4.528511      5.275144
  C      -8.551503      3.768006      4.455853
  C      -0.244643      0.758121      4.364829
  C      -0.935018     -0.476262      4.856569
  C      -1.885503     -1.242323      4.269751
  C      -2.612197     -1.059458      3.019273
  N      -2.497153      0.089144      2.336589
  C      -3.340151      0.293142      1.302756
  N      -4.285950     -0.508608      0.845214
  C      -4.381142     -1.722399      1.468869
  C      -5.353075     -2.646172      1.012626
  C      -5.468118     -3.886868      1.604341
  C      -4.610675     -4.252041      2.666036
  C      -3.663639     -3.363783      3.139010
  C      -3.533008     -2.073682      2.567093
  C      -3.097411      0.037602      7.876773
  C      -4.272190      0.417456      8.724239
  C      -5.588635      0.400707      8.410294
  C      -6.211471     -0.087035      7.183343
  N      -5.547789     -0.953857      6.411399
  C      -6.135432     -1.349826      5.257439
  N      -7.338404     -1.040908      4.810903
  C      -8.063858     -0.187120      5.596074
  C      -9.376615      0.158872      5.192788
  C     -10.136009      1.018519      5.958042
  C      -9.604175      1.580203      7.139823
  C      -8.324201      1.265349      7.552064
  C      -7.529795      0.358465      6.806917
  H      -4.511975      5.584532      7.228034
  H      -4.735426      4.180232      8.278989
  H      -4.908069      2.915052      5.815595
  H      -6.890397      5.222152      6.174140
  H      -6.381944      1.586588      2.235145
  H     -10.856129      2.644136      2.171461
  H     -12.356933      4.018108      3.623936
  H     -11.430279      5.202454      5.611127
  H      -9.028136      5.037790      6.155524
  H       0.832437      0.512527      4.258594
  H      -0.616399      1.037629      3.366854
  H      -0.614421     -0.783971      5.857903
  H      -2.221641     -2.096490      4.859255
  H      -3.248703      1.264389      0.804237
  H      -5.996258     -2.340385      0.186309
  H      -6.221354     -4.593308      1.251350
  H      -4.700012     -5.241046      3.118264
  H      -3.009801     -3.668812      3.955792
  H      -2.566914     -0.824333      8.331693
  H      -3.429417     -0.285661      6.886224
  H      -4.009742      0.864608      9.690377
  H      -6.268469      0.841173      9.141609
  H      -5.534181     -2.015251      4.629816
  H      -9.750172     -0.266630      4.260612
  H     -11.143585      1.288269      5.638529
  H     -10.207032      2.277433      7.723641
  H      -7.928270      1.724912      8.457266
  N      -1.977119      4.003020      4.374083
  H      -1.184458      4.643171      4.279181
  H      -2.824915      4.571375      4.432648
  H      -2.031185      3.460414      3.507716
  N      -3.361990      1.535695      5.115471
  N      -4.093910      0.940363      4.467769
95
Coordinates from ORCA-job orca E -6310.853666518227
  N      -2.993952      4.130607      7.056864
  Mo     -2.075077      2.453045      6.252421
  N      -2.197309      1.179978      7.761127
  C      -1.232580      1.285076      8.845447
  C      -0.771561      2.727948      8.974506
  N      -0.495292      3.291883      7.621465
  C      -0.687799      4.758462      7.590628
  C      -2.165868      5.079511      7.773067
  C       0.851093      2.888787      7.127840
  C       0.784655      2.662678      5.621257
  N      -0.376166      1.843264      5.341920
  H      -2.344247      6.121841      7.431311
  H      -2.419237      5.090596      8.858991
  H      -0.338354      5.107758      6.608610
  H      -0.073843      5.255421      8.365594
  H       1.716101      2.171541      5.285748
  H       0.750416      3.643149      5.096746
  H       1.105533      1.936222      7.611275
  H       1.605595      3.641189      7.419031
  H      -1.656768      0.965327      9.815360
  H      -0.367601      0.612617      8.651014
  H      -1.582085      3.318395      9.418781
  H       0.120134      2.823919      9.618947
  C      -4.403878      4.448553      7.256613
  C      -5.276588      3.844538      6.209818
  C      -6.454251      4.308936      5.755613
  C      -7.163169      3.634469      4.663018
  N      -6.433874      2.866961      3.850253
  C      -7.063713      2.233377      2.836447
  N      -8.342480      2.314472      2.506517
  C      -9.114491      3.101199      3.313699
  C     -10.498608      3.221771      3.031613
  C     -11.310801      3.984865      3.844212
  C     -10.776551      4.655661      4.969454
  C      -9.431510      4.560407      5.264219
  C      -8.569900      3.793015      4.442496
  C      -0.232952      0.778812      4.353338
  C      -0.898569     -0.471520      4.839090
  C      -1.842149     -1.248782      4.255709
  C      -2.582096     -1.068804      3.013154
  N      -2.463274      0.072893      2.319662
  C      -3.314728      0.275998      1.292584
  N      -4.273533     -0.519767      0.852496
  C      -4.374241     -1.727055      1.487747
  C      -5.360784     -2.644223      1.050094
  C      -5.481059     -3.879356      1.652265
  C      -4.614617     -4.245199      2.706308
  C      -3.653632     -3.362773      3.161818
  C      -3.516887     -2.078301      2.578811
  C      -3.085960      0.018397      7.866414
  C      -4.256788      0.371989      8.730312
  C      -5.573821      0.355020      8.420602
  C      -6.196540     -0.113232      7.185682
  N      -5.538277     -0.978998      6.407935
  C      -6.130496     -1.365872      5.253026
  N      -7.331615     -1.046161      4.809222
  C      -8.048416     -0.187538      5.596820
  C      -9.356224      0.176167      5.192787
  C     -10.105149      1.043866      5.959211
  C      -9.568400      1.594568      7.144005
  C      -8.293857      1.260750      7.558099
  C      -7.510082      0.346579      6.810681
  H      -4.542438      5.550125      7.252383
  H      -4.749802      4.117004      8.267196
  H      -4.927286      2.905263      5.782914
  H      -6.898534      5.215445      6.175689
  H      -6.424903      1.593839      2.215558
  H     -10.890103      2.687151      2.164968
  H     -12.376462      4.070345      3.623614
  H     -11.434322      5.248435      5.607247
  H      -9.032062      5.067235      6.143146
  H       0.845780      0.550213      4.227583
  H      -0.623359      1.065696      3.364631
  H      -0.565317     -0.780137      5.836063
  H      -2.161030     -2.109456      4.845094
  H      -3.216639      1.240490      0.782449
  H      -6.010591     -2.338138      0.229130
  H      -6.245470     -4.580761      1.313660
  H      -4.708316     -5.229844      3.167019
  H      -2.994028     -3.668386      3.973615
  H      -2.539893     -0.843502      8.302552
  H      -3.424903     -0.292910      6.874472
  H      -3.992691      0.798980      9.704975
  H      -6.254926      0.776890      9.161776
  H      -5.536530     -2.035506      4.623449
  H      -9.733843     -0.240611      4.258336
  H     -11.107726      1.329588      5.637826
  H     -10.162900      2.298561      7.728302
  H      -7.892608      1.711934      8.465210
  N      -1.983358      3.987138      4.362327
  H      -1.194803      4.632848      4.271680
  H      -2.835206      4.549749      4.417453
  H      -2.029708      3.444425      3.495599
  N      -3.356094      1.522422      5.105609
  N      -4.088350      0.935134      4.449578
95
Coordinates from ORCA-job orca E -6310.854474562271
  N      -3.012270      4.114692      7.044986
  Mo     -2.078282      2.441566      6.247325
  N      -2.198562      1.168865      7.756162
  C      -1.236999      1.278930      8.843098
  C      -0.786768      2.724692      8.975793
  N      -0.510998      3.292721      7.624386
  C      -0.715318      4.757896      7.593570
  C      -2.196055      5.065572      7.772421
  C       0.841653      2.902575      7.136780
  C       0.784564      2.676866      5.630093
  N      -0.368083      1.848338      5.345920
  H      -2.382609      6.108948      7.438695
  H      -2.453581      5.064905      8.857355
  H      -0.367482      5.109742      6.611808
  H      -0.106816      5.259966      8.369504
  H       1.721570      2.192817      5.299391
  H       0.746124      3.657340      5.105217
  H       1.102942      1.952206      7.620855
  H       1.587425      3.662091      7.431928
  H      -1.660921      0.954303      9.811465
  H      -0.367164      0.612622      8.649020
  H      -1.601977      3.308601      9.420220
  H       0.103147      2.825427      9.621965
  C      -4.426377      4.405927      7.257808
  C      -5.294854      3.820874      6.196778
  C      -6.471237      4.294897      5.749456
  C      -7.184155      3.635679      4.650114
  N      -6.462200      2.863121      3.835508
  C      -7.097478      2.242168      2.817315
  N      -8.375166      2.337810      2.486538
  C      -9.139700      3.129117      3.296215
  C     -10.522981      3.262191      3.015307
  C     -11.328538      4.028460      3.831505
  C     -10.787919      4.690941      4.958759
  C      -9.443491      4.583673      5.252249
  C      -8.588714      3.811177      4.427933
  C      -0.222665      0.803373      4.337704
  C      -0.856626     -0.465770      4.817955
  C      -1.792232     -1.257001      4.239732
  C      -2.547237     -1.081417      3.005942
  N      -2.425881      0.052609      2.300274
  C      -3.286494      0.253739      1.280368
  N      -4.257569     -0.537084      0.858711
  C      -4.362104     -1.737459      1.506540
  C      -5.361966     -2.649253      1.088255
  C      -5.485517     -3.878686      1.701391
  C      -4.609239     -4.243924      2.747503
  C      -3.635650     -3.366083      3.184979
  C      -3.494941     -2.087216      2.590510
  C      -3.072870     -0.004604      7.854595
  C      -4.240086      0.326518      8.732822
  C      -5.558695      0.311364      8.429906
  C      -6.186734     -0.135535      7.189312
  N      -5.537490     -0.998169      6.400880
  C      -6.136297     -1.367717      5.243349
  N      -7.334834     -1.030920      4.804920
  C      -8.039938     -0.170492      5.600882
  C      -9.341367      0.218142      5.199062
  C     -10.075846      1.092583      5.971900
  C      -9.531448      1.623892      7.162219
  C      -8.263356      1.264618      7.574896
  C      -7.494307      0.344320      6.819675
  H      -4.580132      5.504897      7.286141
  H      -4.765271      4.039369      8.258657
  H      -4.945557      2.889751      5.752579
  H      -6.912858      5.195765      6.184068
  H      -6.465294      1.598803      2.193777
  H     -10.919190      2.734104      2.146736
  H     -12.393701      4.123283      3.612102
  H     -11.440343      5.287046      5.599014
  H      -9.039821      5.084664      6.132604
  H       0.857472      0.596666      4.188012
  H      -0.636720      1.096795      3.360594
  H      -0.506767     -0.774549      5.809315
  H      -2.089425     -2.125565      4.828731
  H      -3.182635      1.210965      0.757622
  H      -6.018971     -2.343936      0.272694
  H      -6.260112     -4.576017      1.377713
  H      -4.705732     -5.224147      3.217085
  H      -2.969798     -3.671208      3.991810
  H      -2.512677     -0.865123      8.275467
  H      -3.417249     -0.307536      6.862014
  H      -3.972658      0.735215      9.714375
  H      -6.237914      0.717528      9.181736
  H      -5.550810     -2.037917      4.606503
  H      -9.725193     -0.183236      4.260355
  H     -11.072479      1.399535      5.651191
  H     -10.114444      2.333557      7.751352
  H      -7.854177      1.701168      8.485784
  N      -1.993403      3.972993      4.352183
  H      -1.209841      4.625383      4.266006
  H      -2.849997      4.528619      4.405083
  H      -2.031824      3.431247      3.484422
  N      -3.349936      1.506389      5.095119
  N      -4.078474      0.922503      4.432334
95
Coordinates from ORCA-job orca E -6310.855240474424
  N      -3.026485      4.103150      7.036403
  Mo     -2.080740      2.434689      6.243838
  N      -2.199147      1.161459      7.751875
  C      -1.238787      1.274006      8.839868
  C      -0.796851      2.721781      8.976638
  N      -0.522389      3.294040      7.626803
  C      -0.736437      4.757992      7.596848
  C      -2.219298      5.054832      7.773472
  C       0.834695      2.914758      7.142639
  C       0.783779      2.690450      5.635763
  N      -0.362413      1.854887      5.348544
  H      -2.412520      6.099231      7.447376
  H      -2.479619      5.043295      8.857513
  H      -0.390087      5.112494      6.615496
  H      -0.132325      5.263807      8.373719
  H       1.724947      2.212510      5.307714
  H       0.741446      3.671263      5.111268
  H       1.101805      1.965774      7.626182
  H       1.573729      3.679526      7.440890
  H      -1.661037      0.944178      9.807151
  H      -0.365340      0.612956      8.644116
  H      -1.615492      3.300076      9.422141
  H       0.091935      2.825751      9.623799
  C      -4.443627      4.368170      7.265468
  C      -5.309640      3.803405      6.191639
  C      -6.485179      4.286842      5.752459
  C      -7.204029      3.643162      4.647876
  N      -6.492195      2.861585      3.832995
  C      -7.134770      2.252342      2.812591
  N      -8.411139      2.364698      2.481767
  C      -9.165620      3.164594      3.292371
  C     -10.547527      3.313539      3.012742
  C     -11.343557      4.088467      3.830029
  C     -10.794033      4.744999      4.956482
  C      -9.450655      4.622473      5.248542
  C      -8.605680      3.839224      4.424188
  C      -0.219160      0.830384      4.319778
  C      -0.817884     -0.458018      4.795120
  C      -1.746470     -1.263143      4.224691
  C      -2.518665     -1.092540      3.001464
  N      -2.395425      0.032343      2.281443
  C      -3.267261      0.230509      1.270462
  N      -4.251359     -0.555093      0.870439
  C      -4.359060     -1.747144      1.532957
  C      -5.373596     -2.652962      1.137853
  C      -5.500667     -3.874926      1.764991
  C      -4.613651     -4.238129      2.802645
  C      -3.626068     -3.365338      3.218346
  C      -3.480701     -2.094110      2.608830
  C      -3.062936     -0.020264      7.844348
  C      -4.229372      0.293454      8.730085
  C      -5.547724      0.277252      8.427801
  C      -6.172752     -0.159267      7.181740
  N      -5.525965     -1.025449      6.395147
  C      -6.124194     -1.391697      5.236151
  N      -7.318984     -1.046825      4.794021
  C      -8.019781     -0.179874      5.586509
  C      -9.315841      0.220575      5.178891
  C     -10.044975      1.102873      5.947798
  C      -9.501252      1.629359      7.140629
  C      -8.238791      1.257729      7.559466
  C      -7.475135      0.330224      6.807556
  H      -4.611889      5.463309      7.328127
  H      -4.772730      3.965408      8.255526
  H      -4.959620      2.880920      5.730224
  H      -6.923510      5.181638      6.202257
  H      -6.511008      1.602529      2.187307
  H     -10.950361      2.790348      2.144297
  H     -12.407811      4.195286      3.611933
  H     -11.438804      5.348798      5.597220
  H      -9.040900      5.119441      6.128267
  H       0.860833      0.647358      4.141158
  H      -0.661570      1.129631      3.357038
  H      -0.447679     -0.767004      5.779041
  H      -2.019252     -2.139892      4.813135
  H      -3.159326      1.179725      0.734205
  H      -6.038732     -2.349314      0.328339
  H      -6.286517     -4.567700      1.459293
  H      -4.713364     -5.212397      3.283739
  H      -2.953651     -3.668583      4.020312
  H      -2.493337     -0.879061      8.255953
  H      -3.409540     -0.317763      6.850909
  H      -3.962511      0.690266      9.716573
  H      -6.229303      0.672101      9.183600
  H      -5.542503     -2.067748      4.602529
  H      -9.699739     -0.176959      4.238621
  H     -11.036557      1.420534      5.621738
  H     -10.080058      2.345157      7.726449
  H      -7.828571      1.690062      8.471975
  N      -2.001936      3.964670      4.345788
  H      -1.222444      4.622293      4.263235
  H      -2.862171      4.514635      4.398342
  H      -2.034792      3.424751      3.476695
  N      -3.345448      1.495493      5.088131
  N      -4.069840      0.910296      4.420580
95
Coordinates from ORCA-job orca E -6310.855968559958
  N      -3.046501      4.084014      7.030291
  Mo     -2.085247      2.424836      6.239790
  N      -2.198001      1.148346      7.745711
  C      -1.237903      1.263767      8.833809
  C      -0.807532      2.714347      8.976197
  N      -0.536637      3.293401      7.628651
  C      -0.764302      4.755647      7.601640
  C      -2.249882      5.037943      7.776867
  C       0.825023      2.928679      7.145958
  C       0.779404      2.707687      5.638563
  N      -0.358756      1.862966      5.348253
  H      -2.452348      6.082988      7.459069
  H      -2.512188      5.014251      8.860045
  H      -0.420133      5.115264      6.621347
  H      -0.166020      5.265678      8.380279
  H       1.725476      2.238473      5.311735
  H       0.730411      3.689470      5.115823
  H       1.100365      1.980912      7.627284
  H       1.556081      3.699647      7.447745
  H      -1.656734      0.926713      9.800113
  H      -0.359548      0.610194      8.634732
  H      -1.630987      3.284343      9.423617
  H       0.080017      2.823094      9.624276
  C      -4.466687      4.317478      7.277692
  C      -5.329154      3.772776      6.190875
  C      -6.505048      4.262537      5.760012
  C      -7.226282      3.636576      4.646930
  N      -6.522917      2.847561      3.831839
  C      -7.169539      2.255465      2.804054
  N      -8.442522      2.388957      2.467763
  C      -9.188542      3.195901      3.279047
  C     -10.567204      3.365169      2.994877
  C     -11.355708      4.146969      3.812892
  C     -10.801172      4.791209      4.944040
  C      -9.460686      4.649001      5.240433
  C      -8.623546      3.856567      4.416655
  C      -0.217323      0.861287      4.297335
  C      -0.772846     -0.449054      4.766722
  C      -1.692147     -1.270845      4.204509
  C      -2.483385     -1.106163      2.993028
  N      -2.361182      0.009330      2.258171
  C      -3.245712      0.202913      1.257248
  N      -4.240973     -0.579555      0.879543
  C      -4.348216     -1.763434      1.556797
  C      -5.374709     -2.665789      1.185347
  C      -5.501081     -3.880799      1.826040
  C      -4.601491     -4.240098      2.854200
  C      -3.602815     -3.369727      3.248026
  C      -3.457310     -2.105477      2.624035
  C      -3.051039     -0.041622      7.832551
  C      -4.215946      0.258680      8.725676
  C      -5.535259      0.246033      8.427815
  C      -6.164320     -0.174616      7.178099
  N      -5.525775     -1.041368      6.385660
  C      -6.127844     -1.393540      5.224075
  N      -7.318782     -1.032670      4.783932
  C      -8.009861     -0.162703      5.581523
  C      -9.299585      0.258429      5.174406
  C     -10.017252      1.146465      5.947569
  C      -9.468419      1.657730      7.144830
  C      -8.212032      1.265785      7.563199
  C      -7.460323      0.332426      6.806405
  H      -4.652811      5.406608      7.377952
  H      -4.782306      3.874706      8.254822
  H      -4.974246      2.861540      5.711153
  H      -6.942800      5.148871      6.226513
  H      -6.553230      1.599811      2.177678
  H     -10.973738      2.851562      2.122410
  H     -12.417646      4.269250      3.591549
  H     -11.439774      5.401573      5.584781
  H      -9.047915      5.137516      6.123444
  H       0.861259      0.708175      4.085238
  H      -0.693221      1.164442      3.352042
  H      -0.378343     -0.757644      5.741345
  H      -1.935982     -2.157500      4.790561
  H      -3.136313      1.144201      0.707349
  H      -6.049279     -2.365294      0.382474
  H      -6.296098     -4.570958      1.538631
  H      -4.700990     -5.208836      3.346434
  H      -2.922572     -3.669459      4.044648
  H      -2.473645     -0.898676      8.236738
  H      -3.399133     -0.335445      6.838456
  H      -3.946479      0.643604      9.716194
  H      -6.214647      0.632293      9.190155
  H      -5.553282     -2.072024      4.586629
  H      -9.687752     -0.126938      4.230812
  H     -11.003452      1.480893      5.621565
  H     -10.038013      2.378307      7.733864
  H      -7.795960      1.686605      8.478533
  N      -2.015352      3.957090      4.342285
  H      -1.241324      4.621629      4.263697
  H      -2.880274      4.499505      4.396350
  H      -2.042381      3.420590      3.470858
  N      -3.341088      1.479703      5.080571
  N      -4.057230      0.888415      4.409526
95
Coordinates from ORCA-job orca E -6310.856644840134
  N      -3.062426      4.069134      7.025830
  Mo     -2.088397      2.418776      6.237196
  N      -2.196262      1.138779      7.740613
  C      -1.236018      1.255936      8.828428
  C      -0.815077      2.708717      8.976019
  N      -0.547215      3.293643      7.630570
  C      -0.786193      4.754332      7.605996
  C      -2.274049      5.024830      7.779961
  C       0.817575      2.940531      7.148205
  C       0.775871      2.722572      5.640304
  N      -0.356272      1.871337      5.347544
  H      -2.483912      6.070326      7.469085
  H      -2.537748      4.990991      8.862306
  H      -0.443295      5.118281      6.626871
  H      -0.193175      5.267898      8.386351
  H       1.725537      2.259943      5.314351
  H       0.721893      3.705243      5.119156
  H       1.099434      1.993512      7.627248
  H       1.542681      3.715933      7.452731
  H      -1.651599      0.912431      9.793879
  H      -0.353626      0.608913      8.625975
  H      -1.642672      3.271558      9.424950
  H       0.071197      2.821273      9.625157
  C      -4.484477      4.272904      7.292161
  C      -5.344793      3.747890      6.194248
  C      -6.521053      4.243760      5.771781
  C      -7.245968      3.634642      4.652048
  N      -6.553309      2.834282      3.838903
  C      -7.204895      2.257372      2.805970
  N      -8.474078      2.412892      2.464773
  C      -9.209714      3.230526      3.274742
  C     -10.584846      3.420747      2.986797
  C     -11.363930      4.213380      3.803350
  C     -10.802626      4.848918      4.936068
  C      -9.465295      4.686371      5.236073
  C      -8.638023      3.880639      4.415140
  C      -0.220118      0.892977      4.274363
  C      -0.730261     -0.438706      4.736934
  C      -1.640776     -1.276347      4.184026
  C      -2.452642     -1.117216      2.985924
  N      -2.331253     -0.012454      2.234803
  C      -3.229819      0.176802      1.245452
  N      -4.237055     -0.601436      0.892349
  C      -4.344315     -1.775934      1.585849
  C      -5.384127     -2.673434      1.240778
  C      -5.511066     -3.879786      1.897473
  C      -4.599146     -4.234549      2.916258
  C      -3.587924     -3.367907      3.285439
  C      -3.440425     -2.112694      2.643851
  C      -3.041012     -0.057587      7.821675
  C      -4.207577      0.231412      8.716749
  C      -5.526670      0.218953      8.418666
  C      -6.154207     -0.193297      7.165244
  N      -5.519398     -1.063523      6.373593
  C      -6.121817     -1.411245      5.210786
  N      -7.309586     -1.042316      4.768681
  C      -7.995836     -0.167371      5.564826
  C      -9.281301      0.263940      5.154819
  C      -9.993274      1.158163      5.926039
  C      -9.442979      1.665439      7.124412
  C      -8.190835      1.263414      7.545582
  C      -7.445244      0.323546      6.790778
  H      -4.686633      5.354779      7.429167
  H      -4.785065      3.791943      8.255560
  H      -4.985119      2.847562      5.697576
  H      -6.957754      5.121816      6.254208
  H      -6.597329      1.592921      2.180470
  H     -10.996456      2.914067      2.112690
  H     -12.423330      4.351578      3.579366
  H     -11.433508      5.468951      5.575138
  H      -9.048305      5.168921      6.120294
  H       0.854587      0.771437      4.025760
  H      -0.732081      1.198628      3.348923
  H      -0.309369     -0.746898      5.700555
  H      -1.854710     -2.172821      4.766453
  H      -3.119510      1.109553      0.681386
  H      -6.068241     -2.376284      0.444816
  H      -6.316325     -4.566224      1.630517
  H      -4.699576     -5.196303      3.421780
  H      -2.899983     -3.663638      4.076788
  H      -2.458645     -0.912668      8.222645
  H      -3.386720     -0.349368      6.826114
  H      -3.939104      0.608550      9.710535
  H      -6.207057      0.598715      9.183437
  H      -5.550779     -2.093715      4.574687
  H      -9.670695     -0.117943      4.210349
  H     -10.975895      1.500870      5.597566
  H     -10.007898      2.391107      7.711692
  H      -7.772326      1.681218      8.461218
  N      -2.024683      3.954462      4.342362
  H      -1.255100      4.624522      4.267333
  H      -2.893231      4.490705      4.399457
  H      -2.047886      3.422287      3.468194
  N      -3.337513      1.469011      5.075520
  N      -4.044935      0.868759      4.402220
95
Coordinates from ORCA-job orca E -6310.857238203228
  N      -3.082717      4.048094      7.020126
  Mo     -2.093321      2.408193      6.233570
  N      -2.195407      1.124501      7.734710
  C      -1.235465      1.244228      8.822396
  C      -0.826182      2.699751      8.975502
  N      -0.561574      3.291030      7.632517
  C      -0.813516      4.749737      7.610098
  C      -2.304076      5.006950      7.781358
  C       0.806772      2.950715      7.151173
  C       0.770420      2.735793      5.642822
  N      -0.354875      1.877403      5.346121
  H      -2.522111      6.052347      7.476281
  H      -2.569805      4.963818      8.862662
  H      -0.471165      5.118409      6.632565
  H      -0.227227      5.267547      8.392770
  H       1.724247      2.280412      5.318674
  H       0.711102      3.719327      5.123346
  H       1.095689      2.004775      7.628180
  H       1.525136      3.731080      7.458786
  H      -1.647994      0.894137      9.786819
  H      -0.348285      0.604719      8.617141
  H      -1.659075      3.254038      9.425338
  H       0.058166      2.817312      9.626361
  C      -4.506367      4.220677      7.303332
  C      -5.363350      3.713125      6.194775
  C      -6.540270      4.213175      5.779429
  C      -7.266524      3.620981      4.651819
  N      -6.583082      2.810636      3.840825
  C      -7.236906      2.251118      2.800037
  N      -8.500810      2.430244      2.450771
  C      -9.227658      3.257094      3.259234
  C     -10.597948      3.469958      2.963991
  C     -11.369246      4.272035      3.778651
  C     -10.804193      4.895666      4.916108
  C      -9.471377      4.711004      5.223275
  C      -8.652328      3.893557      4.405565
  C      -0.222468      0.924839      4.249813
  C      -0.682861     -0.428709      4.701611
  C      -1.581984     -1.282837      4.155628
  C      -2.414979     -1.128534      2.971761
  N      -2.296363     -0.033475      2.206698
  C      -3.208756      0.151431      1.228915
  N      -4.225114     -0.624330      0.897991
  C      -4.329510     -1.791063      1.605045
  C      -5.377833     -2.686796      1.282010
  C      -5.501099     -3.886840      1.950845
  C      -4.577491     -4.236106      2.960949
  C      -3.558646     -3.370049      3.309949
  C      -3.413420     -2.121746      2.654432
  C      -3.033639     -0.076849      7.812678
  C      -4.197809      0.203307      8.713873
  C      -5.517791      0.196905      8.420619
  C      -6.150254     -0.198393      7.164366
  N      -5.524344     -1.067443      6.364631
  C      -6.133273     -1.401914      5.201308
  N      -7.319926     -1.021065      4.766084
  C      -7.996001     -0.145328      5.569865
  C      -9.278254      0.301232      5.165947
  C      -9.978379      1.199220      5.943541
  C      -9.419317      1.694620      7.142934
  C      -8.170461      1.277137      7.558438
  C      -7.437015      0.333288      6.796709
  H      -4.725392      5.293844      7.475282
  H      -4.791521      3.703576      8.252277
  H      -4.997270      2.824201      5.682012
  H      -6.977743      5.082124      6.277017
  H      -6.636844      1.578903      2.175819
  H     -11.012372      2.972633      2.085867
  H     -12.425090      4.427396      3.549285
  H     -11.428570      5.524302      5.553141
  H      -9.052469      5.185458      6.110906
  H       0.846497      0.839433      3.964711
  H      -0.770855      1.231864      3.345675
  H      -0.234867     -0.736845      5.652907
  H      -1.763748     -2.190706      4.730960
  H      -3.099210      1.076541      0.652238
  H      -6.070975     -2.393613      0.492456
  H      -6.312788     -4.572036      1.700824
  H      -4.675542     -5.192542      3.476887
  H      -2.863372     -3.661136      4.096434
  H      -2.446672     -0.930872      8.208902
  H      -3.380116     -0.365922      6.816486
  H      -3.925281      0.569234      9.710784
  H      -6.194580      0.569712      9.192035
  H      -5.569539     -2.084229      4.558928
  H      -9.674275     -0.071187      4.220470
  H     -10.958296      1.553953      5.619607
  H      -9.974672      2.423643      7.735187
  H      -7.744104      1.686419      8.474301
  N      -2.034528      3.948659      4.343066
  H      -1.269830      4.624729      4.272255
  H      -2.906957      4.478173      4.403542
  H      -2.053548      3.421759      3.465652
  N      -3.333653      1.451934      5.068496
  N      -4.030101      0.841066      4.392723
95
Coordinates from ORCA-job orca E -6310.857744235897
  N      -3.094806      4.036177      7.011804
  Mo     -2.094587      2.402325      6.230748
  N      -2.195650      1.117330      7.731212
  C      -1.237938      1.239959      8.820545
  C      -0.836477      2.697358      8.976522
  N      -0.571166      3.290646      7.634947
  C      -0.830696      4.748040      7.611011
  C      -2.323163      4.997549      7.777857
  C       0.799855      2.956305      7.156969
  C       0.770451      2.740871      5.648584
  N      -0.351441      1.879761      5.347452
  H      -2.545555      6.042708      7.475475
  H      -2.591585      4.949215      8.858076
  H      -0.486675      5.118026      6.634574
  H      -0.250053      5.269739      8.395351
  H       1.726931      2.287522      5.329279
  H       0.711244      3.724203      5.128171
  H       1.091276      2.011506      7.634742
  H       1.514307      3.739344      7.466674
  H      -1.650075      0.886492      9.783882
  H      -0.347208      0.605430      8.615643
  H      -1.673793      3.246592      9.424426
  H       0.045189      2.818824      9.630302
  C      -4.519085      4.183304      7.309099
  C      -5.374316      3.691609      6.192020
  C      -6.550910      4.197407      5.783079
  C      -7.281879      3.617873      4.652313
  N      -6.610159      2.794427      3.844776
  C      -7.269524      2.245643      2.802112
  N      -8.529835      2.443572      2.450071
  C      -9.245557      3.282434      3.255973
  C     -10.612471      3.513562      2.958715
  C     -11.373523      4.328194      3.770483
  C     -10.800796      4.947198      4.906595
  C      -9.471032      4.744719      5.215731
  C      -8.662514      3.913202      4.401636
  C      -0.225294      0.952060      4.229415
  C      -0.639953     -0.420586      4.668650
  C      -1.529564     -1.288287      4.129052
  C      -2.383084     -1.136322      2.959764
  N      -2.263009     -0.051842      2.180499
  C      -3.187587      0.132186      1.213525
  N      -4.214970     -0.637340      0.904237
  C      -4.321756     -1.795169      1.625691
  C      -5.381725     -2.684666      1.324452
  C      -5.508273     -3.876065      2.007947
  C      -4.577333     -4.221599      3.012545
  C      -3.547160     -3.360883      3.340746
  C      -3.396525     -2.122376      2.668136
  C      -3.028684     -0.088390      7.806487
  C      -4.194093      0.183736      8.708721
  C      -5.514194      0.176361      8.415830
  C      -6.146447     -0.213337      7.157628
  N      -5.522226     -1.081574      6.355758
  C      -6.132958     -1.413305      5.192610
  N      -7.320237     -1.031398      4.760038
  C      -7.993309     -0.154371      5.564803
  C      -9.274643      0.295991      5.162007
  C      -9.970111      1.198207      5.938845
  C      -9.407504      1.693292      7.136795
  C      -8.160050      1.271128      7.551681
  C      -7.431305      0.323217      6.790573
  H      -4.750950      5.248224      7.510614
  H      -4.791232      3.636721      8.245029
  H      -5.004932      2.811888      5.665810
  H      -6.987381      5.059298      6.293302
  H      -6.678597      1.563767      2.180012
  H     -11.032809      3.019889      2.081355
  H     -12.426946      4.497318      3.539803
  H     -11.416809      5.586464      5.541171
  H      -9.047177      5.216498      6.102391
  H       0.836004      0.900348      3.910123
  H      -0.806386      1.260964      3.346146
  H      -0.167311     -0.729068      5.607789
  H      -1.682525     -2.206456      4.696243
  H      -3.075209      1.048950      0.624180
  H      -6.080982     -2.393700      0.539514
  H      -6.328891     -4.556505      1.774747
  H      -4.678905     -5.170583      3.541365
  H      -2.848224     -3.648481      4.125147
  H      -2.437766     -0.940127      8.201797
  H      -3.372437     -0.376972      6.809302
  H      -3.922107      0.542917      9.708245
  H      -6.191581      0.542720      9.189865
  H      -5.570423     -2.094591      4.548222
  H      -9.673147     -0.076254      4.217514
  H     -10.949253      1.555895      5.615724
  H      -9.959084      2.425706      7.728419
  H      -7.730660      1.680432      8.466150
  N      -2.033225      3.945750      4.343755
  H      -1.270972      4.624993      4.276920
  H      -2.907557      4.471778      4.407232
  H      -2.049974      3.423916      3.463304
  N      -3.328518      1.442311      5.062348
  N      -4.015418      0.822811      4.384081
95
Coordinates from ORCA-job orca E -6310.858184140098
  N      -3.111056      4.018272      7.001203
  Mo     -2.097517      2.390528      6.227309
  N      -2.197253      1.105983      7.728516
  C      -1.242597      1.233391      8.820095
  C      -0.850769      2.693248      8.977732
  N      -0.584829      3.287577      7.637086
  C      -0.853171      4.743325      7.609943
  C      -2.347915      4.983974      7.771029
  C       0.789546      2.959715      7.164136
  C       0.769051      2.741903      5.656201
  N      -0.348382      1.876858      5.349844
  H      -2.575404      6.028191      7.469460
  H      -2.619594      4.932123      8.850062
  H      -0.507273      5.113984      6.634441
  H      -0.279129      5.270156      8.395757
  H       1.728945      2.290917      5.343681
  H       0.709907      3.724244      5.133487
  H       1.083747      2.017070      7.644417
  H       1.499065      3.746468      7.475517
  H      -1.654830      0.877352      9.782399
  H      -0.347715      0.604289      8.617016
  H      -1.693227      3.236882      9.422806
  H       0.027803      2.820198      9.634647
  C      -4.535822      4.139541      7.309636
  C      -5.388695      3.660317      6.185173
  C      -6.565495      4.170197      5.781928
  C      -7.300391      3.602278      4.647977
  N      -6.639273      2.767837      3.843007
  C      -7.303105      2.230988      2.797142
  N      -8.558956      2.448629      2.440716
  C      -9.264339      3.298332      3.244272
  C     -10.626405      3.550680      2.941938
  C     -11.377578      4.377539      3.750444
  C     -10.799180      4.988081      4.888230
  C      -9.473923      4.764772      5.202402
  C      -8.675395      3.920016      4.391988
  C      -0.225142      0.975743      4.210120
  C      -0.593397     -0.415260      4.631323
  C      -1.471419     -1.295569      4.093791
  C      -2.345047     -1.143505      2.939494
  N      -2.226465     -0.066393      2.150569
  C      -3.162440      0.117049      1.193757
  N      -4.196954     -0.648964      0.901520
  C      -4.302772     -1.800667      1.633003
  C      -5.368904     -2.687755      1.347189
  C      -5.494428     -3.873758      2.040241
  C      -4.557515     -4.214688      3.040818
  C      -3.521482     -3.355566      3.354453
  C      -3.369580     -2.124181      2.669357
  C      -3.027710     -0.101800      7.805466
  C      -4.188887      0.165375      8.714423
  C      -5.509879      0.163815      8.426312
  C      -6.146757     -0.212334      7.166453
  N      -5.528901     -1.077799      6.356920
  C      -6.145386     -1.400035      5.194258
  N      -7.333682     -1.012442      4.769619
  C      -7.999351     -0.136270      5.581400
  C      -9.279750      0.322858      5.185416
  C      -9.966266      1.227239      5.967711
  C      -9.395741      1.714865      7.165032
  C      -8.149746      1.282763      7.574101
  C      -7.429942      0.333060      6.806851
  H      -4.781355      5.196042      7.536317
  H      -4.795645      3.567700      8.233803
  H      -5.015842      2.789358      5.646525
  H      -7.001560      5.025517      6.303166
  H      -6.720654      1.540846      2.176488
  H     -11.051159      3.063480      2.063111
  H     -12.427381      4.562948      3.515925
  H     -11.407178      5.637470      5.520213
  H      -9.046519      5.231341      6.090056
  H       0.827728      0.959978      3.860742
  H      -0.835098      1.286254      3.346881
  H      -0.098059     -0.725667      5.558000
  H      -1.594551     -2.225781      4.648495
  H      -3.049677      1.027616      0.594999
  H      -6.073395     -2.399490      0.565986
  H      -6.319591     -4.552547      1.818752
  H      -4.659523     -5.158369      3.578905
  H      -2.820020     -3.638798      4.138148
  H      -2.432857     -0.952603      8.196842
  H      -3.374871     -0.388589      6.808957
  H      -3.912192      0.514872      9.716052
  H      -6.184034      0.524209      9.205987
  H      -5.587557     -2.078666      4.543366
  H      -9.684178     -0.044011      4.241353
  H     -10.944690      1.591528      5.649923
  H      -9.940131      2.449087      7.761062
  H      -7.714227      1.686477      8.488180
  N      -2.032410      3.935892      4.343117
  H      -1.272695      4.618344      4.280220
  H      -2.908668      4.458410      4.409187
  H      -2.046713      3.418955      3.459755
  N      -3.323017      1.424172      5.055285
  N      -4.000180      0.796952      4.373865
95
Coordinates from ORCA-job orca E -6310.858574012396
  N      -3.121400      4.006782      6.989538
  Mo     -2.097516      2.382300      6.224099
  N      -2.199079      1.100050      7.727268
  C      -1.249145      1.233217      8.822684
  C      -0.864058      2.695012      8.979272
  N      -0.594778      3.287022      7.638420
  C      -0.868350      4.741622      7.605654
  C      -2.364823      4.976837      7.760907
  C       0.782375      2.960931      7.171997
  C       0.771738      2.737467      5.665010
  N      -0.343265      1.870702      5.353771
  H      -2.595279      6.019922      7.457842
  H      -2.639534      4.924506      8.838950
  H      -0.519900      5.110735      6.630473
  H      -0.299652      5.273416      8.392075
  H       1.734215      2.285490      5.361785
  H       0.716171      3.717618      5.137402
  H       1.076374      2.020807      7.657277
  H       1.488800      3.750214      7.483822
  H      -1.663441      0.877183      9.784017
  H      -0.350910      0.607652      8.624080
  H      -1.710845      3.235863      9.419506
  H       0.011103      2.826999      9.639783
  C      -4.546075      4.106200      7.306954
  C      -5.398077      3.637476      6.177228
  C      -6.574861      4.152230      5.780085
  C      -7.315657      3.593813      4.645334
  N      -6.666280      2.747582      3.843077
  C      -7.336908      2.218608      2.797617
  N      -8.589465      2.452756      2.440097
  C      -9.283093      3.314682      3.240744
  C     -10.640930      3.586202      2.935954
  C     -11.380718      4.426746      3.740761
  C     -10.794601      5.031916      4.877438
  C      -9.473195      4.789789      5.194042
  C      -8.685970      3.930938      4.387285
  C      -0.222990      0.994201      4.194475
  C      -0.548918     -0.412683      4.596767
  C      -1.417194     -1.303157      4.060638
  C      -2.310322     -1.148394      2.921505
  N      -2.190104     -0.078594      2.123290
  C      -3.135360      0.106817      1.175248
  N      -4.178317     -0.652961      0.898797
  C      -4.288101     -1.797190      1.641579
  C      -5.364391     -2.677081      1.372372
  C      -5.496124     -3.854541      2.078761
  C      -4.556743     -4.192448      3.078024
  C      -3.510295     -3.340082      3.375108
  C      -3.349481     -2.119331      2.673376
  C      -3.026911     -0.110069      7.805408
  C      -4.187290      0.152814      8.716720
  C      -5.508762      0.150547      8.430296
  C      -6.147776     -0.222265      7.170328
  N      -5.531350     -1.085231      6.357126
  C      -6.150026     -1.404918      5.194997
  N      -7.340354     -1.018501      4.774932
  C      -8.003870     -0.143364      5.589614
  C      -9.284649      0.317479      5.196730
  C      -9.967104      1.224423      5.979744
  C      -9.392436      1.712038      7.175117
  C      -8.146772      1.276773      7.582064
  C      -7.430960      0.325036      6.813779
  H      -4.802948      5.155261      7.554016
  H      -4.795089      3.514123      8.221177
  H      -5.024388      2.773568      5.627736
  H      -7.008799      5.002785      6.310621
  H      -6.764223      1.518859      2.178922
  H     -11.071741      3.102861      2.057932
  H     -12.427320      4.627138      3.504250
  H     -11.393498      5.692264      5.506759
  H      -9.040573      5.253448      6.080657
  H       0.820609      1.011774      3.818394
  H      -0.858247      1.305601      3.350028
  H      -0.033246     -0.725612      5.511413
  H      -1.513030     -2.244599      4.601687
  H      -3.019661      1.011378      0.567972
  H      -6.071825     -2.390064      0.593370
  H      -6.328982     -4.527918      1.869922
  H      -4.665304     -5.128083      3.628742
  H      -2.809346     -3.619706      4.160547
  H      -2.428330     -0.958937      8.195437
  H      -3.375056     -0.396810      6.809345
  H      -3.909931      0.497790      9.719697
  H      -6.182496      0.506901      9.212253
  H      -5.592313     -2.079994      4.540328
  H      -9.692043     -0.049761      4.254078
  H     -10.946042      1.589608      5.664576
  H      -9.933573      2.448192      7.771783
  H      -7.708406      1.680225      8.494956
  N      -2.023814      3.928063      4.341939
  H      -1.264706      4.611545      4.282470
  H      -2.900484      4.449614      4.410697
  H      -2.037496      3.415891      3.455799
  N      -3.315865      1.410695      5.049446
  N      -3.984791      0.777852      4.364911
95
Coordinates from ORCA-job orca E -6310.858918452759
  N      -3.134558      3.991154      6.978435
  Mo     -2.098779      2.370566      6.220853
  N      -2.201066      1.091302      7.726458
  C      -1.255813      1.231209      8.825519
  C      -0.878407      2.695200      8.980263
  N      -0.606746      3.284883      7.638792
  C      -0.886788      4.738096      7.600394
  C      -2.385165      4.966752      7.750206
  C       0.773421      2.961513      7.178950
  C       0.772597      2.731234      5.673325
  N      -0.338875      1.861012      5.357593
  H      -2.619451      6.008253      7.444699
  H      -2.662530      4.914847      8.827408
  H      -0.536588      5.105939      6.625357
  H      -0.323523      5.275322      8.387114
  H       1.738236      2.279357      5.379892
  H       0.719603      3.708593      5.139975
  H       1.068114      2.024658      7.670074
  H       1.476028      3.754293      7.490450
  H      -1.671829      0.875331      9.786080
  H      -0.353965      0.609511      8.631527
  H      -1.729525      3.232904      9.415940
  H      -0.006341      2.833116      9.643691
  C      -4.558971      4.068837      7.303275
  C      -5.410572      3.607879      6.169872
  C      -6.588144      4.126056      5.779335
  C      -7.333864      3.576456      4.643455
  N      -6.695385      2.718862      3.844493
  C      -7.371832      2.197480      2.798936
  N      -8.620192      2.448860      2.438309
  C      -9.302409      3.323760      3.234665
  C     -10.654519      3.616824      2.924350
  C     -11.382862      4.472349      3.723779
  C     -10.790487      5.071022      4.860664
  C      -9.474335      4.807883      5.182565
  C      -8.698552      3.933585      4.381254
  C      -0.219056      1.009458      4.179496
  C      -0.502649     -0.412140      4.560513
  C      -1.360586     -1.311639      4.023079
  C      -2.272464     -1.152017      2.899281
  N      -2.152872     -0.086862      2.095057
  C      -3.106505      0.099888      1.154823
  N      -4.154814     -0.656429      0.890415
  C      -4.266743     -1.794456      1.642494
  C      -5.350195     -2.669603      1.386922
  C      -5.486181     -3.839398      2.105251
  C      -4.545301     -4.172862      3.104673
  C      -3.491294     -3.325063      3.387897
  C      -3.323614     -2.114365      2.670698
  C      -3.027655     -0.119809      7.807703
  C      -4.184803      0.140941      8.723829
  C      -5.506984      0.142365      8.440590
  C      -6.150238     -0.222187      7.180259
  N      -5.538319     -1.082695      6.361177
  C      -6.161183     -1.396321      5.199700
  N      -7.352921     -1.007052      4.785996
  C      -8.011504     -0.133326      5.606243
  C      -9.292518      0.332080      5.219357
  C      -9.968964      1.239905      6.006697
  C      -9.388207      1.723249      7.200879
  C      -8.142912      1.282080      7.602922
  C      -7.433153      0.329723      6.829907
  H      -4.827691      5.110668      7.567439
  H      -4.796759      3.459247      8.208808
  H      -5.036598      2.750497      5.610177
  H      -7.019966      4.972564      6.317888
  H      -6.808649      1.487704      2.183099
  H     -11.090246      3.138183      2.046139
  H     -12.425062      4.689782      3.482801
  H     -11.380268      5.743313      5.485980
  H      -9.037375      5.267822      6.068983
  H       0.814619      1.061236      3.779943
  H      -0.878395      1.319795      3.353461
  H       0.033142     -0.728769      5.462262
  H      -1.428950     -2.265120      4.547205
  H      -2.990139      1.000380      0.541656
  H      -6.060031     -2.384911      0.609224
  H      -6.324515     -4.509168      1.906878
  H      -4.659179     -5.100850      3.667183
  H      -2.791412     -3.599469      4.176162
  H      -2.425880     -0.967969      8.194400
  H      -3.380427     -0.405553      6.813024
  H      -3.904667      0.480413      9.727899
  H      -6.178472      0.495759      9.225909
  H      -5.606430     -2.069068      4.540092
  H      -9.704561     -0.032270      4.277568
  H     -10.948286      1.608272      5.696345
  H      -9.924488      2.460183      7.801031
  H      -7.700236      1.681725      8.515472
  N      -2.017034      3.916635      4.340680
  H      -1.258335      4.600871      4.283949
  H      -2.893917      4.437483      4.412892
  H      -2.031088      3.409333      3.451756
  N      -3.309111      1.392352      5.044355
  N      -3.970476      0.755127      4.356441
95
Coordinates from ORCA-job orca E -6310.859221296540
  N      -3.143295      3.979984      6.967209
  Mo     -2.098718      2.361373      6.216842
  N      -2.204611      1.086367      7.725662
  C      -1.263870      1.231833      8.828125
  C      -0.891089      2.697240      8.980061
  N      -0.615842      3.283327      7.637672
  C      -0.899542      4.735611      7.593491
  C      -2.399411      4.960664      7.737941
  C       0.766714      2.959791      7.184843
  C       0.774949      2.720979      5.680874
  N      -0.334021      1.848209      5.361470
  H      -2.635591      6.000579      7.428601
  H      -2.679428      4.911148      8.814386
  H      -0.547116      5.101458      6.618542
  H      -0.340561      5.277139      8.380342
  H       1.743162      2.267964      5.397573
  H       0.725670      3.694872      5.140724
  H       1.060519      2.026343      7.682882
  H       1.466833      3.755221      7.494954
  H      -1.682308      0.877550      9.788101
  H      -0.359800      0.611949      8.638993
  H      -1.745200      3.233940      9.410969
  H      -0.021717      2.839641      9.646033
  C      -4.567025      4.039284      7.298027
  C      -5.419109      3.584644      6.162389
  C      -6.597339      4.106807      5.778991
  C      -7.349525      3.566173      4.643079
  N      -6.722975      2.698569      3.845440
  C      -7.407451      2.183765      2.801861
  N      -8.652876      2.450115      2.442009
  C      -9.322533      3.336841      3.235968
  C     -10.670239      3.648349      2.924779
  C     -11.385963      4.517004      3.721360
  C     -10.784840      5.110358      4.856363
  C      -9.472687      4.829040      5.179155
  C      -8.709582      3.941086      4.380703
  C      -0.214111      1.019041      4.167287
  C      -0.458962     -0.414875      4.528546
  C      -1.308053     -1.320902      3.989088
  C      -2.235863     -1.154409      2.879193
  N      -2.115628     -0.093070      2.070152
  C      -3.074701      0.094363      1.135047
  N      -4.126508     -0.659554      0.878812
  C      -4.242570     -1.790870      1.640338
  C      -5.332255     -2.661494      1.396124
  C      -5.474823     -3.822219      2.127761
  C      -4.535735     -4.149888      3.130868
  C      -3.474844     -3.306834      3.402048
  C      -3.298147     -2.107628      2.668045
  C      -3.032760     -0.123326      7.811542
  C      -4.188343      0.140309      8.728950
  C      -5.510722      0.142453      8.447049
  C      -6.156784     -0.223880      7.188751
  N      -5.545774     -1.084090      6.368574
  C      -6.171473     -1.399892      5.209340
  N      -7.365520     -1.013857      4.799269
  C      -8.022675     -0.139856      5.620180
  C      -9.304649      0.324650      5.235413
  C      -9.977968      1.236356      6.020953
  C      -9.393756      1.723315      7.211918
  C      -8.148232      1.281606      7.612792
  C      -7.441030      0.326546      6.840911
  H      -4.845843      5.074789      7.575960
  H      -4.794430      3.415171      8.196153
  H      -5.046789      2.732041      5.594005
  H      -7.025588      4.950182      6.325010
  H      -6.854790      1.464800      2.187306
  H     -11.112774      3.173520      2.047946
  H     -12.424695      4.749245      3.479425
  H     -11.364597      5.793149      5.479602
  H      -9.029252      5.285804      6.063908
  H       0.809390      1.102102      3.747740
  H      -0.895830      1.326139      3.358466
  H       0.096275     -0.735621      5.416959
  H      -1.352314     -2.285585      4.495119
  H      -2.957072      0.991430      0.517168
  H      -6.042121     -2.380284      0.617241
  H      -6.318048     -4.488346      1.938284
  H      -4.657108     -5.068885      3.706358
  H      -2.778381     -3.574137      4.195778
  H      -2.430831     -0.971180      8.198491
  H      -3.388939     -0.410104      6.818398
  H      -3.907514      0.480256      9.732592
  H      -6.181101      0.497305      9.232636
  H      -5.617318     -2.071116      4.548293
  H      -9.719292     -0.042754      4.295998
  H     -10.957913      1.604274      5.711979
  H      -9.927526      2.463157      7.810696
  H      -7.703042      1.683818      8.522949
  N      -2.005260      3.906086      4.338404
  H      -1.244920      4.588633      4.283605
  H      -2.880719      4.428906      4.414087
  H      -2.021607      3.403144      3.447082
  N      -3.301763      1.376129      5.039597
  N      -3.956575      0.735274      4.348301
95
Coordinates from ORCA-job orca E -6310.859485409693
  N      -3.152553      3.966473      6.956264
  Mo     -2.098372      2.349770      6.213842
  N      -2.207685      1.079692      7.726477
  C      -1.271316      1.231378      8.832092
  C      -0.903298      2.698228      8.980380
  N      -0.624639      3.280397      7.636553
  C      -0.912703      4.731656      7.586374
  C      -2.414092      4.952493      7.725701
  C       0.760542      2.957323      7.190695
  C       0.777314      2.709349      5.688705
  N      -0.328414      1.832874      5.366030
  H      -2.652362      5.990806      7.412492
  H      -2.696642      4.905457      8.801517
  H      -0.558389      5.095537      6.611329
  H      -0.357990      5.277829      8.373143
  H       1.748435      2.256193      5.415032
  H       0.730900      3.679718      5.141640
  H       1.054198      2.027723      7.696030
  H       1.457790      3.756036      7.498902
  H      -1.691833      0.878822      9.791778
  H      -0.364875      0.613412      8.647707
  H      -1.760404      3.234060      9.406476
  H      -0.036402      2.845696      9.648577
  C      -4.575697      4.008188      7.292875
  C      -5.429437      3.559305      6.155903
  C      -6.608646      4.084915      5.780051
  C      -7.366907      3.550643      4.645122
  N      -6.751500      2.672375      3.850498
  C      -7.443042      2.162048      2.809300
  N      -8.685715      2.441315      2.449458
  C      -9.343721      3.340016      3.239704
  C     -10.687227      3.667916      2.927013
  C     -11.391196      4.550120      3.719297
  C     -10.781925      5.141058      4.851285
  C      -9.473447      4.844004      5.175255
  C      -8.722297      3.941774      4.381297
  C      -0.207953      1.026942      4.155826
  C      -0.413099     -0.418458      4.496828
  C      -1.253989     -1.330888      3.954587
  C      -2.197626     -1.156997      2.858800
  N      -2.077579     -0.098641      2.046007
  C      -3.041413      0.089540      1.115123
  N      -4.095448     -0.663362      0.864844
  C      -4.215449     -1.788273      1.635319
  C      -5.310538     -2.655093      1.401233
  C      -5.459739     -3.806528      2.146183
  C      -4.523267     -4.127720      3.154124
  C      -3.456164     -3.289033      3.414278
  C      -3.270447     -2.101408      2.663613
  C      -3.037051     -0.129041      7.816024
  C      -4.192185      0.139309      8.733465
  C      -5.514960      0.146185      8.451880
  C      -6.164250     -0.216260      7.193926
  N      -5.556052     -1.075009      6.370222
  C      -6.184727     -1.388320      5.211842
  N      -7.379973     -1.000820      4.805718
  C      -8.034333     -0.127861      5.630173
  C      -9.317272      0.338117      5.249916
  C      -9.987723      1.249072      6.038912
  C      -9.399923      1.733391      7.229331
  C      -8.153791      1.289558      7.626271
  C      -7.449277      0.335485      6.850610
  H      -4.864107      5.037357      7.583994
  H      -4.792055      3.370028      8.183791
  H      -5.060016      2.710623      5.579723
  H      -7.033141      4.926094      6.332363
  H      -6.900104      1.433610      2.197386
  H     -11.136099      3.194786      2.052342
  H     -12.426787      4.795269      3.476136
  H     -11.352377      5.834789      5.471222
  H      -9.023760      5.299652      6.057481
  H       0.804482      1.142264      3.717740
  H      -0.912623      1.328811      3.365034
  H       0.163167     -0.742872      5.370512
  H      -1.274690     -2.306225      4.441535
  H      -2.923286      0.984168      0.493667
  H      -6.019919     -2.378020      0.620264
  H      -6.307329     -4.469532      1.964724
  H      -4.652221     -5.037653      3.742418
  H      -2.763344     -3.548411      4.213951
  H      -2.436007     -0.977169      8.203928
  H      -3.395659     -0.417330      6.824174
  H      -3.911002      0.478452      9.737382
  H      -6.183732      0.502410      9.238392
  H      -5.632391     -2.059476      4.548184
  H      -9.734904     -0.027363      4.310950
  H     -10.968181      1.618630      5.733129
  H      -9.931366      2.472829      7.830847
  H      -7.705844      1.689423      8.536244
  N      -1.993730      3.892297      4.336018
  H      -1.231145      4.572546      4.281586
  H      -2.867416      4.417700      4.415655
  H      -2.013699      3.392671      3.442807
  N      -3.294981      1.359107      5.036121
  N      -3.944553      0.716605      4.341351
95
Coordinates from ORCA-job orca E -6310.859572724795
  N      -3.164586      3.946334      6.937108
  Mo     -2.098297      2.332030      6.207964
  N      -2.216730      1.070694      7.727192
  C      -1.286501      1.229494      8.836701
  C      -0.922310      2.697561      8.979050
  N      -0.637223      3.274319      7.633781
  C      -0.930789      4.724206      7.574882
  C      -2.434498      4.939764      7.705232
  C       0.751665      2.951673      7.199320
  C       0.781185      2.690940      5.700780
  N      -0.319737      1.809328      5.374147
  H      -2.675214      5.975593      7.386115
  H      -2.721654      4.896318      8.779679
  H      -0.572429      5.085146      6.600292
  H      -0.383015      5.276657      8.362118
  H       1.755827      2.237373      5.441213
  H       0.738882      3.656068      5.144159
  H       1.044330      2.027420      7.715038
  H       1.444755      3.754804      7.505049
  H      -1.710475      0.880864      9.796194
  H      -0.378862      0.612545      8.659566
  H      -1.782456      3.233102      9.397960
  H      -0.059681      2.850504      9.650820
  C      -4.586514      3.961034      7.281135
  C      -5.441403      3.521046      6.141209
  C      -6.620733      4.054111      5.776502
  C      -7.388441      3.527922      4.644763
  N      -6.790318      2.625632      3.858571
  C      -7.492145      2.114441      2.825073
  N      -8.729775      2.411911      2.465315
  C      -9.369641      3.336171      3.246164
  C     -10.706181      3.685311      2.931962
  C     -11.392382      4.593502      3.714654
  C     -10.771543      5.189914      4.838354
  C      -9.469404      4.872488      5.163530
  C      -8.736234      3.943203      4.379163
  C      -0.196664      1.038079      4.140666
  C      -0.342747     -0.425552      4.447517
  C      -1.168367     -1.345925      3.897191
  C      -2.130572     -1.158597      2.819981
  N      -2.004673     -0.105436      2.001409
  C      -2.970847      0.086103      1.074837
  N      -4.030782     -0.660150      0.833122
  C      -4.162056     -1.775271      1.616412
  C      -5.266543     -2.632537      1.395150
  C      -5.429758     -3.770638      2.158007
  C      -4.500375     -4.086170      3.173747
  C      -3.423387     -3.257379      3.420234
  C      -3.219426     -2.086980      2.646185
  C      -3.052023     -0.131085      7.825192
  C      -4.202258      0.148613      8.741210
  C      -5.525858      0.160631      8.463501
  C      -6.185106     -0.205273      7.211280
  N      -5.581815     -1.071012      6.382663
  C      -6.221592     -1.388688      5.231027
  N      -7.424332     -1.000646      4.837173
  C      -8.073164     -0.119901      5.666199
  C      -9.361634      0.348650      5.297235
  C     -10.024321      1.268705      6.089056
  C      -9.424082      1.758305      7.272214
  C      -8.173682      1.311220      7.659052
  C      -7.475657      0.349186      6.879413
  H      -4.889104      4.980090      7.592659
  H      -4.787174      3.301648      8.160234
  H      -5.075737      2.678838      5.552993
  H      -7.038793      4.892406      6.338041
  H      -6.964547      1.363662      2.221488
  H     -11.164037      3.207564      2.063746
  H     -12.422507      4.855243      3.470174
  H     -11.327895      5.904319      5.450965
  H      -9.011034      5.333330      6.039216
  H       0.799443      1.202904      3.677244
  H      -0.932349      1.333086      3.375720
  H       0.261134     -0.756459      5.300544
  H      -1.155863     -2.337835      4.353116
  H      -2.843916      0.974625      0.445657
  H      -5.972388     -2.358498      0.610653
  H      -6.284608     -4.426041      1.986616
  H      -4.643766     -4.982722      3.779745
  H      -2.738497     -3.508200      4.229267
  H      -2.455477     -0.977572      8.216230
  H      -3.416121     -0.423117      6.837044
  H      -3.917027      0.491531      9.742403
  H      -6.188863      0.524270      9.250904
  H      -5.673018     -2.065472      4.562658
  H      -9.788970     -0.021656      4.363739
  H     -11.008768      1.640561      5.791571
  H      -9.949548      2.504137      7.876346
  H      -7.716825      1.714236      8.564109
  N      -1.975349      3.871107      4.332557
  H      -1.209123      4.547022      4.279758
  H      -2.845594      4.400827      4.417470
  H      -2.000331      3.377296      3.436285
  N      -3.281238      1.331831      5.023989
  N      -3.914452      0.683922      4.317334
95
Coordinates from ORCA-job orca E -6310.859101212650
  N      -3.174280      3.926182      6.912971
  Mo     -2.098578      2.310074      6.203946
  N      -2.230532      1.065915      7.734915
  C      -1.305785      1.231950      8.846169
  C      -0.940338      2.699785      8.975763
  N      -0.648118      3.265769      7.626338
  C      -0.945136      4.713997      7.553216
  C      -2.450013      4.927566      7.674680
  C       0.742845      2.939346      7.204830
  C       0.783654      2.659758      5.711535
  N      -0.313032      1.773741      5.385967
  H      -2.691734      5.959485      7.345798
  H      -2.740194      4.892351      8.747788
  H      -0.583260      5.067558      6.577121
  H      -0.403406      5.274744      8.338434
  H       1.760355      2.203451      5.467202
  H       0.746129      3.617474      5.141222
  H       1.032897      2.022356      7.735272
  H       1.432863      3.746405      7.503755
  H      -1.733045      0.892440      9.807209
  H      -0.400670      0.612635      8.677663
  H      -1.800765      3.239023      9.386020
  H      -0.082129      2.857693      9.649897
  C      -4.593892      3.919037      7.262813
  C      -5.454976      3.485461      6.124908
  C      -6.632883      4.033183      5.772976
  C      -7.410803      3.515219      4.644597
  N      -6.828625      2.596887      3.865221
  C      -7.538856      2.086001      2.838545
  N      -8.771245      2.398516      2.478383
  C      -9.394150      3.339355      3.250759
  C     -10.723475      3.700105      2.936215
  C     -11.393664      4.618675      3.713151
  C     -10.763384      5.215042      4.831110
  C      -9.467937      4.887397      5.156442
  C      -8.751085      3.946368      4.378265
  C      -0.187280      1.036366      4.135116
  C      -0.279183     -0.437524      4.404283
  C      -1.089634     -1.361336      3.841676
  C      -2.066720     -1.155815      2.783128
  N      -1.930153     -0.106824      1.961388
  C      -2.897581      0.093698      1.039906
  N      -3.971208     -0.639466      0.807693
  C      -4.119155     -1.745199      1.601789
  C      -5.241601     -2.586285      1.395454
  C      -5.424754     -3.710139      2.175306
  C      -4.500033     -4.025878      3.195804
  C      -3.404774     -3.213971      3.426462
  C      -3.176324     -2.062387      2.629746
  C      -3.076465     -0.121814      7.844023
  C      -4.218940      0.172567      8.759551
  C      -5.543357      0.186976      8.485501
  C      -6.206748     -0.185772      7.238940
  N      -5.607901     -1.038943      6.408411
  C      -6.251189     -1.361512      5.261380
  N      -7.449821     -0.990848      4.872303
  C      -8.092061     -0.121658      5.701023
  C      -9.372642      0.336208      5.330111
  C     -10.025872      1.249901      6.116013
  C      -9.424320      1.742065      7.296344
  C      -8.182468      1.306272      7.685043
  C      -7.492811      0.353553      6.909768
  H      -4.906806      4.928449      7.588417
  H      -4.778572      3.245726      8.132183
  H      -5.099120      2.646389      5.527076
  H      -7.040501      4.872118      6.341310
  H      -7.025263      1.317117      2.243601
  H     -11.188574      3.221874      2.072743
  H     -12.418060      4.889155      3.468364
  H     -11.307112      5.937536      5.439211
  H      -9.002297      5.348423      6.027538
  H       0.789211      1.248077      3.657434
  H      -0.946519      1.319130      3.393886
  H       0.349068     -0.773644      5.236261
  H      -1.049695     -2.366733      4.262551
  H      -2.754231      0.975235      0.403497
  H      -5.945865     -2.310907      0.610118
  H      -6.293542     -4.352608      2.015755
  H      -4.662832     -4.907812      3.818685
  H      -2.725611     -3.459695      4.242104
  H      -2.488512     -0.968625      8.236940
  H      -3.448666     -0.415208      6.859422
  H      -3.929475      0.520501      9.756784
  H      -6.203123      0.556549      9.271523
  H      -5.709702     -2.026554      4.591792
  H      -9.800304     -0.035614      4.398378
  H     -11.003671      1.613583      5.816641
  H      -9.941788      2.480910      7.896317
  H      -7.724519      1.710828      8.587283
  N      -1.956229      3.839218      4.326381
  H      -1.185872      4.509268      4.272933
  H      -2.822165      4.374396      4.414722
  H      -1.986612      3.348078      3.428744
  N      -3.273610      1.300901      5.017474
  N      -3.895785      0.655312      4.297576
95
Coordinates from ORCA-job orca E -6310.852324050603
  N      -3.196948      3.904343      6.918595
  Mo     -2.110897      2.295186      6.206634
  N      -2.212952      1.049060      7.738167
  C      -1.275035      1.229459      8.836343
  C      -0.926755      2.708917      8.960139
  N      -0.654576      3.277510      7.608569
  C      -0.969207      4.727273      7.533447
  C      -2.479912      4.920120      7.670937
  C       0.737907      2.966081      7.176544
  C       0.767574      2.677165      5.687569
  N      -0.322402      1.774638      5.372400
  H      -2.740329      5.952181      7.344348
  H      -2.760363      4.881220      8.746295
  H      -0.622981      5.086034      6.554284
  H      -0.421988      5.298230      8.309880
  H       1.746252      2.230660      5.439158
  H       0.715820      3.631340      5.115299
  H       1.043820      2.053079      7.707840
  H       1.422377      3.785840      7.465114
  H      -1.687164      0.881809      9.799664
  H      -0.361160      0.622457      8.658818
  H      -1.792413      3.238695      9.375381
  H      -0.060377      2.881560      9.625239
  C      -4.616800      3.870695      7.291986
  C      -5.482609      3.442888      6.154366
  C      -6.659804      3.996402      5.815121
  C      -7.432789      3.508405      4.668588
  N      -6.844497      2.639148      3.875640
  C      -7.543979      2.189428      2.819853
  N      -8.770433      2.532827      2.442073
  C      -9.399619      3.426535      3.224424
  C     -10.721639      3.832163      2.880967
  C     -11.396906      4.715199      3.659722
  C     -10.779752      5.230667      4.807988
  C      -9.491045      4.859736      5.161906
  C      -8.768386      3.957595      4.382109
  C      -0.188345      1.047681      4.111517
  C      -0.244657     -0.435812      4.379725
  C      -1.047973     -1.372773      3.828236
  C      -2.054245     -1.171350      2.787089
  N      -1.951291     -0.123234      1.963539
  C      -2.948168      0.068797      1.060441
  N      -4.024145     -0.670866      0.851389
  C      -4.140232     -1.772907      1.650081
  C      -5.266393     -2.618362      1.471827
  C      -5.419586     -3.735160      2.260375
  C      -4.461401     -4.038872      3.262375
  C      -3.361389     -3.223323      3.464690
  C      -3.162863     -2.080565      2.657695
  C      -3.042325     -0.162358      7.852181
  C      -4.195106      0.091636      8.808463
  C      -5.522437      0.101846      8.539667
  C      -6.176435     -0.242038      7.269568
  N      -5.566466     -1.073345      6.443313
  C      -6.205213     -1.360900      5.277656
  N      -7.410318     -0.968762      4.858198
  C      -8.064167     -0.116542      5.677780
  C      -9.353592      0.375167      5.270979
  C     -10.019206      1.289304      6.042272
  C      -9.423014      1.743493      7.243803
  C      -8.173244      1.265485      7.670985
  C      -7.469740      0.316033      6.910396
  H      -4.945371      4.876782      7.635240
  H      -4.781820      3.180118      8.159956
  H      -5.130772      2.614816      5.539520
  H      -7.064701      4.824284      6.396975
  H      -7.024193      1.464984      2.211720
  H     -11.176217      3.418875      1.992503
  H     -12.415620      5.023586      3.391409
  H     -11.327709      5.925228      5.417038
  H      -9.035364      5.261234      6.054532
  H       0.784849      1.280952      3.618199
  H      -0.965783      1.324114      3.380218
  H       0.407084     -0.767228      5.199561
  H      -0.979575     -2.385302      4.244823
  H      -2.831049      0.949222      0.421101
  H      -5.997930     -2.351335      0.701392
  H      -6.290485     -4.380962      2.122320
  H      -4.600907     -4.914329      3.891789
  H      -2.654894     -3.457431      4.265125
  H      -2.424446     -1.025400      8.223176
  H      -3.419417     -0.437990      6.858634
  H      -3.909081      0.417806      9.822807
  H      -6.189715      0.448233      9.345801
  H      -5.657304     -2.007013      4.615807
  H      -9.777174      0.037434      4.320902
  H     -11.003148      1.688529      5.711073
  H      -9.951033      2.488950      7.829115
  H      -7.721038      1.644476      8.586823
  N      -2.000321      3.826265      4.331521
  H      -1.235511      4.507634      4.267963
  H      -2.875099      4.352741      4.432401
  H      -2.038570      3.335561      3.434590
  N      -3.280919      1.282990      5.031660
  N      -3.901438      0.639916      4.315561
95
Coordinates from ORCA-job orca E -6310.857363267644
  N      -3.186893      3.920327      6.917375
  Mo     -2.108398      2.307401      6.206350
  N      -2.222551      1.062963      7.739637
  C      -1.291475      1.244330      8.849396
  C      -0.941111      2.721157      8.975057
  N      -0.654584      3.280952      7.621368
  C      -0.960065      4.729780      7.542776
  C      -2.467322      4.933212      7.669373
  C       0.737605      2.959234      7.199326
  C       0.773763      2.671432      5.706028
  N      -0.321337      1.778522      5.382648
  H      -2.718896      5.962877      7.336621
  H      -2.752411      4.901032      8.743871
  H      -0.603953      5.083085      6.564165
  H      -0.416831      5.297288      8.324636
  H       1.753314      2.218946      5.459906
  H       0.729380      3.627257      5.132131
  H       1.034827      2.045757      7.734193
  H       1.424722      3.772732      7.493146
  H      -1.712108      0.902071      9.812532
  H      -0.373856      0.633149      8.680989
  H      -1.810229      3.257654      9.381364
  H      -0.080535      2.891996      9.651157
  C      -4.604934      3.894694      7.283311
  C      -5.465479      3.451704      6.150206
  C      -6.649377      3.986774      5.806988
  C      -7.438873      3.475147      4.681057
  N      -6.871906      2.565785      3.884018
  C      -7.596903      2.096153      2.843831
  N      -8.827288      2.451277      2.482082
  C      -9.435111      3.391700      3.269103
  C     -10.760137      3.832294      2.941264
  C     -11.411359      4.784414      3.720805
  C     -10.767141      5.327925      4.857249
  C      -9.475725      4.916122      5.197533
  C      -8.776521      3.949368      4.413400
  C      -0.189942      1.043265      4.129539
  C      -0.266434     -0.428405      4.398508
  C      -1.071798     -1.361548      3.839274
  C      -2.065563     -1.166002      2.787277
  N      -1.962434     -0.115685      1.964614
  C      -2.951355      0.069660      1.052649
  N      -4.010682     -0.682146      0.829266
  C      -4.120955     -1.789722      1.621794
  C      -5.222933     -2.651831      1.421169
  C      -5.366043     -3.778652      2.198069
  C      -4.420777     -4.075653      3.209789
  C      -3.345473     -3.242634      3.435079
  C      -3.159140     -2.088574      2.641898
  C      -3.058697     -0.149162      7.842143
  C      -4.217031      0.128777      8.764234
  C      -5.538211      0.145167      8.481490
  C      -6.191498     -0.223277      7.230174
  N      -5.581258     -1.093622      6.417401
  C      -6.208204     -1.432624      5.271880
  N      -7.404641     -1.060607      4.870464
  C      -8.060492     -0.164061      5.678000
  C      -9.339751      0.304494      5.289852
  C     -10.007731      1.263712      6.046095
  C      -9.422977      1.784559      7.215988
  C      -8.182151      1.325829      7.627439
  C      -7.477199      0.329822      6.881222
  H      -4.931770      4.900248      7.614210
  H      -4.772179      3.216567      8.154185
  H      -5.102945      2.616835      5.549588
  H      -7.056251      4.822195      6.381494
  H      -7.094676      1.348331      2.228144
  H     -11.236572      3.398052      2.060983
  H     -12.431599      5.125830      3.461670
  H     -11.295633      6.079375      5.466501
  H      -8.997304      5.342929      6.079776
  H       0.782594      1.264501      3.652460
  H      -0.953843      1.319250      3.389473
  H       0.369753     -0.757655      5.226400
  H      -1.016524     -2.367928      4.258968
  H      -2.843697      0.954979      0.419111
  H      -5.942961     -2.390360      0.641549
  H      -6.217513     -4.438496      2.041904
  H      -4.550498     -4.960442      3.828800
  H      -2.646276     -3.474210      4.240671
  H      -2.457155     -1.006644      8.229289
  H      -3.420901     -0.439468      6.851672
  H      -3.936867      0.471434      9.766570
  H      -6.202147      0.513883      9.263270
  H      -5.652998     -2.116043      4.616287
  H      -9.754854     -0.084213      4.364540
  H     -10.983860      1.641665      5.729633
  H      -9.952839      2.567729      7.789944
  H      -7.738093      1.752837      8.521975
  N      -1.985735      3.835645      4.327809
  H      -1.218100      4.511512      4.267008
  H      -2.856006      4.367016      4.420733
  H      -2.021169      3.340933      3.431847
  N      -3.273684      1.288618      5.026452
  N      -3.891218      0.632063      4.317786
95
Coordinates from ORCA-job orca E -6310.855096279193
  N      -3.165301      3.929911      6.899931
  Mo     -2.090110      2.316563      6.196170
  N      -2.243543      1.070112      7.724142
  C      -1.329435      1.234079      8.845919
  C      -0.962935      2.697389      8.982941
  N      -0.650202      3.260768      7.636562
  C      -0.939868      4.705788      7.564374
  C      -2.442645      4.926172      7.671322
  C       0.743539      2.927654      7.231423
  C       0.801040      2.651606      5.735089
  N      -0.298668      1.775369      5.394156
  H      -2.675171      5.958083      7.343007
  H      -2.742772      4.889799      8.743085
  H      -0.564347      5.057584      6.592867
  H      -0.406275      5.260683      8.356011
  H       1.780016      2.190077      5.498735
  H       0.775959      3.610802      5.165010
  H       1.021711      2.010815      7.763627
  H       1.433413      3.728694      7.540158
  H      -1.767448      0.895883      9.804003
  H      -0.421835      0.613329      8.685215
  H      -1.828200      3.238928      9.383296
  H      -0.114253      2.851450      9.668642
  C      -4.584622      3.922020      7.246258
  C      -5.442910      3.496389      6.098144
  C      -6.620178      4.039902      5.740661
  C      -7.390525      3.510177      4.614179
  N      -6.802191      2.609672      3.824668
  C      -7.505824      2.085252      2.797366
  N      -8.738345      2.357304      2.449713
  C      -9.366199      3.275663      3.235110
  C     -10.693283      3.587909      2.936314
  C     -11.368406      4.482949      3.724524
  C     -10.743487      5.105550      4.838815
  C      -9.451096      4.825421      5.148799
  C      -8.729863      3.905850      4.359361
  C      -0.177168      1.043823      4.135342
  C      -0.274521     -0.421689      4.401121
  C      -1.086025     -1.343958      3.833498
  C      -2.047581     -1.148564      2.763468
  N      -1.880440     -0.111855      1.923497
  C      -2.826728      0.078406      0.986677
  N      -3.897874     -0.654667      0.751349
  C      -4.077597     -1.748088      1.565057
  C      -5.202951     -2.588778      1.358870
  C      -5.420931     -3.700901      2.160786
  C      -4.527892     -4.005254      3.202081
  C      -3.427588     -3.194200      3.430999
  C      -3.166551     -2.053019      2.613680
  C      -3.086336     -0.123772      7.818625
  C      -4.229634      0.166303      8.728133
  C      -5.554689      0.193370      8.459988
  C      -6.238868     -0.156763      7.215857
  N      -5.660679     -1.021370      6.350030
  C      -6.333895     -1.326028      5.209447
  N      -7.548720     -0.922915      4.861784
  C      -8.168437     -0.047311      5.731226
  C      -9.460104      0.425581      5.415384
  C     -10.086905      1.334074      6.249172
  C      -9.446817      1.806811      7.424154
  C      -8.194933      1.357303      7.759377
  C      -7.532422      0.405531      6.935591
  H      -4.895202      4.929437      7.583792
  H      -4.773391      3.237644      8.108413
  H      -5.084575      2.655676      5.501497
  H      -7.037512      4.871454      6.312338
  H      -6.985185      1.336425      2.191836
  H     -11.154914      3.090524      2.075172
  H     -12.390504      4.713206      3.493458
  H     -11.292403      5.807996      5.455284
  H      -8.988416      5.301569      6.019070
  H       0.796333      1.255240      3.662092
  H      -0.935779      1.331146      3.392744
  H       0.346087     -0.751614      5.237501
  H      -1.059283     -2.338226      4.258805
  H      -2.666409      0.949909      0.336332
  H      -5.882174     -2.323104      0.556726
  H      -6.293428     -4.342541      2.001040
  H      -4.717676     -4.878903      3.842641
  H      -2.770543     -3.431845      4.260870
  H      -2.503073     -0.970447      8.209145
  H      -3.449445     -0.416332      6.832447
  H      -3.937768      0.504018      9.728144
  H      -6.204463      0.557977      9.258569
  H      -5.804958     -2.002924      4.508003
  H      -9.918630      0.066391      4.487929
  H     -11.072483      1.706598      5.993958
  H      -9.943817      2.539900      8.061268
  H      -7.705479      1.745697      8.660638
  N      -1.927409      3.849019      4.322488
  H      -1.154131      4.512939      4.275756
  H      -2.788102      4.388159      4.406097
  H      -1.954561      3.360240      3.423212
  N      -3.256387      1.314085      4.983821
  N      -3.890366      0.677577      4.255021
95
Coordinates from ORCA-job orca E -6310.853301034363
  N      -3.178568      3.922110      6.914872
  Mo     -2.103520      2.306019      6.206858
  N      -2.233384      1.062616      7.734864
  C      -1.307438      1.228855      8.842560
  C      -0.942075      2.697819      8.974065
  N      -0.648846      3.267425      7.627193
  C      -0.947509      4.715779      7.556581
  C      -2.455514      4.927502      7.676881
  C       0.745033      2.947505      7.204800
  C       0.783736      2.676406      5.711314
  N      -0.311719      1.785958      5.382875
  H      -2.698051      5.960015      7.348080
  H      -2.748258      4.892465      8.750264
  H      -0.584803      5.070321      6.582159
  H      -0.405404      5.276668      8.340988
  H       1.761455      2.227403      5.459248
  H       0.740799      3.636291      5.150052
  H       1.039063      2.029777      7.728419
  H       1.433373      3.757745      7.506135
  H      -1.733565      0.887078      9.803037
  H      -0.402148      0.611522      8.670995
  H      -1.803633      3.234645      9.384529
  H      -0.084072      2.855162      9.646931
  C      -4.598995      3.914451      7.268346
  C      -5.460164      3.490596      6.125708
  C      -6.636294      4.049851      5.779329
  C      -7.430887      3.547027      4.651740
  N      -6.862082      2.596735      3.874656
  C      -7.583634      2.096291      2.846982
  N      -8.814599      2.440267      2.486604
  C      -9.426273      3.410036      3.259737
  C     -10.754859      3.792897      2.951247
  C     -11.414266      4.736269      3.729348
  C     -10.772503      5.338114      4.842532
  C      -9.478347      4.988221      5.163347
  C      -8.771940      4.015301      4.385954
  C      -0.181586      1.058918      4.110143
  C      -0.247804     -0.431456      4.390120
  C      -1.055625     -1.367323      3.843720
  C      -2.050479     -1.175181      2.793231
  N      -1.939575     -0.131243      1.962960
  C      -2.923268      0.053180      1.051029
  N      -3.986668     -0.691254      0.835284
  C      -4.111639     -1.790992      1.639721
  C      -5.226496     -2.640675      1.454517
  C      -5.387304     -3.756792      2.248039
  C      -4.447110     -4.055752      3.259788
  C      -3.356787     -3.236401      3.467921
  C      -3.153255     -2.091236      2.659063
  C      -3.070027     -0.128806      7.835674
  C      -4.216787      0.150022      8.747711
  C      -5.539665      0.155587      8.463780
  C      -6.192597     -0.214800      7.204221
  N      -5.592610     -1.052510      6.369859
  C      -6.248621     -1.361585      5.215751
  N      -7.457447     -0.982538      4.816835
  C      -8.095343     -0.135999      5.649306
  C      -9.384798      0.318253      5.275148
  C     -10.029525      1.199212      6.070394
  C      -9.411907      1.664631      7.263820
  C      -8.163860      1.235079      7.654341
  C      -7.483001      0.315540      6.870121
  H      -4.908684      4.924895      7.602747
  H      -4.789713      3.231453      8.134764
  H      -5.109904      2.648209      5.525812
  H      -7.033660      4.889449      6.356016
  H      -7.079168      1.293202      2.254958
  H     -11.230338      3.309957      2.092020
  H     -12.436902      5.020927      3.490355
  H     -11.309509      6.080673      5.449659
  H      -9.003643      5.448844      6.032692
  H       0.804103      1.285217      3.606584
  H      -0.963871      1.354800      3.373684
  H       0.403725     -0.766015      5.215734
  H      -0.996796     -2.379102      4.275293
  H      -2.808567      0.933384      0.409684
  H      -5.943364     -2.377898      0.675237
  H      -6.249959     -4.405801      2.104403
  H      -4.590879     -4.932718      3.891808
  H      -2.661476     -3.469963      4.273061
  H      -2.482196     -0.974442      8.228216
  H      -3.433666     -0.415697      6.845489
  H      -3.936224      0.492303      9.752529
  H      -6.208853      0.514086      9.252223
  H      -5.712350     -2.014888      4.546217
  H      -9.825804     -0.043388      4.337455
  H     -11.012592      1.559569      5.769412
  H      -9.922085      2.370097      7.870194
  H      -7.690671      1.619778      8.565450
  N      -1.976835      3.833873      4.329071
  H      -1.206643      4.504270      4.269150
  H      -2.843279      4.368455      4.422386
  H      -2.013653      3.340590      3.433968
  N      -3.268832      1.295382      5.017076
  N      -3.890629      0.656032      4.295824
95
Coordinates from ORCA-job orca E -6310.856747161920
  N      -3.184206      3.916591      6.914907
  Mo     -2.111061      2.298764      6.210382
  N      -2.229882      1.066298      7.751665
  C      -1.295835      1.244315      8.855842
  C      -0.934020      2.717880      8.971533
  N      -0.650211      3.272905      7.615431
  C      -0.952888      4.723201      7.530843
  C      -2.459857      4.930563      7.660345
  C       0.739418      2.947073      7.190786
  C       0.771080      2.656126      5.700094
  N      -0.326118      1.764441      5.382636
  H      -2.709285      5.959760      7.322923
  H      -2.742576      4.904480      8.734998
  H      -0.598572      5.071277      6.549718
  H      -0.406314      5.294121      8.308682
  H       1.747569      2.202046      5.451479
  H       0.726890      3.610237      5.124463
  H       1.035542      2.033967      7.727310
  H       1.429538      3.759760      7.480004
  H      -1.715160      0.909932      9.821878
  H      -0.386881      0.626446      8.686376
  H      -1.794852      3.259662      9.379804
  H      -0.070637      2.884689      9.641369
  C      -4.601149      3.899402      7.281828
  C      -5.469342      3.459494      6.153201
  C      -6.648055      4.010520      5.813021
  C      -7.443493      3.509597      4.688482
  N      -6.879463      2.597258      3.902829
  C      -7.605584      2.126639      2.872703
  N      -8.837672      2.481869      2.513783
  C      -9.443372      3.420220      3.292801
  C     -10.772693      3.840072      2.975036
  C     -11.422186      4.764649      3.755244
  C     -10.774212      5.309192      4.879310
  C      -9.477843      4.923378      5.207692
  C      -8.781389      3.977853      4.425010
  C      -0.192942      1.029279      4.133217
  C      -0.265540     -0.441469      4.399660
  C      -1.068275     -1.372446      3.839019
  C      -2.066061     -1.169692      2.790668
  N      -1.972517     -0.116077      1.978270
  C      -2.971434      0.077551      1.072673
  N      -4.036329     -0.668684      0.851168
  C      -4.137051     -1.779185      1.634588
  C      -5.246014     -2.633968      1.438921
  C      -5.378126     -3.761554      2.207306
  C      -4.413407     -4.067819      3.205383
  C      -3.331530     -3.242426      3.425459
  C      -3.158137     -2.087380      2.642401
  C      -3.073465     -0.131772      7.865473
  C      -4.228635      0.160060      8.778620
  C      -5.547265      0.170904      8.486946
  C      -6.180988     -0.214934      7.235652
  N      -5.554396     -1.080172      6.448249
  C      -6.162780     -1.432125      5.301270
  N      -7.350506     -1.082305      4.873892
  C      -8.024088     -0.186950      5.653759
  C      -9.301364      0.273875      5.233388
  C      -9.988061      1.234391      5.963032
  C      -9.426183      1.766485      7.134257
  C      -8.188277      1.320688      7.574493
  C      -7.463959      0.323061      6.856898
  H      -4.918040      4.906071      7.607421
  H      -4.772342      3.228738      8.153528
  H      -5.118883      2.619138      5.554929
  H      -7.044162      4.849747      6.386205
  H      -7.106663      1.366855      2.269167
  H     -11.251386      3.401383      2.106186
  H     -12.446988      5.082458      3.506694
  H     -11.301115      6.037176      5.490811
  H      -8.997267      5.346709      6.082173
  H       0.778986      1.252603      3.660007
  H      -0.951401      1.302436      3.394088
  H       0.372584     -0.770501      5.224638
  H      -1.010162     -2.383036      4.254566
  H      -2.867523      0.965857      0.444956
  H      -5.981152     -2.365094      0.669786
  H      -6.235639     -4.416057      2.056357
  H      -4.534682     -4.953408      3.816368
  H      -2.617454     -3.480185      4.219653
  H      -2.478544     -0.983683      8.264311
  H      -3.438600     -0.428490      6.878282
  H      -3.951085      0.513365      9.776356
  H      -6.218983      0.545485      9.255585
  H      -5.598555     -2.108208      4.666866
  H      -9.699381     -0.123614      4.308040
  H     -10.961824      1.607410      5.619721
  H      -9.971104      2.551760      7.687332
  H      -7.761013      1.760953      8.465125
  N      -1.992586      3.819304      4.324927
  H      -1.221685      4.491439      4.254861
  H      -2.860644      4.355477      4.420742
  H      -2.035645      3.318852      3.432670
  N      -3.282699      1.285673      5.038116
  N      -3.898854      0.635931      4.331363
95
Coordinates from ORCA-job orca E -6310.856739253282
  N      -3.175262      3.917776      6.906677
  Mo     -2.086108      2.314022      6.196072
  N      -2.225661      1.059832      7.720705
  C      -1.305099      1.228823      8.840455
  C      -0.951341      2.700327      8.982249
  N      -0.647939      3.269571      7.636953
  C      -0.952403      4.717153      7.568972
  C      -2.460734      4.921512      7.681150
  C       0.749649      2.948300      7.226612
  C       0.805313      2.670983      5.729111
  N      -0.290948      1.785434      5.386449
  H      -2.704104      5.955481      7.356951
  H      -2.760434      4.878626      8.753677
  H      -0.582118      5.076517      6.598319
  H      -0.419808      5.277570      8.361443
  H       1.788583      2.217130      5.490567
  H       0.771879      3.630591      5.159796
  H       1.036944      2.030812      7.756768
  H       1.435998      3.756296      7.536508
  H      -1.737105      0.881980      9.798077
  H      -0.387394      0.616515      8.673647
  H      -1.822895      3.235053      9.386654
  H      -0.096988      2.862606      9.666380
  C      -4.597365      3.895177      7.256785
  C      -5.448684      3.463230      6.108705
  C      -6.627933      3.991485      5.753622
  C      -7.398786      3.463663      4.626078
  N      -6.819653      2.556823      3.840909
  C      -7.532591      2.048053      2.811301
  N      -8.766593      2.347498      2.456742
  C      -9.386625      3.275670      3.240313
  C     -10.721012      3.641752      2.933208
  C     -11.385020      4.582717      3.710328
  C     -10.745945      5.187856      4.824308
  C      -9.446480      4.843451      5.146107
  C      -8.736772      3.887493      4.364646
  C      -0.165954      1.054789      4.126263
  C      -0.252919     -0.413072      4.391330
  C      -1.063041     -1.344178      3.827899
  C      -2.036209     -1.158909      2.760474
  N      -1.884452     -0.123791      1.915501
  C      -2.844759      0.057514      0.982757
  N      -3.917878     -0.683953      0.758903
  C      -4.082172     -1.775051      1.578721
  C      -5.212343     -2.621365      1.389367
  C      -5.422028     -3.726896      2.202950
  C      -4.513283     -4.021087      3.238758
  C      -3.404769     -3.206066      3.448712
  C      -3.153632     -2.070529      2.620937
  C      -3.061670     -0.156101      7.804131
  C      -4.215968      0.122138      8.740925
  C      -5.543457      0.163525      8.476232
  C      -6.226817     -0.152805      7.214292
  N      -5.633472     -0.999674      6.348689
  C      -6.293072     -1.286274      5.197619
  N      -7.511469     -0.883751      4.836146
  C      -8.151952     -0.023029      5.703838
  C      -9.453652      0.441003      5.379391
  C     -10.107831      1.336940      6.214334
  C      -9.485614      1.800675      7.397265
  C      -8.222054      1.353210      7.743712
  C      -7.530839      0.414940      6.919670
  H      -4.919147      4.900592      7.600528
  H      -4.779305      3.203351      8.117664
  H      -5.082429      2.629631      5.512911
  H      -7.047796      4.819743      6.326103
  H      -7.020984      1.305639      2.204409
  H     -11.192570      3.160841      2.070146
  H     -12.413660      4.868648      3.466326
  H     -11.283550      5.934857      5.430758
  H      -8.971942      5.314262      6.012913
  H       0.803891      1.271428      3.651127
  H      -0.927504      1.337949      3.387520
  H       0.371845     -0.736114      5.225525
  H      -1.028930     -2.335995      4.257150
  H      -2.697871      0.929063      0.329129
  H      -5.903843     -2.363709      0.591134
  H      -6.300518     -4.372098      2.058479
  H      -4.698888     -4.889406      3.889341
  H      -2.736312     -3.435277      4.274478
  H      -2.460260     -1.025515      8.180354
  H      -3.424262     -0.432558      6.805630
  H      -3.924080      0.438478      9.756903
  H      -6.192338      0.515138      9.293259
  H      -5.745752     -1.949236      4.498934
  H      -9.900775      0.083751      4.449351
  H     -11.100959      1.700586      5.950707
  H     -10.005711      2.523088      8.038811
  H      -7.747074      1.730625      8.651118
  N      -1.942081      3.853898      4.325605
  H      -1.171157      4.526576      4.275026
  H      -2.810339      4.387965      4.415325
  H      -1.969848      3.364253      3.425903
  N      -3.244935      1.316296      4.982078
  N      -3.884768      0.681828      4.260189
95
Coordinates from ORCA-job orca E -6310.857071329788
  N      -3.164204      3.930792      6.910669
  Mo     -2.102064      2.313288      6.206350
  N      -2.245517      1.074445      7.739008
  C      -1.321855      1.237340      8.851190
  C      -0.946391      2.700650      8.978077
  N      -0.646002      3.261118      7.627578
  C      -0.934458      4.707452      7.550339
  C      -2.435124      4.930008      7.668818
  C       0.742697      2.929909      7.210299
  C       0.782845      2.659655      5.715508
  N      -0.317106      1.781404      5.387686
  H      -2.671567      5.960142      7.336514
  H      -2.724977      4.898964      8.741354
  H      -0.568797      5.055082      6.573272
  H      -0.392189      5.265658      8.333839
  H       1.757000      2.202799      5.463791
  H       0.747511      3.620893      5.151427
  H       1.027068      2.011338      7.737546
  H       1.434476      3.731596      7.511951
  H      -1.752278      0.904168      9.813612
  H      -0.420611      0.612144      8.684939
  H      -1.803511      3.246691      9.385342
  H      -0.090683      2.852334      9.654207
  C      -4.583425      3.929420      7.267532
  C      -5.449108      3.502966      6.127743
  C      -6.626448      4.055673      5.778503
  C      -7.408638      3.540731      4.649932
  N      -6.827548      2.635006      3.860414
  C      -7.538321      2.133544      2.826832
  N      -8.771818      2.439189      2.471766
  C      -9.395129      3.364239      3.256073
  C     -10.726608      3.709487      2.951339
  C     -11.398222      4.604498      3.742172
  C     -10.766167      5.195849      4.863959
  C      -9.469299      4.887182      5.179046
  C      -8.750929      3.965790      4.388720
  C      -0.198302      1.049121      4.122947
  C      -0.281434     -0.428256      4.406416
  C      -1.094402     -1.356111      3.854601
  C      -2.070652     -1.164805      2.791197
  N      -1.935970     -0.122399      1.959156
  C      -2.898746      0.063008      1.032987
  N      -3.954506     -0.680685      0.799260
  C      -4.096887     -1.782142      1.600648
  C      -5.187357     -2.639145      1.384537
  C      -5.357949     -3.762052      2.168151
  C      -4.455692     -4.059574      3.203051
  C      -3.391366     -3.232721      3.442774
  C      -3.171478     -2.082032      2.640209
  C      -3.090590     -0.109125      7.842431
  C      -4.238450      0.185050      8.734446
  C      -5.561274      0.192462      8.452859
  C      -6.224991     -0.194050      7.214005
  N      -5.637867     -1.065425      6.374544
  C      -6.293126     -1.393882      5.231846
  N      -7.492354     -1.002288      4.852925
  C      -8.119113     -0.117767      5.691632
  C      -9.396410      0.363949      5.330044
  C     -10.032261      1.286742      6.129005
  C      -9.414803      1.764013      7.314009
  C      -8.175697      1.309385      7.691053
  C      -7.505185      0.350319      6.900605
  H      -4.890889      4.940567      7.602677
  H      -4.769291      3.248351      8.135049
  H      -5.097089      2.656945      5.531755
  H      -7.032491      4.893174      6.352910
  H      -7.022303      1.378902      2.220774
  H     -11.193265      3.234788      2.084829
  H     -12.424016      4.858450      3.507609
  H     -11.312085      5.896537      5.482454
  H      -9.002461      5.340461      6.054545
  H       0.785560      1.262791      3.626954
  H      -0.975716      1.345757      3.382368
  H       0.359958     -0.761867      5.238261
  H      -1.052169     -2.360475      4.289831
  H      -2.765748      0.940440      0.390177
  H      -5.873294     -2.379192      0.586508
  H      -6.195502     -4.418449      1.996601
  H      -4.605856     -4.942995      3.825808
  H      -2.719245     -3.468783      4.261532
  H      -2.513193     -0.944986      8.248069
  H      -3.448823     -0.410602      6.859727
  H      -3.954715      0.543001      9.723874
  H      -6.221800      0.569143      9.227411
  H      -5.762974     -2.078189      4.554812
  H      -9.837936      0.006876      4.392857
  H     -11.007002      1.674206      5.834252
  H      -9.918682      2.510145      7.923477
  H      -7.701413      1.709135      8.594497
  N      -1.971061      3.837555      4.324673
  H      -1.197551      4.498633      4.260982
  H      -2.828576      4.378910      4.415702
  H      -2.012276      3.341779      3.431504
  N      -3.274353      1.304930      5.009589
  N      -3.906074      0.665586      4.286148
95
Coordinates from ORCA-job orca E -6310.856844328538
  N      -3.172848      3.925515      6.898781
  Mo     -2.101324      2.299869      6.206060
  N      -2.237942      1.074815      7.750201
  C      -1.311579      1.252321      8.860231
  C      -0.944281      2.724393      8.974738
  N      -0.645705      3.272409      7.618574
  C      -0.940428      4.722640      7.526493
  C      -2.447257      4.939389      7.643390
  C       0.745734      2.938131      7.206162
  C       0.787796      2.643008      5.715885
  N      -0.311564      1.756942      5.390896
  H      -2.687994      5.966881      7.298577
  H      -2.737475      4.921821      8.716227
  H      -0.577230      5.063812      6.546553
  H      -0.397215      5.293614      8.306165
  H       1.764296      2.182140      5.476097
  H       0.753314      3.595184      5.136524
  H       1.033941      2.026076      7.747875
  H       1.437420      3.748199      7.498424
  H      -1.739134      0.922668      9.824088
  H      -0.405190      0.630505      8.698234
  H      -1.806829      3.271857      9.373013
  H      -0.086679      2.889640      9.652035
  C      -4.589445      3.919300      7.255641
  C      -5.458946      3.482722      6.126044
  C      -6.635061      4.046759      5.783966
  C      -7.442587      3.539541      4.669161
  N      -6.886119      2.601358      3.886511
  C      -7.620914      2.102604      2.872481
  N      -8.856101      2.443461      2.529003
  C      -9.455039      3.404594      3.304736
  C     -10.785539      3.793402      3.006692
  C     -11.430658      4.727097      3.786867
  C     -10.773981      5.314625      4.891203
  C      -9.476951      4.964255      5.199379
  C      -8.784399      4.003342      4.418135
  C      -0.167713      1.017365      4.152186
  C      -0.253977     -0.449684      4.412386
  C      -1.051903     -1.376719      3.841842
  C      -2.035821     -1.171717      2.787017
  N      -1.929743     -0.119937      1.972887
  C      -2.918037      0.076782      1.061769
  N      -3.992940     -0.659753      0.842280
  C      -4.113433     -1.765853      1.632688
  C      -5.257200     -2.600811      1.457070
  C      -5.414186     -3.720200      2.238399
  C      -4.435706     -4.039806      3.224473
  C      -3.322435     -3.233110      3.426380
  C      -3.133126     -2.082564      2.637587
  C      -3.078593     -0.124498      7.856736
  C      -4.239062      0.154569      8.762041
  C      -5.556379      0.158835      8.466034
  C      -6.190360     -0.219998      7.208660
  N      -5.571075     -1.060743      6.399702
  C      -6.199027     -1.388491      5.246281
  N      -7.396976     -1.036778      4.830586
  C      -8.058598     -0.176881      5.634997
  C      -9.342537      0.268276      5.236059
  C     -10.016605      1.188537      5.992645
  C      -9.435145      1.704682      7.169692
  C      -8.190749      1.273073      7.588988
  C      -7.479237      0.309577      6.846108
  H      -4.898019      4.927436      7.574481
  H      -4.770757      3.254686      8.127544
  H      -5.116971      2.633235      5.532926
  H      -7.022329      4.893739      6.354299
  H      -7.126845      1.313042      2.274504
  H     -11.271956      3.320100      2.154294
  H     -12.455031      5.012543      3.557233
  H     -11.299010      6.045682      5.502516
  H      -8.990496      5.416252      6.060914
  H       0.806884      1.239902      3.703311
  H      -0.904148      1.284710      3.404440
  H       0.370515     -0.778229      5.243296
  H      -1.004097     -2.387519      4.255106
  H      -2.801622      0.962349      0.431423
  H      -6.003141     -2.321624      0.696830
  H      -6.305409     -4.356950      2.107686
  H      -4.575518     -4.919040      3.844349
  H      -2.604370     -3.477808      4.216384
  H      -2.487832     -0.970847      8.257176
  H      -3.434136     -0.421600      6.869306
  H      -3.969910      0.502503      9.764321
  H      -6.232094      0.523291      9.239542
  H      -5.645585     -2.037697      4.593996
  H      -9.755585     -0.112592      4.303613
  H     -10.996164      1.550307      5.667289
  H      -9.970130      2.459595      7.741498
  H      -7.747117      1.700528      8.485392
  N      -1.967146      3.815226      4.317271
  H      -1.192763      4.482011      4.249338
  H      -2.832237      4.355692      4.408100
  H      -2.009423      3.312390      3.426356
  N      -3.270998      1.291307      5.026006
  N      -3.888677      0.652892      4.309630
95
Coordinates from ORCA-job orca E -6310.858265180699
  N      -3.180656      3.915648      6.918030
  Mo     -2.101799      2.306442      6.204658
  N      -2.229151      1.060387      7.734895
  C      -1.300560      1.230668      8.844873
  C      -0.941359      2.703254      8.976775
  N      -0.649532      3.269603      7.628075
  C      -0.952558      4.719142      7.555367
  C      -2.460791      4.924555      7.679123
  C       0.744687      2.950272      7.206363
  C       0.785408      2.676005      5.711578
  N      -0.311348      1.786345      5.378515
  H      -2.707599      5.957743      7.350195
  H      -2.751997      4.887954      8.753554
  H      -0.591582      5.074560      6.579959
  H      -0.411144      5.282925      8.340091
  H       1.765225      2.226957      5.461310
  H       0.743616      3.636188      5.147498
  H       1.038789      2.032626      7.732925
  H       1.432951      3.761098      7.509371
  H      -1.725523      0.887564      9.806059
  H      -0.387910      0.615805      8.673283
  H      -1.806088      3.240670      9.386669
  H      -0.080792      2.865217      9.651406
  C      -4.601327      3.896625      7.280353
  C      -5.460989      3.464893      6.138739
  C      -6.638933      4.009693      5.792330
  C      -7.426638      3.504636      4.663174
  N      -6.856274      2.609381      3.865766
  C      -7.580089      2.135090      2.830625
  N      -8.816789      2.467136      2.480308
  C      -9.428935      3.388003      3.272521
  C     -10.763745      3.791554      2.963914
  C     -11.419179      4.720868      3.749874
  C     -10.770896      5.278463      4.873455
  C      -9.470210      4.900028      5.196047
  C      -8.767959      3.955402      4.405800
  C      -0.182807      1.054383      4.111681
  C      -0.251972     -0.424787      4.390107
  C      -1.060676     -1.362229      3.840304
  C      -2.054935     -1.178540      2.783795
  N      -1.944904     -0.135411      1.951216
  C      -2.931491      0.042056      1.033985
  N      -3.995311     -0.710478      0.817076
  C      -4.115224     -1.810130      1.622422
  C      -5.224286     -2.670212      1.433020
  C      -5.381908     -3.786136      2.227595
  C      -4.442072     -4.077116      3.244491
  C      -3.354787     -3.248388      3.454846
  C      -3.155183     -2.102540      2.645904
  C      -3.066858     -0.146982      7.832868
  C      -4.221776      0.134379      8.763258
  C      -5.543807      0.167187      8.479362
  C      -6.196053     -0.176443      7.213718
  N      -5.577353     -1.043000      6.400038
  C      -6.201618     -1.370693      5.248151
  N      -7.403585     -0.995901      4.841777
  C      -8.069087     -0.105972      5.651651
  C      -9.355364      0.341446      5.270549
  C     -10.034239      1.259855      6.045881
  C      -9.454251      1.770277      7.223114
  C      -8.206405      1.343964      7.622551
  C      -7.489819      0.379539      6.861596
  H      -4.920453      4.905798      7.618972
  H      -4.779204      3.211026      8.148350
  H      -5.104908      2.626544      5.539486
  H      -7.041954      4.845136      6.367442
  H      -7.074939      1.398344      2.213101
  H     -11.242288      3.347027      2.093293
  H     -12.447778      5.033935      3.505206
  H     -11.301945      6.016199      5.487276
  H      -8.988708      5.336030      6.069229
  H       0.796285      1.275533      3.616226
  H      -0.962388      1.343649      3.374111
  H       0.388390     -0.748566      5.220531
  H      -1.008537     -2.363467      4.275010
  H      -2.816798      0.921068      0.389281
  H      -5.939226     -2.414881      0.648317
  H      -6.241665     -4.443129      2.082463
  H      -4.586048     -4.954183      3.878516
  H      -2.659128     -3.476286      4.262920
  H      -2.464951     -1.010598      8.217935
  H      -3.432092     -0.428939      6.836361
  H      -3.937421      0.462655      9.776279
  H      -6.206768      0.529289      9.273138
  H      -5.638028     -2.056980      4.594377
  H      -9.767046     -0.048112      4.344554
  H     -11.013902      1.605411      5.741284
  H      -9.992672      2.508207      7.817070
  H      -7.764926      1.757725      8.523563
  N      -1.983128      3.839447      4.326385
  H      -1.210832      4.510726      4.260034
  H      -2.850392      4.376060      4.424147
  H      -2.024774      3.343196      3.431914
  N      -3.265937      1.302221      5.011300
  N      -3.894982      0.662944      4.298394
95
Coordinates from ORCA-job orca E -6310.856165890144
  N      -3.161648      3.937243      6.902151
  Mo     -2.092522      2.323572      6.197208
  N      -2.238324      1.079394      7.728184
  C      -1.315974      1.243920      8.844371
  C      -0.946547      2.710220      8.977244
  N      -0.641784      3.269698      7.628344
  C      -0.931697      4.717957      7.550785
  C      -2.435403      4.939510      7.663394
  C       0.749228      2.934682      7.216775
  C       0.796886      2.656007      5.720378
  N      -0.306363      1.781130      5.385979
  H      -2.670148      5.970272      7.328524
  H      -2.731142      4.910177      8.735654
  H      -0.560687      5.066588      6.576344
  H      -0.393291      5.277178      8.338407
  H       1.773095      2.193104      5.477624
  H       0.768441      3.615043      5.149515
  H       1.029313      2.016207      7.748317
  H       1.442738      3.735481      7.521498
  H      -1.748312      0.906164      9.804626
  H      -0.407833      0.622621      8.678481
  H      -1.808856      3.254993      9.381101
  H      -0.091462      2.864866      9.657653
  C      -4.581401      3.931653      7.254208
  C      -5.440388      3.498800      6.113998
  C      -6.617136      4.037490      5.759256
  C      -7.398497      3.510175      4.638360
  N      -6.824105      2.593298      3.852639
  C      -7.543414      2.080707      2.829371
  N      -8.779909      2.383284      2.482638
  C      -9.396209      3.318516      3.267211
  C     -10.732903      3.670585      2.974013
  C     -11.394845      4.596331      3.761131
  C     -10.749321      5.205344      4.869288
  C      -9.447213      4.880650      5.175604
  C      -8.739884      3.934077      4.386612
  C      -0.187126      1.037509      4.139475
  C      -0.291364     -0.421155      4.420005
  C      -1.103805     -1.347002      3.860422
  C      -2.060998     -1.162876      2.785535
  N      -1.899887     -0.127915      1.942931
  C      -2.840947      0.052323      1.000742
  N      -3.895699     -0.690838      0.759233
  C      -4.064991     -1.783331      1.573279
  C      -5.155483     -2.638663      1.351422
  C      -5.359603     -3.750136      2.152416
  C      -4.491257     -4.038298      3.210892
  C      -3.422102     -3.215035      3.452795
  C      -3.167862     -2.075895      2.632398
  C      -3.080165     -0.119459      7.821848
  C      -4.236554      0.167959      8.731014
  C      -5.563977      0.174991      8.459137
  C      -6.231910     -0.198140      7.214817
  N      -5.640494     -1.036737      6.356765
  C      -6.300812     -1.354159      5.213198
  N      -7.512090     -0.979108      4.848084
  C      -8.147710     -0.118987      5.704411
  C      -9.448000      0.375087      5.354256
  C     -10.096522      1.308689      6.163397
  C      -9.469660      1.765925      7.352676
  C      -8.207684      1.284773      7.724036
  C      -7.525898      0.334728      6.916624
  H      -4.891954      4.939882      7.587365
  H      -4.767786      3.251263      8.119298
  H      -5.082264      2.655366      5.526689
  H      -7.026945      4.874812      6.326412
  H      -7.034294      1.321670      2.224451
  H     -11.209911      3.183970      2.116903
  H     -12.425498      4.863576      3.531621
  H     -11.286128      5.936027      5.484466
  H      -8.968115      5.350049      6.039945
  H       0.786740      1.240195      3.672517
  H      -0.940878      1.318141      3.392849
  H       0.328414     -0.742194      5.259851
  H      -1.080756     -2.335537      4.296294
  H      -2.688490      0.923685      0.350449
  H      -5.815155     -2.386242      0.536151
  H      -6.198543     -4.404374      1.977686
  H      -4.670412     -4.912374      3.849619
  H      -2.775292     -3.444149      4.289727
  H      -2.492105     -0.971409      8.221578
  H      -3.434551     -0.412944      6.829671
  H      -3.951900      0.515445      9.730163
  H      -6.225612      0.537313      9.252767
  H      -5.763288     -2.005155      4.520092
  H      -9.897692      0.028255      4.416281
  H     -11.090625      1.722092      5.870590
  H      -9.983935      2.520579      7.971457
  H      -7.726907      1.676530      8.627618
  N      -1.951999      3.854122      4.321833
  H      -1.175352      4.515071      4.259962
  H      -2.810578      4.397982      4.414779
  H      -1.993534      3.359936      3.426433
  N      -3.262436      1.324224      4.991105
  N      -3.898696      0.687563      4.265587
95
Coordinates from ORCA-job orca E -6310.857971609315
  N      -3.166682      3.923938      6.898453
  Mo     -2.092431      2.304468      6.204146
  N      -2.243625      1.072781      7.742001
  C      -1.326657      1.244726      8.862336
  C      -0.955907      2.711753      8.985264
  N      -0.647258      3.264749      7.633255
  C      -0.939721      4.712381      7.546666
  C      -2.444150      4.931687      7.654277
  C       0.746081      2.932171      7.227809
  C       0.798196      2.653934      5.733532
  N      -0.298916      1.771848      5.396028
  H      -2.680990      5.959550      7.313660
  H      -2.740742      4.908138      8.725420
  H      -0.569064      5.056034      6.570108
  H      -0.402875      5.277811      8.332023
  H       1.776725      2.197046      5.492256
  H       0.765941      3.612561      5.164360
  H       1.028253      2.015971      7.762079
  H       1.435634      3.736677      7.531954
  H      -1.763427      0.915914      9.823534
  H      -0.420858      0.619639      8.705981
  H      -1.818673      3.259805      9.382678
  H      -0.103558      2.870035      9.668407
  C      -4.586017      3.916400      7.249790
  C      -5.449714      3.485296      6.112067
  C      -6.625586      4.041834      5.764653
  C      -7.418888      3.531203      4.641776
  N      -6.850535      2.614029      3.848723
  C      -7.574599      2.117382      2.821298
  N      -8.809111      2.435458      2.476411
  C      -9.419666      3.370197      3.265827
  C     -10.752061      3.724310      2.974340
  C     -11.410894      4.624162      3.772602
  C     -10.764588      5.213870      4.887930
  C      -9.466368      4.898199      5.189384
  C      -8.761102      3.968688      4.392229
  C      -0.162416      1.043313      4.134985
  C      -0.240076     -0.435287      4.397751
  C      -1.042929     -1.365271      3.832479
  C      -2.024959     -1.170188      2.772034
  N      -1.901551     -0.125495      1.944314
  C      -2.878900      0.062696      1.024939
  N      -3.955761     -0.674721      0.807088
  C      -4.095574     -1.774020      1.611228
  C      -5.243634     -2.609359      1.437566
  C      -5.418882     -3.725575      2.229824
  C      -4.456784     -4.041488      3.225430
  C      -3.340852     -3.233427      3.427228
  C      -3.130628     -2.084410      2.626649
  C      -3.089391     -0.115924      7.843495
  C      -4.243765      0.181677      8.723068
  C      -5.562893      0.190312      8.433277
  C      -6.221789     -0.194578      7.191995
  N      -5.627800     -1.061389      6.352933
  C      -6.281920     -1.382822      5.207629
  N      -7.487615     -0.991534      4.827250
  C      -8.121527     -0.117157      5.667625
  C      -9.405008      0.348270      5.311900
  C     -10.048990      1.261436      6.112773
  C      -9.434531      1.749502      7.292460
  C      -8.189673      1.308070      7.665082
  C      -7.509440      0.351391      6.875972
  H      -4.897008      4.924500      7.579780
  H      -4.770570      3.239742      8.116471
  H      -5.100139      2.637706      5.518987
  H      -7.023689      4.883145      6.338360
  H      -7.070539      1.351451      2.212430
  H     -11.229996      3.249811      2.112862
  H     -12.437498      4.882001      3.549162
  H     -11.300309      5.916786      5.512880
  H      -8.988077      5.348690      6.060603
  H       0.816135      1.268662      3.663995
  H      -0.918382      1.328271      3.391100
  H       0.396413     -0.770212      5.227777
  H      -0.994253     -2.374466      4.255865
  H      -2.750616      0.940853      0.383010
  H      -5.976369     -2.334479      0.668962
  H      -6.310901     -4.362467      2.098103
  H      -4.609398     -4.919718      3.852858
  H      -2.634558     -3.477533      4.223771
  H      -2.516082     -0.948490      8.256922
  H      -3.439200     -0.424869      6.862623
  H      -3.967960      0.542598      9.712361
  H      -6.225167      0.569665      9.202923
  H      -5.745814     -2.054110      4.528536
  H      -9.844235     -0.016961      4.378756
  H     -11.028826      1.635945      5.822854
  H      -9.945695      2.494244      7.901843
  H      -7.719122      1.713142      8.565713
  N      -1.952815      3.825307      4.319452
  H      -1.176980      4.486280      4.255435
  H      -2.811961      4.368331      4.408979
  H      -1.994052      3.326250      3.426742
  N      -3.254793      1.295972      5.003972
  N      -3.883015      0.659840      4.276580
95
Coordinates from ORCA-job orca E -6310.856705894412
  N      -3.172485      3.924597      6.910610
  Mo     -2.108486      2.304586      6.205298
  N      -2.237456      1.071864      7.745296
  C      -1.304888      1.242184      8.847864
  C      -0.934914      2.713402      8.965901
  N      -0.644284      3.268244      7.611765
  C      -0.936646      4.718875      7.526485
  C      -2.442199      4.935667      7.654833
  C       0.743883      2.935385      7.188027
  C       0.776817      2.648504      5.697866
  N      -0.325704      1.764688      5.377096
  H      -2.683602      5.966466      7.314943
  H      -2.727080      4.913132      8.729868
  H      -0.577966      5.064265      6.546569
  H      -0.388034      5.284936      8.303617
  H       1.750007      2.188576      5.449769
  H       0.740708      3.603595      5.124415
  H       1.032868      2.019657      7.722243
  H       1.439094      3.742978      7.480373
  H      -1.727227      0.907105      9.812060
  H      -0.400245      0.621472      8.676807
  H      -1.793135      3.259084      9.373020
  H      -0.072093      2.874354      9.635767
  C      -4.589273      3.916400      7.279392
  C      -5.462195      3.483381      6.148036
  C      -6.637907      4.044263      5.807080
  C      -7.440136      3.538427      4.689761
  N      -6.877378      2.623948      3.902174
  C      -7.607448      2.136113      2.882629
  N      -8.844768      2.469743      2.539299
  C      -9.449924      3.410158      3.319855
  C     -10.783749      3.807718      3.016981
  C     -11.433423      4.744268      3.793543
  C     -10.779702      5.319271      4.901115
  C      -9.479759      4.951880      5.217134
  C      -8.782710      3.995381      4.437041
  C      -0.191422      1.020696      4.134510
  C      -0.272677     -0.445216      4.414509
  C      -1.077655     -1.376632      3.858615
  C      -2.061915     -1.181358      2.800602
  N      -1.951398     -0.134478      1.978546
  C      -2.931247      0.052826      1.058192
  N      -3.988337     -0.693956      0.828202
  C      -4.106120     -1.796467      1.622890
  C      -5.200592     -2.651939      1.415867
  C      -5.349973     -3.770322      2.197430
  C      -4.418391     -4.066875      3.220287
  C      -3.347718     -3.242941      3.448413
  C      -3.154287     -2.097084      2.650582
  C      -3.079037     -0.129509      7.851404
  C      -4.238097      0.151270      8.786079
  C      -5.558863      0.176426      8.493874
  C      -6.196168     -0.181037      7.223141
  N      -5.563705     -1.043578      6.434677
  C      -6.173578     -1.381548      5.277917
  N      -7.370927     -1.025098      4.844115
  C      -8.049189     -0.142846      5.627178
  C      -9.327736      0.274951      5.218169
  C     -10.018440      1.184605      5.963542
  C      -9.459852      1.728022      7.134083
  C      -8.219898      1.332151      7.560254
  C      -7.488958      0.362197      6.836677
  H      -4.899760      4.927343      7.607898
  H      -4.764564      3.243183      8.152545
  H      -5.120740      2.635665      5.551587
  H      -7.026291      4.889244      6.377118
  H      -7.107497      1.376728      2.275841
  H     -11.267284      3.348070      2.160173
  H     -12.460786      5.046453      3.555389
  H     -11.307230      6.059578      5.508208
  H      -8.994590      5.399128      6.079012
  H       0.786149      1.238190      3.663057
  H      -0.949288      1.292597      3.390082
  H       0.357704     -0.765982      5.246740
  H      -1.031708     -2.380969      4.284870
  H      -2.812877      0.934630      0.421732
  H      -5.909856     -2.391259      0.627690
  H      -6.195629     -4.425017      2.037367
  H      -4.554480     -4.945587      3.842343
  H      -2.655232     -3.474839      4.258945
  H      -2.476750     -0.997251      8.239416
  H      -3.443716     -0.409665      6.852209
  H      -3.959313      0.485428      9.800852
  H      -6.230698      0.541822      9.280779
  H      -5.601934     -2.066162      4.646258
  H      -9.722595     -0.132601      4.293974
  H     -10.990686      1.503680      5.639431
  H     -10.008636      2.468374      7.699229
  H      -7.795087      1.771434      8.455125
  N      -1.987322      3.828114      4.320698
  H      -1.209920      4.492221      4.244232
  H      -2.849643      4.372404      4.422054
  H      -2.040918      3.326896      3.429982
  N      -3.284777      1.302325      5.026852
  N      -3.903017      0.663557      4.314929
95
Coordinates from ORCA-job orca E -6310.857705955872
  N      -3.177077      3.917603      6.918931
  Mo     -2.098096      2.311801      6.203748
  N      -2.229627      1.064035      7.731502
  C      -1.303918      1.232529      8.844069
  C      -0.943280      2.703776      8.978535
  N      -0.647654      3.269958      7.630859
  C      -0.948860      4.718624      7.559158
  C      -2.456847      4.926165      7.680533
  C       0.746502      2.949539      7.210948
  C       0.789642      2.680255      5.714864
  N      -0.307747      1.793753      5.378032
  H      -2.701497      5.958831      7.350095
  H      -2.749986      4.890642      8.754536
  H      -0.585345      5.073637      6.584805
  H      -0.409178      5.280690      8.345171
  H       1.769471      2.231205      5.463979
  H       0.749466      3.642070      5.153613
  H       1.037711      2.030279      7.735032
  H       1.435623      3.757488      7.517747
  H      -1.731793      0.889494      9.804122
  H      -0.391666      0.616883      8.673707
  H      -1.808352      3.241996      9.387300
  H      -0.084526      2.863734      9.655173
  C      -4.598118      3.899086      7.280073
  C      -5.457113      3.469702      6.136812
  C      -6.633958      4.016403      5.789244
  C      -7.421559      3.510914      4.660267
  N      -6.851011      2.608329      3.864904
  C      -7.573813      2.127075      2.831159
  N      -8.810037      2.454567      2.481557
  C      -9.422773      3.380235      3.273422
  C     -10.758578      3.772407      2.970002
  C     -11.415346      4.703886      3.757568
  C     -10.766743      5.275657      4.877087
  C      -9.465246      4.908207      5.194816
  C      -8.762477      3.959658      4.403990
  C      -0.182152      1.064405      4.106144
  C      -0.246702     -0.417844      4.385909
  C      -1.054870     -1.356369      3.839043
  C      -2.048329     -1.176763      2.781482
  N      -1.931137     -0.136867      1.944019
  C      -2.913033      0.037223      1.023907
  N      -3.979848     -0.713732      0.809471
  C      -4.110870     -1.808320      1.622736
  C      -5.233922     -2.661759      1.444405
  C      -5.409788     -3.770481      2.251758
  C      -4.472323     -4.062278      3.268464
  C      -3.369061     -3.241003      3.466544
  C      -3.154206     -2.099835      2.647621
  C      -3.067981     -0.141826      7.824973
  C      -4.226072      0.140163      8.747547
  C      -5.550102      0.156339      8.467493
  C      -6.200773     -0.204364      7.210331
  N      -5.587699     -1.039969      6.383233
  C      -6.216594     -1.371119      5.234824
  N      -7.412526     -1.024979      4.840951
  C      -8.072183     -0.155191      5.659955
  C      -9.358851      0.320211      5.270353
  C     -10.032352      1.269433      6.035238
  C      -9.446924      1.761667      7.220080
  C      -8.198657      1.294505      7.633025
  C      -7.489602      0.327018      6.870627
  H      -4.916121      4.908032      7.621473
  H      -4.777962      3.209675      8.145946
  H      -5.100918      2.629719      5.540031
  H      -7.035676      4.853363      6.363607
  H      -7.068133      1.383849      2.214963
  H     -11.237510      3.316422      2.102904
  H     -12.444865      5.006343      3.517743
  H     -11.298782      6.014947      5.492002
  H      -8.983472      5.353558      6.065554
  H       0.797733      1.288010      3.604611
  H      -0.968230      1.356983      3.370002
  H       0.397116     -0.741017      5.215795
  H      -1.002277     -2.355939      4.277155
  H      -2.791945      0.912473      0.374033
  H      -5.947274     -2.406322      0.660203
  H      -6.283973     -4.420429      2.117784
  H      -4.631779     -4.934130      3.913209
  H      -2.677036     -3.469176      4.275709
  H      -2.470829     -1.002833      8.215992
  H      -3.426674     -0.427830      6.828362
  H      -3.943468      0.478326      9.755047
  H      -6.217388      0.515140      9.259188
  H      -5.661961     -2.023260      4.568646
  H      -9.775188     -0.052241      4.337095
  H     -11.013368      1.663585      5.712573
  H      -9.980492      2.527350      7.803942
  H      -7.751621      1.708580      8.533198
  N      -1.981440      3.847296      4.328752
  H      -1.206877      4.514330      4.260142
  H      -2.845117      4.387283      4.430448
  H      -2.027861      3.352412      3.434191
  N      -3.260135      1.307877      5.004863
  N      -3.892704      0.672803      4.288246
95
Coordinates from ORCA-job orca E -6310.856526522904
  N      -3.163406      3.930349      6.886773
  Mo     -2.087210      2.309050      6.198333
  N      -2.242695      1.078219      7.739626
  C      -1.328726      1.254391      8.865600
  C      -0.959294      2.722609      8.986891
  N      -0.645659      3.269603      7.633535
  C      -0.937180      4.718897      7.540271
  C      -2.441979      4.940954      7.641053
  C       0.748673      2.930796      7.235119
  C       0.806172      2.643609      5.739600
  N      -0.294119      1.765994      5.399243
  H      -2.676606      5.967109      7.295069
  H      -2.741841      4.922743      8.711299
  H      -0.562271      5.058724      6.563507
  H      -0.402678      5.288043      8.327302
  H       1.785317      2.179545      5.505819
  H       0.780287      3.600408      5.163504
  H       1.026228      2.015086      7.775255
  H       1.439711      3.734201      7.540007
  H      -1.768986      0.928390      9.826603
  H      -0.419381      0.628592      8.715156
  H      -1.824532      3.273396      9.378824
  H      -0.108423      2.883233      9.674505
  C      -4.582547      3.921302      7.235564
  C      -5.442703      3.482560      6.101130
  C      -6.618634      4.027096      5.748917
  C      -7.410107      3.505902      4.630585
  N      -6.845723      2.589471      3.833974
  C      -7.575248      2.093392      2.807251
  N      -8.811604      2.414935      2.465855
  C      -9.418516      3.346944      3.261973
  C     -10.754775      3.708646      2.977471
  C     -11.408796      4.610013      3.783471
  C     -10.754073      5.192018      4.899993
  C      -9.451950      4.867337      5.194507
  C      -8.752377      3.939762      4.388541
  C      -0.160348      1.028580      4.152287
  C      -0.257436     -0.434784      4.414999
  C      -1.061771     -1.362155      3.843568
  C      -2.026027     -1.170958      2.772480
  N      -1.880373     -0.131445      1.936975
  C      -2.836892      0.054164      1.003168
  N      -3.905187     -0.684146      0.772006
  C      -4.062435     -1.779709      1.581192
  C      -5.183117     -2.623713      1.380355
  C      -5.371088     -3.738504      2.174250
  C      -4.454081     -4.042390      3.202146
  C      -3.362826     -3.227234      3.428330
  C      -3.131931     -2.082912      2.620128
  C      -3.088891     -0.113278      7.841107
  C      -4.245889      0.192430      8.711778
  C      -5.565150      0.203224      8.423228
  C      -6.233605     -0.181783      7.185838
  N      -5.645817     -1.057198      6.330622
  C      -6.314054     -1.373238      5.188313
  N      -7.535079     -0.959070      4.824492
  C      -8.164207     -0.080527      5.685133
  C      -9.464935      0.400271      5.354214
  C     -10.102612      1.300616      6.185970
  C      -9.463837      1.757210      7.371664
  C      -8.202581      1.307156      7.716853
  C      -7.530651      0.368886      6.895169
  H      -4.895365      4.926277      7.561043
  H      -4.765971      3.248907      8.101173
  H      -5.088552      2.635650      5.515684
  H      -7.021252      4.868690      6.317520
  H      -7.074659      1.328873      2.195059
  H     -11.239261      3.239867      2.114554
  H     -12.439246      4.876503      3.564514
  H     -11.285239      5.896844      5.531274
  H      -8.966433      5.313653      6.066140
  H       0.810394      1.242616      3.700939
  H      -0.898689      1.303351      3.404278
  H       0.362688     -0.762469      5.251744
  H      -1.029004     -2.360694      4.268268
  H      -2.694087      0.928429      0.357263
  H      -5.880246     -2.358531      0.587186
  H      -6.235730     -4.383488      2.017297
  H      -4.616666     -4.919279      3.831553
  H      -2.684620     -3.465048      4.245376
  H      -2.518910     -0.942877      8.263371
  H      -3.433431     -0.429047      6.862244
  H      -3.970170      0.558704      9.698321
  H      -6.222941      0.587788      9.194440
  H      -5.778397     -2.050027      4.494834
  H      -9.922763      0.048751      4.419858
  H     -11.096567      1.681453      5.918143
  H      -9.968680      2.478682      8.010153
  H      -7.713042      1.688456      8.623011
  N      -1.939000      3.829512      4.313500
  H      -1.160383      4.487813      4.249181
  H      -2.796371      4.375909      4.401868
  H      -1.981825      3.329273      3.420394
  N      -3.250716      1.306287      4.991517
  N      -3.884991      0.670914      4.260810
95
Coordinates from ORCA-job orca E -6310.859660364930
  N      -3.164795      3.926891      6.903242
  Mo     -2.097875      2.309489      6.202123
  N      -2.245187      1.074819      7.737963
  C      -1.322065      1.239777      8.849488
  C      -0.947970      2.705882      8.974860
  N      -0.644594      3.263014      7.624297
  C      -0.933258      4.710982      7.541371
  C      -2.437084      4.932871      7.656608
  C       0.745625      2.928596      7.211080
  C       0.790720      2.651745      5.718215
  N      -0.310314      1.772894      5.385530
  H      -2.672129      5.962805      7.317314
  H      -2.730203      4.908770      8.729240
  H      -0.564749      5.056276      6.565093
  H      -0.392009      5.272704      8.324300
  H       1.765664      2.192376      5.473286
  H       0.759900      3.610412      5.150175
  H       1.026852      2.010618      7.742173
  H       1.439307      3.730805      7.513049
  H      -1.753404      0.905164      9.810538
  H      -0.418997      0.616429      8.683617
  H      -1.806760      3.252816      9.378600
  H      -0.091694      2.860357      9.651411
  C      -4.582822      3.920263      7.262354
  C      -5.451120      3.492335      6.124968
  C      -6.625385      4.052369      5.778332
  C      -7.419974      3.542078      4.657338
  N      -6.851512      2.625759      3.868392
  C      -7.575665      2.122574      2.847379
  N      -8.811980      2.432984      2.506331
  C      -9.422715      3.370018      3.290650
  C     -10.756636      3.725338      2.999405
  C     -11.414410      4.643371      3.786287
  C     -10.766257      5.246352      4.891136
  C      -9.466631      4.923603      5.194625
  C      -8.762469      3.979130      4.407425
  C      -0.178092      1.039062      4.130244
  C      -0.254866     -0.433656      4.403321
  C      -1.059134     -1.364871      3.844397
  C      -2.037180     -1.173287      2.782052
  N      -1.910026     -0.131863      1.950587
  C      -2.879250      0.051568      1.024730
  N      -3.943664     -0.690620      0.798887
  C      -4.084026     -1.786392      1.606374
  C      -5.203025     -2.631849      1.414621
  C      -5.378454     -3.743510      2.211258
  C      -4.447557     -4.043946      3.231458
  C      -3.354517     -3.229021      3.446018
  C      -3.138886     -2.087132      2.636562
  C      -3.087960     -0.121379      7.835139
  C      -4.246295      0.161740      8.749679
  C      -5.569132      0.178063      8.464680
  C      -6.223988     -0.186967      7.207888
  N      -5.617365     -1.042717      6.380032
  C      -6.259612     -1.366923      5.229953
  N      -7.464804     -0.997194      4.836283
  C      -8.112955     -0.127778      5.661947
  C      -9.397328      0.316552      5.291777
  C     -10.057753      1.236650      6.072600
  C      -9.460021      1.754460      7.244769
  C      -8.213698      1.326487      7.634663
  C      -7.515792      0.356699      6.869581
  H      -4.892235      4.929625      7.596541
  H      -4.763702      3.240519      8.129733
  H      -5.106281      2.643629      5.530809
  H      -7.019566      4.895628      6.349618
  H      -7.070735      1.360455      2.240664
  H     -11.235919      3.243257      2.145163
  H     -12.442164      4.907053      3.560634
  H     -11.300728      5.968929      5.505982
  H      -8.986465      5.386647      6.057004
  H       0.799462      1.262216      3.652793
  H      -0.941418      1.319581      3.388326
  H       0.380098     -0.760552      5.235107
  H      -1.013573     -2.369346      4.271862
  H      -2.748629      0.927237      0.380018
  H      -5.911667     -2.368824      0.627793
  H      -6.245160     -4.388846      2.064034
  H      -4.602285     -4.917886      3.864181
  H      -2.666103     -3.463364      4.257335
  H      -2.498764     -0.977080      8.230792
  H      -3.444252     -0.409159      6.840849
  H      -3.967596      0.502206      9.755757
  H      -6.235248      0.542622      9.252645
  H      -5.712246     -2.034556      4.562836
  H      -9.823620     -0.066560      4.362694
  H     -11.037671      1.594078      5.771341
  H      -9.985030      2.512714      7.835204
  H      -7.757041      1.753126      8.529184
  N      -1.963338      3.835076      4.320973
  H      -1.183877      4.492422      4.250390
  H      -2.819753      4.382597      4.419186
  H      -2.014808      3.337501      3.428481
  N      -3.266823      1.306921      5.005427
  N      -3.891483      0.671844      4.279849
95
Coordinates from ORCA-job orca E -6310.858066387323
  N      -3.177626      3.919014      6.909954
  Mo     -2.103448      2.305518      6.201228
  N      -2.231351      1.069145      7.740586
  C      -1.306359      1.250385      8.856024
  C      -0.944636      2.724780      8.973620
  N      -0.648758      3.275550      7.618484
  C      -0.947436      4.726308      7.531618
  C      -2.454933      4.936075      7.655392
  C       0.743625      2.947160      7.201013
  C       0.784031      2.663877      5.707088
  N      -0.315777      1.778277      5.375703
  H      -2.701654      5.965149      7.313850
  H      -2.742702      4.913181      8.729938
  H      -0.587720      5.072436      6.551944
  H      -0.403304      5.296284      8.311630
  H       1.762001      2.207923      5.460763
  H       0.746720      3.621412      5.136234
  H       1.034348      2.031053      7.734679
  H       1.434863      3.756847      7.500076
  H      -1.736022      0.920413      9.819854
  H      -0.393677      0.629514      8.697207
  H      -1.810235      3.270465      9.373342
  H      -0.085321      2.892490      9.652159
  C      -4.595987      3.899745      7.279213
  C      -5.462997      3.461203      6.147071
  C      -6.642307      4.010682      5.809321
  C      -7.446772      3.506120      4.692040
  N      -6.889369      2.608182      3.886005
  C      -7.625934      2.148999      2.853492
  N      -8.862673      2.503008      2.511629
  C      -9.462664      3.425243      3.313232
  C     -10.796634      3.855128      3.011697
  C     -11.439615      4.785402      3.806803
  C     -10.779394      5.317339      4.933117
  C      -9.479135      4.915101      5.248464
  C      -8.788836      3.971458      4.447751
  C      -0.180629      1.036699      4.125347
  C      -0.254317     -0.433969      4.406820
  C      -1.058620     -1.372050      3.854818
  C      -2.043146     -1.192355      2.792941
  N      -1.924950     -0.151454      1.959043
  C      -2.899223      0.022134      1.032332
  N      -3.960865     -0.730915      0.809828
  C      -4.092257     -1.826052      1.620656
  C      -5.205449     -2.682834      1.431418
  C      -5.377414     -3.792469      2.234386
  C      -4.445878     -4.081495      3.257715
  C      -3.353713     -3.256729      3.466882
  C      -3.142253     -2.115922      2.651646
  C      -3.075429     -0.129750      7.850330
  C      -4.236196      0.171614      8.744970
  C      -5.553854      0.184797      8.448446
  C      -6.189926     -0.196880      7.196198
  N      -5.560986     -1.053175      6.395273
  C      -6.170180     -1.397943      5.245215
  N      -7.365041     -1.041866      4.826347
  C      -8.041257     -0.155270      5.620330
  C      -9.323465      0.311354      5.208257
  C     -10.011489      1.232285      5.963369
  C      -9.445989      1.714909      7.157140
  C      -8.203129      1.273856      7.585009
  C      -7.478117      0.328580      6.835432
  H      -4.915395      4.908586      7.611114
  H      -4.766642      3.221511      8.151415
  H      -5.112520      2.617301      5.550897
  H      -7.033973      4.852255      6.384070
  H      -7.130885      1.409774      2.227799
  H     -11.284994      3.429314      2.139209
  H     -12.467390      5.118990      3.567350
  H     -11.300994      6.054370      5.554592
  H      -8.987945      5.333243      6.122905
  H       0.798041      1.258559      3.646057
  H      -0.948399      1.312704      3.382028
  H       0.377292     -0.749676      5.241301
  H      -1.012609     -2.369076      4.290241
  H      -2.774302      0.897758      0.383784
  H      -5.913886     -2.429202      0.641893
  H      -6.243742     -4.445575      2.091959
  H      -4.602368     -4.953585      3.898968
  H      -2.665789     -3.482190      4.280827
  H      -2.488018     -0.974182      8.264285
  H      -3.429213     -0.437961      6.864311
  H      -3.961712      0.531714      9.741024
  H      -6.224295      0.564870      9.214773
  H      -5.599176     -2.078442      4.602936
  H      -9.722879     -0.062826      4.272453
  H     -10.988033      1.601301      5.631433
  H      -9.990427      2.442956      7.738540
  H      -7.773480      1.676111      8.493507
  N      -1.989912      3.832749      4.317899
  H      -1.212677      4.497153      4.239609
  H      -2.852056      4.376779      4.421328
  H      -2.045469      3.331457      3.426968
  N      -3.268665      1.300064      5.013384
  N      -3.892615      0.661786      4.299668
95
Coordinates from ORCA-job orca E -6310.860108259408
  N      -3.167234      3.925070      6.896958
  Mo     -2.092956      2.306267      6.199728
  N      -2.241943      1.072778      7.738069
  C      -1.324177      1.246920      8.858656
  C      -0.954649      2.716637      8.980919
  N      -0.645577      3.266843      7.628335
  C      -0.937000      4.716799      7.539374
  C      -2.443227      4.936830      7.648693
  C       0.748162      2.930636      7.222282
  C       0.800295      2.648895      5.727811
  N      -0.301040      1.769601      5.387983
  H      -2.679236      5.965229      7.304316
  H      -2.739933      4.917406      8.720905
  H      -0.566155      5.058827      6.562490
  H      -0.398387      5.284139      8.324046
  H       1.778806      2.188398      5.488943
  H       0.772424      3.606599      5.156608
  H       1.028205      2.013552      7.757496
  H       1.441103      3.734674      7.527333
  H      -1.761251      0.917491      9.819547
  H      -0.415174      0.622691      8.702736
  H      -1.818790      3.265833      9.377116
  H      -0.100319      2.877311      9.663977
  C      -4.585267      3.913571      7.255642
  C      -5.451029      3.480699      6.120085
  C      -6.625857      4.036530      5.775349
  C      -7.429434      3.527681      4.659485
  N      -6.874530      2.611610      3.861227
  C      -7.614264      2.122295      2.842308
  N      -8.853349      2.450590      2.510600
  C      -9.450337      3.387947      3.306138
  C     -10.787543      3.770687      3.024502
  C     -11.430290      4.694295      3.822911
  C     -10.764476      5.273620      4.929992
  C      -9.460917      4.922838      5.223660
  C      -8.772179      3.976781      4.422986
  C      -0.168049      1.038653      4.126821
  C      -0.237091     -0.436444      4.396597
  C      -1.039893     -1.371941      3.838613
  C      -2.024475     -1.185051      2.778308
  N      -1.902668     -0.145938      1.942341
  C      -2.878152      0.031058      1.017186
  N      -3.942617     -0.716487      0.796540
  C      -4.077384     -1.808729      1.609454
  C      -5.193267     -2.659148      1.422349
  C      -5.361719     -3.767687      2.223456
  C      -4.427491     -4.059929      3.244762
  C      -3.337355     -3.239881      3.454843
  C      -3.126997     -2.101827      2.639479
  C      -3.088342     -0.122735      7.837504
  C      -4.249535      0.174592      8.736662
  C      -5.569546      0.192247      8.444430
  C      -6.220177     -0.180306      7.188891
  N      -5.604506     -1.034460      6.363819
  C      -6.239266     -1.366940      5.214286
  N      -7.446835     -1.004059      4.818613
  C      -8.107118     -0.129967      5.640564
  C      -9.399610      0.322896      5.264175
  C     -10.072688      1.243472      6.045057
  C      -9.480587      1.744753      7.226304
  C      -8.227085      1.311067      7.621394
  C      -7.516894      0.353371      6.851135
  H      -4.897786      4.921264      7.587957
  H      -4.763371      3.235486      8.123114
  H      -5.103740      2.633238      5.528546
  H      -7.016820      4.880835      6.347387
  H      -7.121834      1.363535      2.225409
  H     -11.280303      3.305766      2.168043
  H     -12.461125      4.981829      3.603450
  H     -11.286415      6.000682      5.554916
  H      -8.966378      5.370344      6.086740
  H       0.806147      1.264975      3.646464
  H      -0.935090      1.319381      3.387070
  H       0.400034     -0.760869      5.227167
  H      -0.989354     -2.375410      4.266026
  H      -2.753156      0.905338      0.368895
  H      -5.904198     -2.402477      0.634427
  H      -6.224686     -4.417416      2.079226
  H      -4.577543     -4.931425      3.881489
  H      -2.645949     -3.467649      4.266693
  H      -2.504640     -0.973285      8.245661
  H      -3.439853     -0.421683      6.845906
  H      -3.974735      0.524879      9.739823
  H      -6.236948      0.564817      9.225931
  H      -5.681935     -2.030748      4.547977
  H      -9.821309     -0.055084      4.331969
  H     -11.058043      1.604947      5.739854
  H     -10.014633      2.488816      7.822456
  H      -7.775738      1.724503      8.523211
  N      -1.955590      3.831059      4.316550
  H      -1.174299      4.488445      4.244631
  H      -2.812691      4.380293      4.415052
  H      -2.008461      3.331669      3.424102
  N      -3.256444      1.302834      5.001935
  N      -3.882830      0.666521      4.280034
95
Coordinates from ORCA-job orca E -6310.858981584279
  N      -3.167558      3.926333      6.912032
  Mo     -2.104747      2.317994      6.196278
  N      -2.244131      1.075157      7.725261
  C      -1.316041      1.233242      8.828394
  C      -0.940847      2.698130      8.960087
  N      -0.645338      3.266845      7.614082
  C      -0.935522      4.714077      7.541579
  C      -2.439836      4.932480      7.665310
  C       0.743534      2.939953      7.192688
  C       0.780541      2.672249      5.700877
  N      -0.318857      1.790614      5.371619
  H      -2.678976      5.964225      7.330326
  H      -2.729524      4.903389      8.739097
  H      -0.571003      5.066978      6.567386
  H      -0.391670      5.270280      8.323531
  H       1.753490      2.218263      5.447295
  H       0.742894      3.633532      5.140162
  H       1.029436      2.019448      7.715609
  H       1.436535      3.743052      7.494773
  H      -1.742202      0.891181      9.788360
  H      -0.416153      0.612838      8.652602
  H      -1.795731      3.239672      9.373561
  H      -0.081349      2.847425      9.628958
  C      -4.586999      3.914359      7.277282
  C      -5.455190      3.484966      6.139714
  C      -6.632507      4.040604      5.800026
  C      -7.427994      3.538250      4.675115
  N      -6.855250      2.637968      3.875716
  C      -7.576004      2.161630      2.839355
  N      -8.810378      2.489690      2.490780
  C      -9.426143      3.409527      3.285363
  C     -10.758888      3.782229      2.985367
  C     -11.422189      4.685312      3.781033
  C     -10.780485      5.253439      4.904580
  C      -9.482105      4.912100      5.217772
  C      -8.771932      3.983591      4.421730
  C      -0.177035      1.041133      4.135534
  C      -0.267908     -0.423753      4.423082
  C      -1.070204     -1.358457      3.867081
  C      -2.028230     -1.183368      2.791676
  N      -1.885089     -0.149928      1.948591
  C      -2.831115      0.017828      1.006931
  N      -3.889656     -0.729747      0.777003
  C      -4.050375     -1.815937      1.599857
  C      -5.175892     -2.661801      1.413499
  C      -5.381263     -3.760574      2.232751
  C      -4.470928     -4.049690      3.267499
  C      -3.367291     -3.236090      3.473893
  C      -3.126664     -2.103426      2.645554
  C      -3.087003     -0.118868      7.824528
  C      -4.245579      0.165121      8.734611
  C      -5.568954      0.174020      8.449549
  C      -6.222244     -0.205419      7.200041
  N      -5.619322     -1.064924      6.370906
  C      -6.263945     -1.393519      5.222778
  N      -7.467021     -1.017746      4.829865
  C      -8.109540     -0.145722      5.656931
  C      -9.389766      0.308384      5.285143
  C     -10.042625      1.229696      6.068070
  C      -9.440961      1.737234      7.245615
  C      -8.198561      1.302178      7.635464
  C      -7.509313      0.335500      6.865745
  H      -4.902280      4.925469      7.615219
  H      -4.764417      3.229113      8.146816
  H      -5.107372      2.639488      5.540902
  H      -7.027127      4.879319      6.377393
  H      -7.067820      1.407159      2.225154
  H     -11.233153      3.328121      2.116232
  H     -12.449023      4.965763      3.547233
  H     -11.319616      5.966264      5.525055
  H      -9.007086      5.349119      6.093642
  H       0.805084      1.257557      3.676092
  H      -0.925132      1.310646      3.384073
  H       0.354438     -0.739316      5.264609
  H      -1.038494     -2.352533      4.307644
  H      -2.686917      0.885523      0.351391
  H      -5.868956     -2.408109      0.615755
  H      -6.258492     -4.403558      2.093118
  H      -4.650603     -4.913844      3.919312
  H      -2.696616     -3.461618      4.297530
  H      -2.500511     -0.972259      8.223786
  H      -3.441591     -0.407987      6.830615
  H      -3.966340      0.515883      9.733466
  H      -6.235697      0.546079      9.228642
  H      -5.721383     -2.066621      4.555687
  H      -9.818735     -0.069912      4.353215
  H     -11.019686      1.597464      5.764719
  H      -9.959125      2.492028      7.839140
  H      -7.737141      1.722340      8.533700
  N      -1.985871      3.851722      4.324128
  H      -1.205466      4.506572      4.248081
  H      -2.839396      4.400865      4.431888
  H      -2.046482      3.358536      3.431428
  N      -3.265097      1.313240      4.991475
  N      -3.884888      0.678890      4.257862
95
Coordinates from ORCA-job orca E -6310.860213410601
  N      -3.167767      3.926090      6.901736
  Mo     -2.098869      2.308799      6.200600
  N      -2.244677      1.075436      7.738887
  C      -1.322893      1.246909      8.853958
  C      -0.950794      2.715634      8.975038
  N      -0.645854      3.267847      7.622493
  C      -0.936200      4.717310      7.534865
  C      -2.441349      4.937672      7.649579
  C       0.745387      2.932398      7.212146
  C       0.791260      2.653428      5.718894
  N      -0.309858      1.773971      5.384200
  H      -2.678691      5.966002      7.305247
  H      -2.733968      4.918460      8.722297
  H      -0.568409      5.060574      6.557326
  H      -0.394708      5.283050      8.317126
  H       1.767092      2.193915      5.475007
  H       0.760265      3.612028      5.149936
  H       1.026580      2.014434      7.745180
  H       1.439007      3.735716      7.514672
  H      -1.756162      0.916236      9.815721
  H      -0.416879      0.622609      8.693710
  H      -1.811895      3.264642      9.374558
  H      -0.094633      2.874178      9.654373
  C      -4.585687      3.915744      7.263461
  C      -5.454217      3.483501      6.129139
  C      -6.628812      4.043091      5.786105
  C      -7.430983      3.540261      4.666653
  N      -6.871130      2.633744      3.864846
  C      -7.605427      2.150680      2.840220
  N      -8.843242      2.474699      2.506863
  C      -9.445425      3.401351      3.305733
  C     -10.781440      3.776154      3.022608
  C     -11.429391      4.695786      3.820706
  C     -10.769617      5.277135      4.929894
  C      -9.467784      4.931036      5.226830
  C      -8.773800      3.987689      4.427193
  C      -0.173348      1.036535      4.131057
  C      -0.247626     -0.435131      4.406491
  C      -1.049728     -1.370529      3.848919
  C      -2.027267     -1.187143      2.783647
  N      -1.899907     -0.149636      1.946340
  C      -2.867995      0.024889      1.016082
  N      -3.931920     -0.722419      0.792568
  C      -4.073043     -1.813084      1.607386
  C      -5.190622     -2.662397      1.418852
  C      -5.366566     -3.769313      2.222564
  C      -4.437488     -4.061389      3.246949
  C      -3.345350     -3.242614      3.458216
  C      -3.128696     -2.105110      2.641514
  C      -3.089497     -0.121174      7.839855
  C      -4.251412      0.172458      8.739747
  C      -5.571517      0.185485      8.447127
  C      -6.218002     -0.192201      7.193715
  N      -5.602292     -1.048160      6.373101
  C      -6.234705     -1.382334      5.223588
  N      -7.439286     -1.017143      4.823331
  C      -8.098057     -0.142441      5.640853
  C      -9.385075      0.309336      5.259736
  C     -10.055373      1.229823      6.035357
  C      -9.465758      1.734156      7.216012
  C      -8.217377      1.301126      7.615668
  C      -7.510316      0.342070      6.851032
  H      -4.897842      4.924328      7.595315
  H      -4.763359      3.237856      8.132209
  H      -5.109087      2.634821      5.536220
  H      -7.018604      4.886372      6.360250
  H      -7.108328      1.399951      2.220377
  H     -11.269535      3.312023      2.163890
  H     -12.458954      4.979126      3.599272
  H     -11.295844      6.004240      5.552838
  H      -8.977930      5.379630      6.091593
  H       0.803333      1.260240      3.656826
  H      -0.935538      1.313283      3.387337
  H       0.385578     -0.756949      5.240311
  H      -1.004329     -2.371321      4.280538
  H      -2.737235      0.897127      0.365715
  H      -5.897661     -2.405979      0.628607
  H      -6.232497     -4.417488      2.078259
  H      -4.593471     -4.931811      3.885635
  H      -2.658363     -3.470550      4.272510
  H      -2.504743     -0.971085      8.247443
  H      -3.440704     -0.419533      6.848859
  H      -3.977089      0.525783      9.739845
  H      -6.240427      0.559905      9.223025
  H      -5.678081     -2.055761      4.563497
  H      -9.804528     -0.072084      4.328732
  H     -11.037048      1.593488      5.725236
  H      -9.997494      2.480695      7.806817
  H      -7.767091      1.718157      8.516153
  N      -1.967719      3.834221      4.318591
  H      -1.185223      4.488693      4.242299
  H      -2.822140      4.385586      4.420902
  H      -2.026553      3.335116      3.426974
  N      -3.261659      1.304754      5.001236
  N      -3.887234      0.669851      4.276082
95
Coordinates from ORCA-job orca E -6310.859962669217
  N      -3.178095      3.910579      6.889636
  Mo     -2.096897      2.296356      6.193728
  N      -2.246818      1.064375      7.733140
  C      -1.330951      1.241967      8.854289
  C      -0.965137      2.713264      8.975370
  N      -0.654567      3.263331      7.623169
  C      -0.950519      4.712587      7.532688
  C      -2.458731      4.927398      7.640278
  C       0.741405      2.930361      7.221232
  C       0.798315      2.645444      5.728092
  N      -0.300244      1.762603      5.385692
  H      -2.697794      5.955025      7.293918
  H      -2.756896      4.908533      8.712406
  H      -0.578891      5.055657      6.556754
  H      -0.414774      5.282176      8.317422
  H       1.778843      2.186504      5.493887
  H       0.770437      3.601845      5.154655
  H       1.022401      2.014766      7.758829
  H       1.431882      3.737183      7.526596
  H      -1.768686      0.912465      9.814719
  H      -0.420215      0.619817      8.700297
  H      -1.831593      3.260644      9.369363
  H      -0.112080      2.876950      9.659454
  C      -4.595576      3.882890      7.255809
  C      -5.461507      3.454898      6.117604
  C      -6.636357      4.013778      5.780398
  C      -7.445399      3.514782      4.664495
  N      -6.899336      2.587946      3.867331
  C      -7.643974      2.111273      2.846383
  N      -8.879035      2.464654      2.510839
  C      -9.467462      3.411577      3.306415
  C     -10.801047      3.817608      3.022120
  C     -11.436294      4.736728      3.825917
  C     -10.766074      5.290543      4.940316
  C      -9.465506      4.923268      5.234299
  C      -8.784483      3.981022      4.428490
  C      -0.161392      1.042052      4.120316
  C      -0.206036     -0.436013      4.380335
  C      -0.999071     -1.378114      3.819657
  C      -1.985566     -1.193461      2.762510
  N      -1.859655     -0.160292      1.919135
  C      -2.830359      0.009888      0.990153
  N      -3.892013     -0.739618      0.771632
  C      -4.033826     -1.822938      1.596224
  C      -5.153387     -2.671281      1.417621
  C      -5.334712     -3.767587      2.235935
  C      -4.408845     -4.049758      3.265758
  C      -3.313279     -3.232492      3.466011
  C      -3.090994     -2.106949      2.633188
  C      -3.095311     -0.127916      7.836942
  C      -4.252505      0.176787      8.738499
  C      -5.572935      0.202921      8.447652
  C      -6.228182     -0.163997      7.191097
  N      -5.615778     -1.015812      6.361149
  C      -6.256499     -1.347831      5.213914
  N      -7.466651     -0.989122      4.825586
  C      -8.123039     -0.116186      5.652153
  C      -9.417406      0.332432      5.284395
  C     -10.084885      1.255736      6.067845
  C      -9.485974      1.763706      7.243873
  C      -8.231240      1.332517      7.631585
  C      -7.526388      0.370985      6.858816
  H      -4.916910      4.886119      7.600495
  H      -4.764779      3.191784      8.117886
  H      -5.115391      2.611474      5.519128
  H      -7.022751      4.855603      6.358754
  H      -7.159861      1.338616      2.231981
  H     -11.297491      3.368718      2.161296
  H     -12.464691      5.038422      3.605935
  H     -11.282246      6.009441      5.570923
  H      -8.967872      5.351471      6.102810
  H       0.805482      1.288880      3.635346
  H      -0.937298      1.313777      3.388308
  H       0.438035     -0.756019      5.205822
  H      -0.937066     -2.384076      4.238450
  H      -2.701441      0.878518      0.334587
  H      -5.858846     -2.421759      0.624227
  H      -6.203449     -4.414412      2.100255
  H      -4.571154     -4.910410      3.918062
  H      -2.630475     -3.450263      4.286460
  H      -2.513924     -0.979260      8.245975
  H      -3.450509     -0.426637      6.846189
  H      -3.974466      0.524816      9.743016
  H      -6.237645      0.577342      9.232969
  H      -5.702785     -2.001989      4.541609
  H      -9.844753     -0.052779      4.357028
  H     -11.071120      1.613054      5.769565
  H     -10.015530      2.510501      7.841621
  H      -7.774190      1.750044      8.529802
  N      -1.957677      3.823407      4.314180
  H      -1.172719      4.476162      4.238246
  H      -2.810854      4.377316      4.420958
  H      -2.020060      3.327808      3.420535
  N      -3.248985      1.288729      4.989437
  N      -3.865589      0.651707      4.261034
95
Coordinates from ORCA-job orca E -6310.860272886317
  N      -3.171321      3.920458      6.893009
  Mo     -2.097706      2.303667      6.196297
  N      -2.248634      1.072763      7.736221
  C      -1.330889      1.245944      8.854438
  C      -0.959894      2.714318      8.975258
  N      -0.650801      3.264704      7.622898
  C      -0.941585      4.713467      7.532771
  C      -2.447239      4.933716      7.641861
  C       0.742135      2.928656      7.217702
  C       0.794750      2.647686      5.724418
  N      -0.305695      1.768508      5.384757
  H      -2.683048      5.961294      7.295135
  H      -2.743467      4.916342      8.714030
  H      -0.569957      5.055140      6.556214
  H      -0.403613      5.280168      8.316499
  H       1.772313      2.187316      5.485841
  H       0.767154      3.605453      5.153505
  H       1.020989      2.011524      7.752809
  H       1.434963      3.731918      7.522516
  H      -1.767277      0.916555      9.815383
  H      -0.424103      0.621785      8.697552
  H      -1.822168      3.263443      9.371947
  H      -0.105994      2.873522      9.656603
  C      -4.588509      3.903429      7.257081
  C      -5.457715      3.472976      6.122184
  C      -6.632271      4.033023      5.782680
  C      -7.439125      3.530007      4.667515
  N      -6.886618      2.617238      3.865671
  C      -7.626677      2.136006      2.844241
  N      -8.863625      2.469568      2.513213
  C      -9.458413      3.403289      3.312467
  C     -10.793279      3.791324      3.030873
  C     -11.434027      4.712644      3.831685
  C     -10.768056      5.283642      4.941683
  C      -9.466919      4.927599      5.235746
  C      -8.780200      3.983850      4.432571
  C      -0.168087      1.039396      4.125981
  C      -0.226734     -0.434281      4.395189
  C      -1.023430     -1.373780      3.836394
  C      -2.004493     -1.191501      2.773992
  N      -1.877935     -0.156856      1.933039
  C      -2.846369      0.013609      1.002117
  N      -3.908056     -0.736093      0.780533
  C      -4.049300     -1.822555      1.600982
  C      -5.167230     -2.672693      1.417287
  C      -5.344535     -3.774449      2.228255
  C      -4.416095     -4.060577      3.255114
  C      -3.323530     -3.240828      3.461535
  C      -3.106287     -2.108766      2.637491
  C      -3.095364     -0.122340      7.837415
  C      -4.256407      0.175398      8.737097
  C      -5.576779      0.193852      8.445263
  C      -6.226754     -0.178130      7.190707
  N      -5.612629     -1.030759      6.364173
  C      -6.248160     -1.360942      5.214652
  N      -7.454962     -0.997127      4.820319
  C      -8.112503     -0.125503      5.643919
  C      -9.402218      0.326661      5.268923
  C     -10.071114      1.244571      6.050437
  C      -9.477709      1.746067      7.230843
  C      -8.227156      1.313581      7.624382
  C      -7.521127      0.356126      6.854139
  H      -4.903861      4.909465      7.594402
  H      -4.761389      3.220645      8.122906
  H      -5.113645      2.625442      5.527391
  H      -7.019308      4.876576      6.358136
  H      -7.136115      1.378513      2.224756
  H     -11.286162      3.333558      2.171973
  H     -12.462995      5.005140      3.611861
  H     -11.288562      6.009888      5.567835
  H      -8.972387      5.368828      6.100888
  H       0.803723      1.275090      3.646185
  H      -0.937676      1.312917      3.387954
  H       0.412156     -0.754252      5.225387
  H      -0.969220     -2.376984      4.262520
  H      -2.716561      0.883341      0.348317
  H      -5.873801     -2.420714      0.625230
  H      -6.211257     -4.423000      2.088040
  H      -4.573499     -4.926560      3.899971
  H      -2.637784     -3.462893      4.278609
  H      -2.512554     -0.972939      8.245788
  H      -3.447053     -0.421095      6.846343
  H      -3.981238      0.526030      9.738845
  H      -6.243906      0.568135      9.224569
  H      -5.692332     -2.025380      4.547904
  H      -9.824964     -0.050913      4.337110
  H     -11.054558      1.607255      5.745655
  H     -10.008484      2.491706      7.826015
  H      -7.774468      1.727982      8.525053
  N      -1.960769      3.829170      4.314331
  H      -1.174962      4.478932      4.235290
  H      -2.811368      4.385045      4.420549
  H      -2.025956      3.331498      3.422463
  N      -3.257026      1.297943      4.995208
  N      -3.877132      0.661166      4.267966
95
Coordinates from ORCA-job orca E -6310.860246262462
  N      -3.162064      3.933689      6.904382
  Mo     -2.095492      2.315962      6.198919
  N      -2.242617      1.078972      7.734101
  C      -1.322377      1.247918      8.851509
  C      -0.949535      2.716451      8.976879
  N      -0.641905      3.269717      7.625745
  C      -0.929022      4.719942      7.540650
  C      -2.433867      4.943473      7.654276
  C       0.749649      2.932947      7.215336
  C       0.795922      2.660634      5.719542
  N      -0.307611      1.785196      5.379866
  H      -2.668436      5.972827      7.310511
  H      -2.728339      4.924266      8.727179
  H      -0.559247      5.063406      6.564061
  H      -0.387099      5.283203      8.324619
  H       1.771688      2.200834      5.472518
  H       0.766263      3.622106      5.155560
  H       1.028466      2.011912      7.743808
  H       1.444975      3.733507      7.523166
  H      -1.758278      0.916126      9.811918
  H      -0.415339      0.623032      8.691632
  H      -1.811608      3.266246      9.376134
  H      -0.093657      2.873103      9.658179
  C      -4.581076      3.931984      7.263322
  C      -5.448641      3.496248      6.129321
  C      -6.622583      4.053084      5.783142
  C      -7.424620      3.546750      4.665185
  N      -6.861326      2.644404      3.859074
  C      -7.595735      2.162926      2.833069
  N      -8.836201      2.487050      2.501845
  C      -9.442618      3.407181      3.307226
  C     -10.782867      3.777231      3.030105
  C     -11.435246      4.683445      3.838406
  C     -10.775807      5.257792      4.951141
  C      -9.469699      4.918143      5.241356
  C      -8.771366      3.987787      4.431618
  C      -0.169466      1.033525      4.133641
  C      -0.265020     -0.433251      4.424857
  C      -1.071648     -1.368165      3.871638
  C      -2.040937     -1.194251      2.796389
  N      -1.914477     -0.156620      1.958631
  C      -2.879005      0.012288      1.022868
  N      -3.939250     -0.739930      0.795079
  C      -4.077794     -1.832108      1.608440
  C      -5.189322     -2.687502      1.414208
  C      -5.361986     -3.797501      2.214798
  C      -4.435014     -4.087727      3.240776
  C      -3.348100     -3.262919      3.457528
  C      -3.135767     -2.120482      2.645881
  C      -3.086291     -0.119509      7.829233
  C      -4.250232      0.172363      8.728850
  C      -5.570614      0.187354      8.434997
  C      -6.216571     -0.185061      7.178337
  N      -5.599733     -1.036312      6.352724
  C      -6.231880     -1.366050      5.200854
  N      -7.437310     -1.001661      4.802656
  C      -8.097743     -0.132517      5.625736
  C      -9.387107      0.316914      5.248609
  C     -10.060419      1.232992      6.030415
  C      -9.471202      1.733089      7.214097
  C      -8.220072      1.301295      7.610206
  C      -7.510478      0.348117      6.838743
  H      -4.889108      4.945186      7.589223
  H      -4.764325      3.259885      8.136867
  H      -5.102987      2.644689      5.541900
  H      -7.012238      4.898926      6.353461
  H      -7.095790      1.414881      2.209273
  H     -11.270793      3.317276      2.169055
  H     -12.468380      4.960793      3.622670
  H     -11.305582      5.972423      5.582864
  H      -8.979987      5.359568      6.109526
  H       0.815126      1.238495      3.669097
  H      -0.919650      1.314072      3.378731
  H       0.357089     -0.750972      5.268336
  H      -1.038762     -2.361680      4.318643
  H      -2.750934      0.885221      0.372969
  H      -5.893693     -2.433555      0.621516
  H      -6.222679     -4.450371      2.065619
  H      -4.587290     -4.962173      3.875554
  H      -2.660719     -3.491252      4.270934
  H      -2.501622     -0.971451      8.236407
  H      -3.434206     -0.415292      6.835187
  H      -3.976890      0.522363      9.731745
  H      -6.240420      0.558999      9.213531
  H      -5.674026     -2.030682      4.535437
  H      -9.806582     -0.061883      4.315661
  H     -11.043489      1.593010      5.724504
  H     -10.005040      2.472616      7.810853
  H      -7.770069      1.713752      8.513840
  N      -1.970335      3.844291      4.316266
  H      -1.186206      4.497934      4.236883
  H      -2.824923      4.397490      4.419298
  H      -2.031944      3.342314      3.426035
  N      -3.261390      1.316937      4.998107
  N      -3.893990      0.686879      4.275419
95
Coordinates from ORCA-job orca E -6310.860289478495
  N      -3.170428      3.920805      6.891789
  Mo     -2.097525      2.304047      6.195324
  N      -2.249273      1.073739      7.735762
  C      -1.332586      1.248257      8.855156
  C      -0.961701      2.717766      8.974529
  N      -0.650899      3.265857      7.621660
  C      -0.940584      4.715526      7.528121
  C      -2.446354      4.936082      7.637643
  C       0.741942      2.928098      7.217706
  C       0.794898      2.647048      5.724804
  N      -0.306205      1.769319      5.383752
  H      -2.683008      5.963491      7.288825
  H      -2.741928      4.920678      8.709720
  H      -0.569641      5.055670      6.550651
  H      -0.401617      5.284252      8.310576
  H       1.771574      2.185699      5.486739
  H       0.768762      3.605002      5.154281
  H       1.019698      2.010259      7.753145
  H       1.435492      3.731067      7.522847
  H      -1.770146      0.919856      9.815786
  H      -0.425213      0.623743      8.700406
  H      -1.825030      3.268126      9.368653
  H      -0.108064      2.878601      9.657482
  C      -4.587223      3.901637      7.259960
  C      -5.458337      3.471926      6.126132
  C      -6.632536      4.034907      5.788660
  C      -7.442349      3.538025      4.672101
  N      -6.891154      2.625826      3.868211
  C      -7.632858      2.150146      2.845426
  N      -8.869997      2.487021      2.515891
  C      -9.463939      3.418012      3.318281
  C     -10.799408      3.801448      3.041945
  C     -11.439468      4.719441      3.846723
  C     -10.771864      5.292984      4.954961
  C      -9.470093      4.940315      5.244411
  C      -8.784200      3.996308      4.438619
  C      -0.166570      1.038710      4.126601
  C      -0.224181     -0.434980      4.397385
  C      -1.020141     -1.375972      3.839963
  C      -2.001225     -1.197080      2.776097
  N      -1.873515     -0.164352      1.933023
  C      -2.840559      0.003261      0.999698
  N      -3.902616     -0.747392      0.778346
  C      -4.045593     -1.831584      1.601568
  C      -5.161682     -2.682889      1.417082
  C      -5.340598     -3.782505      2.230718
  C      -4.416690     -4.065089      3.261560
  C      -3.325248     -3.244418      3.468404
  C      -3.104122     -2.114977      2.640431
  C      -3.095456     -0.122315      7.836809
  C      -4.258614      0.175217      8.734057
  C      -5.578637      0.191980      8.439897
  C      -6.225980     -0.182268      7.185458
  N      -5.609368     -1.033210      6.360336
  C      -6.242212     -1.362863      5.209628
  N      -7.448904     -0.999818      4.812760
  C      -8.108956     -0.130034      5.634764
  C      -9.398138      0.319446      5.257542
  C     -10.069726      1.238303      6.036336
  C      -9.479436      1.741458      7.217147
  C      -8.229032      1.308631      7.614032
  C      -7.520507      0.352013      6.845723
  H      -4.903878      4.907641      7.599320
  H      -4.757327      3.216850      8.126208
  H      -5.116206      2.623838      5.530466
  H      -7.016159      4.878966      6.365886
  H      -7.143382      1.392880      2.223899
  H     -11.293721      3.342212      2.184201
  H     -12.468878      5.006633      3.631738
  H     -11.291871      6.017314      5.583952
  H      -8.974407      5.381186      6.109339
  H       0.805299      1.275472      3.648884
  H      -0.934089      1.310118      3.387428
  H       0.414138     -0.753067      5.228774
  H      -0.965415     -2.377796      4.268664
  H      -2.709771      0.871436      0.343973
  H      -5.865366     -2.433578      0.622217
  H      -6.205414     -4.431947      2.089539
  H      -4.576087     -4.929397      3.908733
  H      -2.642306     -3.464077      4.287938
  H      -2.512370     -0.972376      8.247211
  H      -3.445371     -0.421781      6.845385
  H      -3.985286      0.527644      9.735116
  H      -6.247069      0.567877      9.215914
  H      -5.683573     -2.030051      4.545179
  H      -9.818247     -0.059586      4.325797
  H     -11.052867      1.599847      5.729544
  H     -10.012045      2.485497      7.810800
  H      -7.778670      1.722827      8.515686
  N      -1.962551      3.830091      4.313038
  H      -1.174700      4.478791      4.231090
  H      -2.812982      4.388265      4.422166
  H      -2.032199      3.331499      3.421582
  N      -3.256707      1.299205      4.993566
  N      -3.878145      0.663865      4.265625
95
Coordinates from ORCA-job orca E -6310.860268208071
  N      -3.168990      3.922061      6.883314
  Mo     -2.096359      2.302744      6.191774
  N      -2.255906      1.076155      7.734327
  C      -1.342195      1.248997      8.855341
  C      -0.967110      2.716237      8.973788
  N      -0.652229      3.262637      7.621248
  C      -0.938598      4.711958      7.525454
  C      -2.443982      4.937022      7.629007
  C       0.740815      2.921690      7.220907
  C       0.797755      2.640044      5.728205
  N      -0.304195      1.764481      5.384623
  H      -2.675840      5.963411      7.276631
  H      -2.743044      4.925665      8.700269
  H      -0.562898      5.049208      6.548968
  H      -0.401772      5.279968      8.309119
  H       1.774453      2.176406      5.493403
  H       0.775336      3.597539      5.156752
  H       1.014688      2.003719      7.757252
  H       1.435498      3.722604      7.527710
  H      -1.782739      0.922988      9.815474
  H      -0.437241      0.622125      8.702921
  H      -1.828322      3.268658      9.366632
  H      -0.115056      2.874216      9.656952
  C      -4.584599      3.904548      7.249849
  C      -5.457776      3.472849      6.119270
  C      -6.631270      4.036953      5.783349
  C      -7.445859      3.536101      4.673445
  N      -6.900859      2.623978      3.866609
  C      -7.648505      2.144688      2.850163
  N      -8.886315      2.480066      2.528346
  C      -9.473899      3.413296      3.333270
  C     -10.809411      3.807456      3.060225
  C     -11.442713      4.730982      3.866035
  C     -10.768501      5.295643      4.973562
  C      -9.466539      4.933193      5.259413
  C      -8.787162      3.990726      4.449415
  C      -0.164059      1.037384      4.125066
  C      -0.213061     -0.436838      4.394344
  C      -1.005074     -1.379605      3.835974
  C      -1.983936     -1.200946      2.771796
  N      -1.855962     -0.169857      1.927508
  C      -2.819558     -0.005071      0.991343
  N      -3.877677     -0.757224      0.768101
  C      -4.022123     -1.838527      1.594537
  C      -5.141582     -2.688149      1.413893
  C      -5.323329     -3.783613      2.232537
  C      -4.396915     -4.064390      3.263239
  C      -3.303740     -3.244653      3.467119
  C      -3.083586     -2.118522      2.636349
  C      -3.105863     -0.115311      7.835779
  C      -4.268983      0.186457      8.730818
  C      -5.588987      0.204407      8.436077
  C      -6.237016     -0.170521      7.181287
  N      -5.618960     -1.021248      6.354537
  C      -6.252474     -1.354524      5.204878
  N      -7.461127     -0.996026      4.810595
  C      -8.122991     -0.127091      5.634485
  C      -9.415172      0.319836      5.259100
  C     -10.088446      1.232391      6.041552
  C      -9.497401      1.735764      7.222549
  C      -8.245012      1.311090      7.615365
  C      -7.533996      0.357508      6.844912
  H      -4.898954      4.909010      7.585699
  H      -4.753646      3.224246      8.115683
  H      -5.118188      2.623112      5.525565
  H      -7.011898      4.882948      6.359149
  H      -7.164030      1.388344      2.225889
  H     -11.308703      3.354263      2.203184
  H     -12.472344      5.030441      3.651982
  H     -11.283154      6.023486      5.603846
  H      -8.965533      5.371029      6.122297
  H       0.805518      1.280260      3.642418
  H      -0.937644      1.307136      3.389018
  H       0.427703     -0.753473      5.224236
  H      -0.946683     -2.383131      4.261441
  H      -2.687429      0.861143      0.333600
  H      -5.847049     -2.440028      0.618998
  H      -6.193023     -4.431078      2.095849
  H      -4.557652     -4.925453      3.913743
  H      -2.620919     -3.461292      4.288175
  H      -2.526792     -0.965322      8.248827
  H      -3.455179     -0.415514      6.844214
  H      -3.996330      0.538744      9.732982
  H      -6.258050      0.579661      9.214354
  H      -5.693571     -2.012890      4.536854
  H      -9.836047     -0.057647      4.326138
  H     -11.073915      1.591469      5.736341
  H     -10.031870      2.480122      7.817498
  H      -7.795250      1.727699      8.516521
  N      -1.954108      3.827439      4.308823
  H      -1.160218      4.464415      4.219953
  H      -2.794146      4.395125      4.424010
  H      -2.036676      3.330653      3.418549
  N      -3.254130      1.297016      4.989496
  N      -3.868312      0.658889      4.258810
95
Coordinates from ORCA-job orca E -6310.860351943184
  N      -3.167895      3.923709      6.885070
  Mo     -2.095768      2.305274      6.191468
  N      -2.254618      1.077417      7.733064
  C      -1.341327      1.250896      8.854859
  C      -0.967018      2.718799      8.973671
  N      -0.651474      3.264779      7.621183
  C      -0.937353      4.714310      7.525382
  C      -2.442765      4.938891      7.630523
  C       0.741495      2.923378      7.220948
  C       0.798349      2.643083      5.727880
  N      -0.304227      1.768730      5.383057
  H      -2.675427      5.965791      7.278828
  H      -2.741116      4.926755      8.702070
  H      -0.562438      5.051801      6.548667
  H      -0.399652      5.282154      8.308489
  H       1.774746      2.179095      5.492486
  H       0.776526      3.601290      5.157468
  H       1.014730      2.004639      7.756492
  H       1.436575      3.723672      7.528696
  H      -1.782401      0.924537      9.814636
  H      -0.435386      0.624342      8.703098
  H      -1.829183      3.271450      9.365626
  H      -0.115049      2.877445      9.657757
  C      -4.583959      3.905165      7.254553
  C      -5.457603      3.475053      6.122605
  C      -6.630958      4.040173      5.787085
  C      -7.445500      3.542527      4.674998
  N      -6.898921      2.632230      3.866402
  C      -7.645877      2.156796      2.847154
  N      -8.884101      2.493621      2.524732
  C      -9.473536      3.423548      3.332205
  C     -10.810100      3.812826      3.061690
  C     -11.445585      4.729862      3.871761
  C     -10.772326      5.295195      4.980185
  C      -9.469328      4.937798      5.263538
  C      -8.787936      3.998277      4.450731
  C      -0.163032      1.037559      4.126118
  C      -0.217768     -0.435259      4.399498
  C      -1.011442     -1.378522      3.843069
  C      -1.989950     -1.203647      2.776693
  N      -1.861803     -0.173623      1.930462
  C      -2.826085     -0.011318      0.993406
  N      -3.885892     -0.764622      0.771765
  C      -4.029807     -1.845275      1.599502
  C      -5.146179     -2.697692      1.417543
  C      -5.325273     -3.793689      2.235710
  C      -4.400455     -4.071963      3.267955
  C      -3.309821     -3.249628      3.472992
  C      -3.090349     -2.123276      2.641676
  C      -3.102336     -0.117397      7.832145
  C      -4.267259      0.181513      8.726939
  C      -5.586894      0.198835      8.430736
  C      -6.233412     -0.175024      7.175095
  N      -5.614742     -1.023722      6.348075
  C      -6.246858     -1.354843      5.197114
  N      -7.454702     -0.995793      4.801736
  C      -8.117118     -0.128529      5.625758
  C      -9.408238      0.318691      5.249450
  C     -10.082190      1.232372      6.031246
  C      -9.492677      1.734406      7.213484
  C      -8.240804      1.306563      7.608324
  C      -7.529554      0.353899      6.837558
  H      -4.899446      4.911183      7.593696
  H      -4.752399      3.221237      8.121204
  H      -5.118679      2.625112      5.528193
  H      -7.010832      4.886050      6.363939
  H      -7.160137      1.401245      2.221452
  H     -11.308806      3.359180      2.203948
  H     -12.476045      5.023120      3.660691
  H     -11.288764      6.018046      5.613700
  H      -8.969130      5.374083      6.127993
  H       0.808365      1.275699      3.647639
  H      -0.932125      1.307218      3.386791
  H       0.420230     -0.750460      5.232147
  H      -0.955886     -2.379562      4.273731
  H      -2.694564      0.854277      0.334390
  H      -5.849991     -2.451925      0.621043
  H      -6.190397     -4.443910      2.096570
  H      -4.558912     -4.933868      3.917654
  H      -2.626435     -3.465379      4.293829
  H      -2.521508     -0.967893      8.244496
  H      -3.449901     -0.416767      6.839681
  H      -3.995847      0.533599      9.729229
  H      -6.256570      0.573976      9.207463
  H      -5.686660     -2.016350      4.530141
  H      -9.827819     -0.058801      4.316207
  H     -11.066652      1.591307      5.725578
  H     -10.027336      2.476676      7.808798
  H      -7.791752      1.721251      8.510786
  N      -1.956833      3.831232      4.308333
  H      -1.162830      4.469741      4.219038
  H      -2.798739      4.398511      4.423964
  H      -2.039434      3.333260      3.418129
  N      -3.254822      1.301334      4.988464
  N      -3.874885      0.666814      4.258876
95
Coordinates from ORCA-job orca E -6310.860383886200
  N      -3.165086      3.927406      6.883265
  Mo     -2.095045      2.307734      6.189806
  N      -2.256345      1.080304      7.731722
  C      -1.344643      1.254370      8.855467
  C      -0.968959      2.722752      8.973387
  N      -0.650318      3.266037      7.620612
  C      -0.933299      4.716496      7.521729
  C      -2.438518      4.944023      7.625410
  C       0.742425      2.921497      7.222275
  C       0.799889      2.642696      5.728815
  N      -0.304499      1.771431      5.381608
  H      -2.669644      5.970181      7.270286
  H      -2.737133      4.935796      8.696626
  H      -0.557263      5.051406      6.544476
  H      -0.394804      5.285343      8.304330
  H       1.775351      2.176873      5.493395
  H       0.780408      3.601705      5.159789
  H       1.012908      2.001281      7.757143
  H       1.439171      3.719981      7.531853
  H      -1.788007      0.929659      9.814763
  H      -0.438414      0.626438      8.706606
  H      -1.831832      3.277566      9.362460
  H      -0.117632      2.881739      9.659580
  C      -4.580562      3.911221      7.254124
  C      -5.456449      3.478345      6.125873
  C      -6.629226      4.045123      5.791369
  C      -7.447517      3.550192      4.680692
  N      -6.902783      2.643305      3.867062
  C      -7.652931      2.174393      2.846941
  N      -8.892261      2.514025      2.528710
  C      -9.480326      3.438463      3.342610
  C     -10.818648      3.823887      3.080092
  C     -11.452884      4.734547      3.897675
  C     -10.776349      5.298892      5.005120
  C      -9.471515      4.944555      5.280963
  C      -8.791573      4.008207      4.461703
  C      -0.161303      1.035194      4.127283
  C      -0.219301     -0.436628      4.406674
  C      -1.013095     -1.381224      3.852741
  C      -1.987903     -1.211737      2.781928
  N      -1.858269     -0.183649      1.933654
  C      -2.818301     -0.026145      0.991674
  N      -3.874958     -0.782308      0.767129
  C      -4.020816     -1.860673      1.597457
  C      -5.134579     -2.715290      1.413370
  C      -5.317683     -3.808518      2.235336
  C      -4.399094     -4.082290      3.272978
  C      -3.309351     -3.258335      3.479049
  C      -3.086287     -2.134055      2.644634
  C      -3.104080     -0.114997      7.829455
  C      -4.271792      0.184040      8.720568
  C      -5.590904      0.199284      8.421475
  C      -6.234163     -0.176804      7.165482
  N      -5.611805     -1.023207      6.339476
  C      -6.240624     -1.353325      5.186607
  N      -7.448701     -0.995081      4.788145
  C      -8.114996     -0.131368      5.611603
  C      -9.406347      0.311371      5.233650
  C     -10.084835      1.223821      6.014237
  C      -9.499506      1.727427      7.197545
  C      -8.246987      1.301962      7.594719
  C      -7.531290      0.351159      6.824941
  H      -4.894220      4.917696      7.589294
  H      -4.748442      3.231617      8.122745
  H      -5.119515      2.626160      5.533744
  H      -7.005498      4.892922      6.367818
  H      -7.168700      1.421985      2.216479
  H     -11.320065      3.371595      2.222833
  H     -12.484722      5.023155      3.693538
  H     -11.291887      6.017463      5.644298
  H      -8.968761      5.377832      6.145659
  H       0.812022      1.270081      3.650750
  H      -0.928009      1.304210      3.384861
  H       0.415933     -0.749050      5.242645
  H      -0.960337     -2.379509      4.289355
  H      -2.685771      0.837747      0.330821
  H      -5.834054     -2.473027      0.612886
  H      -6.182136     -4.459839      2.095350
  H      -4.561467     -4.942259      3.925908
  H      -2.630385     -3.470997      4.303470
  H      -2.524164     -0.964840      8.244936
  H      -3.448488     -0.415447      6.836343
  H      -4.002741      0.538433      9.722190
  H      -6.262265      0.575861      9.194941
  H      -5.677231     -2.012188      4.520353
  H      -9.822636     -0.067595      4.299960
  H     -11.069590      1.579821      5.707171
  H     -10.037483      2.466537      7.792489
  H      -7.801250      1.716636      8.498612
  N      -1.957895      3.834342      4.305965
  H      -1.160896      4.470525      4.213070
  H      -2.798826      4.405270      4.424565
  H      -2.046096      3.334542      3.416560
  N      -3.254138      1.305622      4.985580
  N      -3.875591      0.672763      4.255565
95
Coordinates from ORCA-job orca E -6310.860464022237
  N      -3.162777      3.929684      6.872978
  Mo     -2.093194      2.309428      6.182093
  N      -2.264676      1.084912      7.725058
  C      -1.358925      1.259266      8.853203
  C      -0.979514      2.727250      8.969519
  N      -0.652206      3.265980      7.617360
  C      -0.929944      4.717271      7.512287
  C      -2.435390      4.949226      7.611285
  C       0.741098      2.915504      7.226155
  C       0.804767      2.637463      5.733014
  N      -0.302379      1.772269      5.378527
  H      -2.663011      5.974681      7.250500
  H      -2.736727      4.946818      8.681805
  H      -0.549709      5.047567      6.535256
  H      -0.391955      5.287552      8.294186
  H       1.778989      2.166891      5.502406
  H       0.792964      3.596834      5.164580
  H       1.004466      1.993270      7.761385
  H       1.440347      3.710591      7.540132
  H      -1.808549      0.937762      9.810574
  H      -0.453508      0.628754      8.710894
  H      -1.842833      3.285810      9.352513
  H      -0.130969      2.885527      9.659465
  C      -4.576647      3.907642      7.253554
  C      -5.458180      3.477076      6.127719
  C      -6.629088      4.050909      5.798797
  C      -7.456374      3.565051      4.690847
  N      -6.918810      2.661573      3.868574
  C      -7.676847      2.202662      2.849757
  N      -8.917054      2.548467      2.541232
  C      -9.498586      3.467326      3.365848
  C     -10.838547      3.854040      3.117059
  C     -11.466518      4.758334      3.946845
  C     -10.781674      5.314494      5.053193
  C      -9.474999      4.957923      5.316047
  C      -8.801559      4.027387      4.484337
  C      -0.153457      1.033692      4.126115
  C      -0.205078     -0.437407      4.409816
  C      -0.994095     -1.387627      3.858935
  C      -1.966228     -1.227920      2.783578
  N      -1.834730     -0.206823      1.927411
  C      -2.790197     -0.060885      0.977944
  N      -3.844647     -0.821808      0.754475
  C      -3.993767     -1.891298      1.595393
  C      -5.105604     -2.748863      1.414731
  C      -5.291354     -3.832834      2.247697
  C      -4.378265     -4.094294      3.293358
  C      -3.290626     -3.267272      3.496208
  C      -3.063710     -2.152600      2.650124
  C      -3.113788     -0.109259      7.820259
  C      -4.284886      0.192202      8.707148
  C      -5.603286      0.207305      8.403365
  C      -6.243098     -0.170357      7.145949
  N      -5.615503     -1.012580      6.319300
  C      -6.241043     -1.345364      5.165508
  N      -7.450531     -0.994179      4.766770
  C      -8.122362     -0.134495      5.590679
  C      -9.415639      0.302426      5.211638
  C     -10.099718      1.211120      5.992483
  C      -9.518261      1.714883      7.178155
  C      -8.263844      1.294991      7.576310
  C      -7.542579      0.350380      6.805176
  H      -4.892099      4.913611      7.595162
  H      -4.737123      3.222299      8.121833
  H      -5.128052      2.622738      5.534551
  H      -6.996298      4.900480      6.378125
  H      -7.198609      1.452289      2.211676
  H     -11.346649      3.407873      2.260649
  H     -12.499791      5.047747      3.753531
  H     -11.292389      6.028497      5.701937
  H      -8.965760      5.383491      6.180637
  H       0.818310      1.273034      3.651725
  H      -0.919068      1.296616      3.382579
  H       0.429147     -0.743369      5.248671
  H      -0.938651     -2.383301      4.301008
  H      -2.656089      0.796899      0.309746
  H      -5.801342     -2.516024      0.608079
  H      -6.153903     -4.486256      2.110107
  H      -4.543095     -4.947150      3.954501
  H      -2.615533     -3.469974      4.326343
  H      -2.536328     -0.960010      8.239889
  H      -3.454326     -0.409124      6.824940
  H      -4.019176      0.547710      9.709862
  H      -6.277307      0.584762      9.174761
  H      -5.672906     -2.002857      4.499372
  H      -9.828761     -0.077843      4.276838
  H     -11.086010      1.563605      5.684220
  H     -10.060326      2.449453      7.773800
  H      -7.821563      1.710518      8.481995
  N      -1.953182      3.838436      4.298583
  H      -1.145284      4.458930      4.192309
  H      -2.781528      4.424831      4.431498
  H      -2.065576      3.340215      3.411176
  N      -3.249850      1.310089      4.973268
  N      -3.872662      0.682011      4.240020
95
Coordinates from ORCA-job orca E -6310.860559038630
  N      -3.155812      3.939220      6.859529
  Mo     -2.090097      2.316515      6.172242
  N      -2.277119      1.096548      7.717419
  C      -1.379569      1.270530      8.851845
  C      -0.991973      2.735938      8.964826
  N      -0.652534      3.267418      7.612958
  C      -0.920184      4.719362      7.498969
  C      -2.424257      4.960771      7.591477
  C       0.739904      2.906564      7.230482
  C       0.810869      2.631328      5.737149
  N      -0.301518      1.777427      5.373769
  H      -2.644508      5.984666      7.222203
  H      -2.728334      4.967895      8.660982
  H      -0.533506      5.041706      6.521797
  H      -0.382015      5.290110      8.279535
  H       1.781891      2.152265      5.511626
  H       0.810905      3.591991      5.170260
  H       0.991552      1.980773      7.765232
  H       1.443856      3.694381      7.550909
  H      -1.837910      0.954910      9.807114
  H      -0.477002      0.634760      8.718958
  H      -1.853426      3.301214      9.339915
  H      -0.147462      2.890781      9.659216
  C      -4.566776      3.914692      7.252352
  C      -5.458651      3.484338      6.133578
  C      -6.626840      4.066948      5.811084
  C      -7.465615      3.587561      4.709930
  N      -6.936921      2.689326      3.874873
  C      -7.704993      2.238892      2.859515
  N      -8.946631      2.589861      2.565475
  C      -9.520101      3.501852      3.405633
  C     -10.862860      3.893980      3.174588
  C     -11.483512      4.784824      4.023673
  C     -10.788222      5.321531      5.132268
  C      -9.478413      4.962768      5.376704
  C      -8.812593      4.048381      4.523980
  C      -0.147541      1.031309      4.126427
  C      -0.195612     -0.436079      4.423053
  C      -0.980819     -1.393732      3.879016
  C      -1.946053     -1.250513      2.794309
  N      -1.808894     -0.240126      1.925922
  C      -2.755365     -0.111616      0.964059
  N      -3.806693     -0.879785      0.741116
  C      -3.962638     -1.936780      1.597162
  C      -5.070267     -2.800212      1.418938
  C      -5.259957     -3.872345      2.265940
  C      -4.355495     -4.116329      3.323263
  C      -3.272934     -3.283075      3.524298
  C      -3.041458     -2.180216      2.664133
  C      -3.125739     -0.100399      7.805795
  C      -4.305435      0.200364      8.681825
  C      -5.621946      0.211706      8.369615
  C      -6.254315     -0.167305      7.109649
  N      -5.618324     -1.000614      6.281533
  C      -6.236384     -1.331595      5.123558
  N      -7.446505     -0.986239      4.721418
  C      -8.127549     -0.135996      5.547143
  C      -9.422293      0.295046      5.164844
  C     -10.115977      1.191672      5.948690
  C      -9.543420      1.693615      7.139126
  C      -8.287445      1.281419      7.539464
  C      -7.556040      0.345276      6.766793
  H      -4.880783      4.920438      7.597598
  H      -4.718067      3.227624      8.121677
  H      -5.138987      2.624597      5.542332
  H      -6.981942      4.921183      6.391142
  H      -7.233918      1.491279      2.210700
  H     -11.379509      3.460299      2.317271
  H     -12.519534      5.077435      3.844718
  H     -11.293434      6.022279      5.797131
  H      -8.960907      5.373645      6.243113
  H       0.824388      1.271399      3.651925
  H      -0.914334      1.287279      3.380180
  H       0.435377     -0.731600      5.268472
  H      -0.926094     -2.383256      4.333955
  H      -2.615935      0.736612      0.284220
  H      -5.758475     -2.581505      0.602221
  H      -6.117476     -4.530494      2.129148
  H      -4.522447     -4.960770      3.993753
  H      -2.603247     -3.472456      4.362282
  H      -2.551543     -0.949773      8.232791
  H      -3.456031     -0.402490      6.808485
  H      -4.047915      0.558316      9.685163
  H      -6.301239      0.588664      9.136215
  H      -5.660388     -1.981530      4.456565
  H      -9.828696     -0.081812      4.225836
  H     -11.102908      1.537207      5.638987
  H     -10.093355      2.423665      7.735720
  H      -7.852805      1.696886      8.448580
  N      -1.946181      3.848859      4.287387
  H      -1.123870      4.446281      4.162034
  H      -2.755293      4.456876      4.438835
  H      -2.092153      3.352117      3.403886
  N      -3.247790      1.324086      4.957822
  N      -3.875625      0.703736      4.221602
95
Coordinates from ORCA-job orca E -6310.860669836239
  N      -3.155248      3.941290      6.844652
  Mo     -2.089064      2.317985      6.160554
  N      -2.289566      1.101919      7.707093
  C      -1.399718      1.276822      8.847393
  C      -1.007236      2.741302      8.958309
  N      -0.656385      3.266703      7.607281
  C      -0.917866      4.719208      7.485436
  C      -2.422058      4.966872      7.570758
  C       0.736694      2.898471      7.234501
  C       0.816151      2.622872      5.741363
  N      -0.299853      1.776860      5.369500
  H      -2.637037      5.988690      7.193071
  H      -2.729407      4.983006      8.639064
  H      -0.525170      5.034954      6.508681
  H      -0.380916      5.291857      8.265418
  H       1.785611      2.136864      5.522821
  H       0.826123      3.583308      5.174195
  H       0.979420      1.970732      7.770290
  H       1.443337      3.681929      7.560302
  H      -1.866134      0.966176      9.800386
  H      -0.498378      0.637411      8.723693
  H      -1.869227      3.311207      9.325152
  H      -0.167007      2.895079      9.658076
  C      -4.562872      3.908392      7.249238
  C      -5.462278      3.478654      6.136307
  C      -6.627855      4.069249      5.820246
  C      -7.477151      3.599149      4.723702
  N      -6.958515      2.710092      3.874420
  C      -7.736506      2.274434      2.859737
  N      -8.978282      2.633852      2.578492
  C      -9.542370      3.535226      3.434870
  C     -10.886045      3.935859      3.219356
  C     -11.497365      4.817682      4.085264
  C     -10.791421      5.337626      5.195216
  C      -9.480391      4.970441      5.424615
  C      -8.824254      4.064791      4.554591
  C      -0.139171      1.028390      4.124437
  C      -0.174970     -0.438749      4.426350
  C      -0.952651     -1.403997      3.885910
  C      -1.913066     -1.271386      2.796125
  N      -1.772993     -0.270324      1.918279
  C      -2.711237     -0.156294      0.946663
  N      -3.756483     -0.930562      0.723082
  C      -3.917844     -1.975370      1.592460
  C      -5.025417     -2.840829      1.419572
  C      -5.222855     -3.898441      2.282841
  C      -4.325115     -4.126261      3.350421
  C      -3.242785     -3.291044      3.545978
  C      -3.005580     -2.202552      2.670498
  C      -3.140514     -0.092245      7.793033
  C      -4.323281      0.212447      8.663807
  C      -5.638980      0.223395      8.347267
  C      -6.269041     -0.157726      7.086137
  N      -5.628433     -0.986589      6.255713
  C      -6.245286     -1.319942      5.097072
  N      -7.457570     -0.982221      4.696226
  C      -8.143366     -0.137957      5.524782
  C      -9.440996      0.286039      5.143566
  C     -10.139796      1.177526      5.929872
  C      -9.569638      1.679339      7.122699
  C      -8.310730      1.274702      7.521499
  C      -7.574136      0.345739      6.745446
  H      -4.878264      4.911313      7.600115
  H      -4.703653      3.216900      8.116593
  H      -5.151017      2.616039      5.545387
  H      -6.972348      4.925962      6.402972
  H      -7.273428      1.536059      2.197857
  H     -11.411383      3.515716      2.360623
  H     -12.534308      5.117168      3.918396
  H     -11.289476      6.032381      5.872954
  H      -8.954369      5.368168      6.292270
  H       0.829433      1.277072      3.648057
  H      -0.908989      1.275341      3.379268
  H       0.456828     -0.726595      5.274007
  H      -0.892703     -2.392262      4.345403
  H      -2.568601      0.683610      0.257827
  H      -5.708866     -2.634255      0.595024
  H      -6.081858     -4.557296      2.151151
  H      -4.498160     -4.959125      4.033168
  H      -2.579410     -3.466432      4.392461
  H      -2.570847     -0.941775      8.225859
  H      -3.466300     -0.394666      6.793879
  H      -4.068872      0.572391      9.667907
  H      -6.320515      0.601584      9.112432
  H      -5.666629     -1.962449      4.427480
  H      -9.845669     -0.091816      4.203256
  H     -11.128911      1.517454      5.621131
  H     -10.123181      2.402763      7.722152
  H      -7.878145      1.690932      8.432228
  N      -1.938812      3.854270      4.277671
  H      -1.104536      4.431041      4.137478
  H      -2.729982      4.480696      4.446436
  H      -2.113725      3.362144      3.396967
  N      -3.242444      1.328475      4.940074
  N      -3.867275      0.711694      4.198639
95
Coordinates from ORCA-job orca E -6310.860742032088
  N      -3.153427      3.946911      6.834476
  Mo     -2.089276      2.323532      6.149005
  N      -2.302127      1.109229      7.695454
  C      -1.417628      1.282014      8.839554
  C      -1.019022      2.744713      8.950719
  N      -0.658450      3.266773      7.601316
  C      -0.913225      4.719937      7.474512
  C      -2.416821      4.975076      7.554323
  C       0.734504      2.891972      7.235389
  C       0.819566      2.617964      5.742205
  N      -0.300994      1.780473      5.363207
  H      -2.626035      5.994867      7.168893
  H      -2.725936      5.000239      8.621693
  H      -0.515209      5.030184      6.498290
  H      -0.376379      5.293017      8.254312
  H       1.786562      2.125483      5.527723
  H       0.838242      3.578678      5.176514
  H       0.969636      1.961860      7.770348
  H       1.444045      3.671038      7.566222
  H      -1.890447      0.974754      9.790526
  H      -0.518556      0.638714      8.722013
  H      -1.880417      3.318622      9.311951
  H      -0.182207      2.895295      9.654783
  C      -4.556713      3.908319      7.249689
  C      -5.463735      3.477132      6.144149
  C      -6.626767      4.074847      5.831940
  C      -7.484751      3.613320      4.738823
  N      -6.973579      2.730898      3.877233
  C      -7.759047      2.310076      2.861922
  N      -9.000569      2.678976      2.590813
  C      -9.558021      3.570662      3.462138
  C     -10.902574      3.974269      3.261417
  C     -11.507887      4.842814      4.144808
  C     -10.794605      5.346509      5.257672
  C      -9.482197      4.976065      5.472522
  C      -8.832479      4.083287      4.584607
  C      -0.135151      1.025975      4.121265
  C      -0.162593     -0.439802      4.432516
  C      -0.934880     -1.411844      3.897813
  C      -1.888524     -1.291531      2.801446
  N      -1.743522     -0.300315      1.913828
  C      -2.671107     -0.201744      0.931033
  N      -3.709297     -0.982975      0.705538
  C      -3.877930     -2.015589      1.587959
  C      -4.983283     -2.884829      1.417355
  C      -5.190832     -3.927918      2.296524
  C      -4.304690     -4.137650      3.377325
  C      -3.223224     -3.299470      3.569469
  C      -2.977589     -2.225266      2.678846
  C      -3.154918     -0.083251      7.777994
  C      -4.340833      0.223153      8.645831
  C      -5.656099      0.232438      8.326606
  C      -6.282779     -0.149796      7.064395
  N      -5.634845     -0.975228      6.234502
  C      -6.246620     -1.311612      5.074978
  N      -7.460113     -0.979701      4.672312
  C      -8.153939     -0.139312      5.500481
  C      -9.453441      0.277829      5.117071
  C     -10.161126      1.160887      5.904433
  C      -9.597949      1.659933      7.100942
  C      -8.337207      1.265252      7.500370
  C      -7.591365      0.345596      6.723009
  H      -4.871497      4.908197      7.602703
  H      -4.687760      3.216583      8.115380
  H      -5.159879      2.610495      5.555266
  H      -6.962004      4.934744      6.415556
  H      -7.302483      1.574706      2.190121
  H     -11.433963      3.565999      2.400615
  H     -12.545874      5.143668      3.989969
  H     -11.288199      6.030893      5.949392
  H      -8.950301      5.359475      6.342951
  H       0.831261      1.278928      3.641504
  H      -0.908603      1.265427      3.376222
  H       0.467685     -0.718823      5.283897
  H      -0.873446     -2.396039      4.365150
  H      -2.524333      0.629804      0.233256
  H      -5.659014     -2.691530      0.583123
  H      -6.051015     -4.588375      2.168231
  H      -4.487210     -4.958423      4.073269
  H      -2.569790     -3.459961      4.426309
  H      -2.588158     -0.934260      8.214312
  H      -3.476924     -0.384745      6.776426
  H      -4.088918      0.583653      9.651031
  H      -6.339848      0.610205      9.090699
  H      -5.662510     -1.952199      4.406422
  H      -9.852814     -0.097884      4.174216
  H     -11.152858      1.499480      5.592224
  H     -10.158613      2.377951      7.701277
  H      -7.910727      1.681326      8.412982
  N      -1.932457      3.866502      4.270460
  H      -1.085809      4.417285      4.112581
  H      -2.699619      4.513582      4.459075
  H      -2.141505      3.382571      3.393942
  N      -3.238902      1.338864      4.921567
  N      -3.860119      0.724709      4.175767
95
Coordinates from ORCA-job orca E -6310.860807052501
  N      -3.154767      3.948853      6.821732
  Mo     -2.088766      2.325838      6.136572
  N      -2.313121      1.114110      7.683844
  C      -1.435450      1.288886      8.833733
  C      -1.032645      2.750968      8.942610
  N      -0.661992      3.267900      7.593925
  C      -0.912717      4.721860      7.459752
  C      -2.416475      4.981395      7.534673
  C       0.731770      2.887392      7.236781
  C       0.824599      2.610716      5.744205
  N      -0.299523      1.780400      5.357966
  H      -2.622609      5.999039      7.141691
  H      -2.726691      5.015045      8.601195
  H      -0.511004      5.026345      6.483199
  H      -0.376127      5.297992      8.238435
  H       1.789628      2.111134      5.536984
  H       0.852856      3.570108      5.176963
  H       0.960495      1.956631      7.773929
  H       1.442668      3.664200      7.571224
  H      -1.915407      0.986994      9.782977
  H      -0.537592      0.641775      8.725389
  H      -1.894661      3.328806      9.296099
  H      -0.199876      2.901055      9.652207
  C      -4.552971      3.897851      7.252489
  C      -5.468727      3.469092      6.152706
  C      -6.628818      4.075879      5.846663
  C      -7.495556      3.625093      4.756174
  N      -6.992360      2.752717      3.881445
  C      -7.784947      2.347673      2.865473
  N      -9.025492      2.724407      2.605042
  C      -9.575408      3.604082      3.491553
  C     -10.919243      4.015426      3.303026
  C     -11.517342      4.876202      4.200997
  C     -10.797209      5.360991      5.317514
  C      -9.485036      4.981122      5.520707
  C      -8.842729      4.099103      4.616608
  C      -0.128281      1.022650      4.117904
  C      -0.142348     -0.442376      4.435532
  C      -0.908507     -1.422329      3.906342
  C      -1.858890     -1.312608      2.805972
  N      -1.705830     -0.333452      1.906295
  C      -2.624273     -0.249375      0.913707
  N      -3.659434     -1.035185      0.689472
  C      -3.838813     -2.052708      1.587430
  C      -4.942410     -2.924243      1.420056
  C      -5.161156     -3.950208      2.316515
  C      -4.289933     -4.139301      3.412744
  C      -3.209609     -3.299646      3.600951
  C      -2.950498     -2.244438      2.691089
  C      -3.166780     -0.076863      7.764785
  C      -4.355379      0.232803      8.623345
  C      -5.669255      0.238349      8.300325
  C      -6.293262     -0.147660      7.038133
  N      -5.640453     -0.964100      6.204608
  C      -6.251589     -1.298639      5.043399
  N      -7.467918     -0.972000      4.641288
  C      -8.166718     -0.142132      5.473728
  C      -9.469329      0.265772      5.093094
  C     -10.183002      1.139774      5.884777
  C      -9.623174      1.640891      7.082020
  C      -8.358940      1.254196      7.479002
  C      -7.606406      0.341011      6.698401
  H      -4.870572      4.893390      7.615451
  H      -4.669928      3.198423      8.114025
  H      -5.173745      2.599738      5.562661
  H      -6.954187      4.937622      6.433282
  H      -7.335291      1.620831      2.182170
  H     -11.456183      3.621785      2.439334
  H     -12.555107      5.185237      4.055085
  H     -11.285440      6.039757      6.020884
  H      -8.947614      5.350257      6.393675
  H       0.833356      1.283880      3.633580
  H      -0.906625      1.252451      3.375649
  H       0.488920     -0.712312      5.288779
  H      -0.842751     -2.403343      4.378999
  H      -2.470935      0.572101      0.205279
  H      -5.608097     -2.745934      0.574673
  H      -6.020074     -4.612043      2.190674
  H      -4.483305     -4.945164      4.123328
  H      -2.567780     -3.443228      4.469277
  H      -2.604214     -0.924350      8.207429
  H      -3.484164     -0.382162      6.763952
  H      -4.107386      0.597683      9.627246
  H      -6.354982      0.616961      9.061839
  H      -5.665285     -1.928089      4.371375
  H      -9.866783     -0.110476      4.149446
  H     -11.176887      1.468849      5.575687
  H     -10.188963      2.353893      7.685288
  H      -7.934707      1.670745      8.392571
  N      -1.923846      3.875072      4.262284
  H      -1.066687      4.406866      4.092193
  H      -2.674450      4.538130      4.466712
  H      -2.159106      3.397862      3.388351
  N      -3.233869      1.346721      4.901606
  N      -3.854473      0.738140      4.150720
95
Coordinates from ORCA-job orca E -6310.860866855769
  N      -3.155371      3.955106      6.818792
  Mo     -2.090654      2.332774      6.128986
  N      -2.319755      1.120065      7.674649
  C      -1.443317      1.292750      8.825752
  C      -1.037598      2.753555      8.936110
  N      -0.663262      3.270574      7.588276
  C      -0.911151      4.724409      7.453587
  C      -2.413922      4.987717      7.527909
  C       0.729618      2.887403      7.232973
  C       0.824460      2.610541      5.740442
  N      -0.302258      1.785178      5.352497
  H      -2.617764      6.004230      7.132011
  H      -2.722841      5.025589      8.594279
  H      -0.508161      5.027170      6.476896
  H      -0.373948      5.299581      8.232232
  H       1.787373      2.106668      5.535069
  H       0.857440      3.569395      5.172529
  H       0.955811      1.956517      7.770704
  H       1.441242      3.662299      7.568082
  H      -1.924958      0.991502      9.774440
  H      -0.546934      0.643757      8.718480
  H      -1.898927      3.332713      9.288307
  H      -0.206483      2.901045      9.647827
  C      -4.549915      3.898134      7.258111
  C      -5.470823      3.470008      6.162706
  C      -6.629347      4.081541      5.858502
  C      -7.499184      3.636599      4.767766
  N      -6.998149      2.769893      3.885152
  C      -7.792523      2.373215      2.866760
  N      -9.031971      2.755797      2.609525
  C      -9.580146      3.629468      3.504768
  C     -10.923056      4.046247      3.319838
  C     -11.520156      4.894778      4.228528
  C     -10.799655      5.364696      5.351426
  C      -9.487833      4.984078      5.549464
  C      -8.846438      4.112369      4.634799
  C      -0.129522      1.021892      4.117081
  C      -0.138348     -0.441615      4.442590
  C      -0.902460     -1.426203      3.918345
  C      -1.850545     -1.323498      2.815449
  N      -1.693631     -0.352102      1.907885
  C      -2.607053     -0.277416      0.910253
  N      -3.638566     -1.067286      0.686898
  C      -3.822320     -2.076194      1.593569
  C      -4.924297     -2.950638      1.428210
  C      -5.148385     -3.966768      2.334687
  C      -4.284612     -4.142222      3.439420
  C      -3.206268     -3.299921      3.625578
  C      -2.941817     -2.255388      2.705191
  C      -3.170993     -0.074447      7.749580
  C      -4.362675      0.228564      8.608016
  C      -5.675859      0.231342      8.283770
  C      -6.298016     -0.152672      7.019864
  N      -5.643170     -0.965203      6.184897
  C      -6.252924     -1.299278      5.022824
  N      -7.468443     -0.975145      4.620523
  C      -8.169524     -0.148025      5.453760
  C      -9.472197      0.259779      5.071853
  C     -10.189143      1.130412      5.865126
  C      -9.632345      1.627320      7.065337
  C      -8.367491      1.240024      7.463622
  C      -7.611821      0.332079      6.680738
  H      -4.868533      4.890384      7.625743
  H      -4.658858      3.195687      8.116648
  H      -5.180059      2.598261      5.573299
  H      -6.950654      4.944912      6.445836
  H      -7.344906      1.653592      2.175909
  H     -11.460439      3.662727      2.451539
  H     -12.557482      5.204439      4.086725
  H     -11.287506      6.030844      6.064042
  H      -8.950260      5.341963      6.427253
  H       0.830630      1.285232      3.628997
  H      -0.911014      1.245592      3.376128
  H       0.494433     -0.706498      5.297387
  H      -0.834846     -2.405993      4.395802
  H      -2.451910      0.538537      0.195964
  H      -5.584539     -2.782312      0.576430
  H      -6.005780     -4.630947      2.210208
  H      -4.482504     -4.939383      4.158130
  H      -2.570581     -3.432536      4.500296
  H      -2.607039     -0.923821      8.188888
  H      -3.485165     -0.376881      6.746719
  H      -4.117369      0.591607      9.612980
  H      -6.362663      0.606515      9.045496
  H      -5.665664     -1.931052      4.351607
  H      -9.867602     -0.114956      4.126772
  H     -11.182473      1.454485      5.557337
  H     -10.200351      2.332800      7.671497
  H      -7.944712      1.652328      8.379761
  N      -1.920187      3.887398      4.259516
  H      -1.057696      4.412536      4.088483
  H      -2.666769      4.556627      4.468121
  H      -2.163148      3.412397      3.385078
  N      -3.234851      1.356878      4.891084
  N      -3.853116      0.748446      4.137983
95
Coordinates from ORCA-job orca E -6310.860972788720
  N      -3.157185      3.965632      6.829526
  Mo     -2.094440      2.346892      6.122652
  N      -2.319366      1.124856      7.661261
  C      -1.438390      1.290733      8.810196
  C      -1.031757      2.750529      8.928289
  N      -0.660675      3.276181      7.582743
  C      -0.909615      4.730146      7.458108
  C      -2.411451      4.993626      7.540452
  C       0.731169      2.896749      7.221188
  C       0.821655      2.623476      5.727231
  N      -0.307741      1.801240      5.341708
  H      -2.616328      6.012317      7.150552
  H      -2.715588      5.027114      8.608573
  H      -0.510487      5.038480      6.481470
  H      -0.369304      5.300124      8.237900
  H       1.782707      2.117989      5.517394
  H       0.854371      3.583223      5.160725
  H       0.961870      1.965656      7.756348
  H       1.441629      3.672471      7.555316
  H      -1.916907      0.984949      9.759233
  H      -0.542813      0.641177      8.696259
  H      -1.892275      3.327578      9.286468
  H      -0.199367      2.893054      9.639823
  C      -4.549304      3.904321      7.276074
  C      -5.471473      3.477480      6.180874
  C      -6.628997      4.089233      5.872837
  C      -7.493378      3.646404      4.776273
  N      -6.983187      2.792797      3.886249
  C      -7.770630      2.403474      2.859304
  N      -9.010046      2.785155      2.598458
  C      -9.567674      3.645425      3.501610
  C     -10.910598      4.060878      3.311790
  C     -11.517967      4.890811      4.229261
  C     -10.807900      5.347326      5.364818
  C      -9.495415      4.971489      5.566086
  C      -8.843210      4.115900      4.642865
  C      -0.136267      1.020694      4.117598
  C      -0.159895     -0.438232      4.461991
  C      -0.928354     -1.424805      3.945525
  C      -1.870286     -1.330585      2.836674
  N      -1.709907     -0.365096      1.922822
  C      -2.619495     -0.297292      0.921212
  N      -3.647417     -1.091600      0.696979
  C      -3.831801     -2.096932      1.607167
  C      -4.927253     -2.978534      1.437664
  C      -5.152326     -3.991371      2.347572
  C      -4.296193     -4.155358      3.460353
  C      -3.223826     -3.306583      3.650152
  C      -2.958559     -2.265825      2.726143
  C      -3.164907     -0.075072      7.727852
  C      -4.356174      0.215013      8.591193
  C      -5.669428      0.214997      8.269474
  C      -6.291377     -0.162665      7.003415
  N      -5.636490     -0.974132      6.167120
  C      -6.245542     -1.302595      5.003085
  N      -7.458747     -0.971131      4.598402
  C      -8.159712     -0.147067      5.433815
  C      -9.460446      0.263405      5.051761
  C     -10.179813      1.127776      5.850065
  C      -9.626270      1.615741      7.054650
  C      -8.362443      1.226911      7.452233
  C      -7.604692      0.324475      6.664825
  H      -4.869601      4.895186      7.649500
  H      -4.653933      3.197133      8.132557
  H      -5.180432      2.604123      5.593129
  H      -6.953545      4.952912      6.458706
  H      -7.316503      1.692746      2.162789
  H     -11.439675      3.687769      2.433534
  H     -12.555547      5.196751      4.084524
  H     -11.304323      5.998112      6.084925
  H      -8.966091      5.319686      6.453234
  H       0.829259      1.268851      3.631206
  H      -0.913000      1.243281      3.371111
  H       0.466443     -0.697595      5.323741
  H      -0.869877     -2.399477      4.436162
  H      -2.464820      0.516345      0.204039
  H      -5.581201     -2.818844      0.579521
  H      -6.003760     -4.661796      2.219272
  H      -4.494791     -4.949001      4.182150
  H      -2.593266     -3.431641      4.529870
  H      -2.595142     -0.926565      8.156309
  H      -3.479635     -0.371339      6.723342
  H      -4.110285      0.572541      9.597596
  H      -6.355118      0.583207      9.033760
  H      -5.660397     -1.935708      4.332277
  H      -9.854127     -0.103326      4.103014
  H     -11.173512      1.457146      5.541259
  H     -10.196828      2.317476      7.664699
  H      -7.940825      1.633232      8.371171
  N      -1.922982      3.913016      4.263340
  H      -1.056988      4.432040      4.094454
  H      -2.665698      4.585702      4.472279
  H      -2.169080      3.441587      3.387895
  N      -3.241177      1.379006      4.881329
  N      -3.862446      0.772976      4.128553
95
Coordinates from ORCA-job orca E -6310.861081823614
  N      -3.164065      3.980866      6.848402
  Mo     -2.101579      2.371375      6.108685
  N      -2.320016      1.129725      7.631502
  C      -1.429806      1.278635      8.774247
  C      -1.022747      2.736541      8.911541
  N      -0.658304      3.283329      7.572947
  C      -0.911286      4.737842      7.470462
  C      -2.412602      4.999808      7.566269
  C       0.733023      2.913728      7.200285
  C       0.816594      2.646905      5.704572
  N      -0.316398      1.828479      5.321558
  H      -2.619162      6.023534      7.189616
  H      -2.710241      5.022454      8.637171
  H      -0.518562      5.059800      6.495783
  H      -0.366995      5.297967      8.254240
  H       1.775483      2.140702      5.487714
  H       0.848450      3.608294      5.141705
  H       0.973702      1.982840      7.730573
  H       1.440047      3.693334      7.532992
  H      -1.901100      0.959657      9.722619
  H      -0.536017      0.630343      8.642953
  H      -1.881828      3.307049      9.283417
  H      -0.187621      2.868394      9.621448
  C      -4.551305      3.908268      7.305989
  C      -5.474462      3.482265      6.212232
  C      -6.629440      4.093225      5.896303
  C      -7.480921      3.652474      4.789275
  N      -6.951682      2.817782      3.892008
  C      -7.722612      2.439762      2.849729
  N      -8.959826      2.820601      2.577210
  C      -9.536922      3.658792      3.488806
  C     -10.877313      4.069438      3.284633
  C     -11.505581      4.874899      4.210043
  C     -10.819490      5.307584      5.369007
  C      -9.508302      4.935350      5.583353
  C      -8.833966      4.109449      4.650014
  C      -0.147199      1.019920      4.114066
  C      -0.190932     -0.431410      4.488184
  C      -0.964492     -1.421361      3.985194
  C      -1.895468     -1.341576      2.866525
  N      -1.723043     -0.390086      1.939671
  C      -2.623871     -0.334140      0.929785
  N      -3.650270     -1.133421      0.704801
  C      -3.842342     -2.128910      1.623860
  C      -4.927543     -3.021812      1.446418
  C      -5.159000     -4.025649      2.364104
  C      -4.322629     -4.166338      3.495072
  C      -3.259523     -3.307410      3.692108
  C      -2.983468     -2.278690      2.757376
  C      -3.158642     -0.073899      7.684973
  C      -4.343059      0.195318      8.563521
  C      -5.659064      0.193657      8.252570
  C      -6.286109     -0.169334      6.984608
  N      -5.634940     -0.973217      6.139152
  C      -6.247514     -1.290175      4.973745
  N      -7.457645     -0.949363      4.572766
  C      -8.155453     -0.130597      5.417013
  C      -9.455438      0.288917      5.040281
  C     -10.175950      1.138658      5.853835
  C      -9.622827      1.607069      7.065966
  C      -8.358315      1.212591      7.456569
  C      -7.599951      0.322736      6.654399
  H      -4.875652      4.893135      7.688409
  H      -4.646742      3.194189      8.156489
  H      -5.181798      2.607728      5.627788
  H      -6.961060      4.956680      6.477730
  H      -7.255441      1.736327      2.149858
  H     -11.387044      3.714011      2.388329
  H     -12.541572      5.179721      4.053585
  H     -11.333320      5.937693      6.096965
  H      -8.997901      5.265399      6.487735
  H       0.823955      1.244447      3.630066
  H      -0.916395      1.238710      3.359521
  H       0.423754     -0.678654      5.360777
  H      -0.921049     -2.384682      4.496501
  H      -2.463780      0.472531      0.205511
  H      -5.567398     -2.878902      0.574899
  H      -6.000825     -4.706016      2.228325
  H      -4.528790     -4.950020      4.225227
  H      -2.643921     -3.415761      4.584402
  H      -2.579343     -0.930465      8.089861
  H      -3.481137     -0.355110      6.677764
  H      -4.090571      0.538063      9.574050
  H      -6.340977      0.544916      9.028888
  H      -5.668737     -1.928344      4.300213
  H      -9.849761     -0.064529      4.086979
  H     -11.170091      1.469344      5.552078
  H     -10.195251      2.296037      7.689091
  H      -7.934695      1.604076      8.380979
  N      -1.922789      3.961962      4.274210
  H      -1.049656      4.469865      4.112948
  H      -2.658129      4.641140      4.483754
  H      -2.171675      3.500473      3.394905
  N      -3.249073      1.419325      4.856676
  N      -3.872190      0.818297      4.100527
95
Coordinates from ORCA-job orca E -6310.861149863200
  N      -3.167954      3.982782      6.848046
  Mo     -2.103844      2.377725      6.098161
  N      -2.324120      1.129626      7.615038
  C      -1.434115      1.273982      8.759325
  C      -1.028114      2.731872      8.903636
  N      -0.662135      3.284145      7.567719
  C      -0.915416      4.739113      7.471187
  C      -2.417034      4.999247      7.570097
  C       0.730104      2.916796      7.194954
  C       0.815176      2.653017      5.698930
  N      -0.317904      1.836356      5.312004
  H      -2.624249      6.025308      7.198797
  H      -2.714058      5.016342      8.641305
  H      -0.524082      5.066159      6.497633
  H      -0.370729      5.296604      8.256887
  H       1.774210      2.147122      5.482265
  H       0.849194      3.615696      5.138761
  H       0.971848      1.985803      7.724267
  H       1.435855      3.697290      7.529184
  H      -1.905212      0.949982      9.706058
  H      -0.539227      0.627085      8.624326
  H      -1.887877      3.301131      9.276992
  H      -0.193518      2.861157      9.615368
  C      -4.552606      3.900410      7.314158
  C      -5.478347      3.477882      6.219972
  C      -6.631904      4.092850      5.905488
  C      -7.485124      3.658476      4.796767
  N      -6.956451      2.828819      3.893568
  C      -7.728644      2.456140      2.849754
  N      -8.965307      2.840693      2.579055
  C      -9.542214      3.672689      3.497245
  C     -10.882127      4.086007      3.295905
  C     -11.510143      4.884598      4.228908
  C     -10.824702      5.303778      5.393787
  C      -9.513676      4.929241      5.605033
  C      -8.839037      4.114234      4.662640
  C      -0.146589      1.019501      4.110864
  C      -0.189051     -0.428474      4.497001
  C      -0.960617     -1.423120      4.000927
  C      -1.887837     -1.353195      2.878557
  N      -1.711639     -0.411491      1.942546
  C      -2.607660     -0.366529      0.927727
  N      -3.629654     -1.171220      0.703834
  C      -3.825152     -2.157529      1.632144
  C      -4.905785     -3.056545      1.456389
  C      -5.141695     -4.050475      2.384019
  C      -4.314981     -4.174552      3.523835
  C      -3.256237     -3.309529      3.719278
  C      -2.974671     -2.291807      2.773860
  C      -3.161021     -0.075624      7.661476
  C      -4.343482      0.186369      8.544172
  C      -5.659873      0.188394      8.234400
  C      -6.288706     -0.164226      6.964266
  N      -5.638140     -0.962117      6.111638
  C      -6.251286     -1.268755      4.943678
  N      -7.461650     -0.921206      4.545371
  C      -8.158677     -0.110403      5.397816
  C      -9.458486      0.311370      5.025911
  C     -10.179676      1.150556      5.849092
  C      -9.626455      1.605672      7.066597
  C      -8.361600      1.209212      7.452273
  C      -7.603024      0.330477      6.639707
  H      -4.880780      4.882616      7.707027
  H      -4.639367      3.177460      8.161267
  H      -5.187814      2.603079      5.634268
  H      -6.960639      4.956508      6.488848
  H      -7.262222      1.761178      2.144279
  H     -11.391432      3.738775      2.395348
  H     -12.545595      5.192014      4.074581
  H     -11.338764      5.924284      6.128963
  H      -9.003713      5.247173      6.514291
  H       0.824681      1.241652      3.625797
  H      -0.915578      1.231671      3.354683
  H       0.423980     -0.667135      5.372835
  H      -0.918210     -2.381842      4.520100
  H      -2.445373      0.433527      0.196680
  H      -5.539329     -2.925870      0.578165
  H      -5.980437     -4.735564      2.249366
  H      -4.525818     -4.949634      4.262459
  H      -2.649136     -3.404050      4.618840
  H      -2.579479     -0.934066      8.058005
  H      -3.485855     -0.349979      6.653281
  H      -4.089656      0.521582      9.556947
  H      -6.340488      0.534102      9.014265
  H      -5.673213     -1.901486      4.264641
  H      -9.852621     -0.031225      4.068638
  H     -11.175218      1.486973      5.549945
  H     -10.199981      2.289331      7.696895
  H      -7.938381      1.591832      8.380564
  N      -1.919368      3.977419      4.273765
  H      -1.042183      4.480057      4.114429
  H      -2.650404      4.661364      4.484636
  H      -2.170457      3.520318      3.392877
  N      -3.249053      1.428993      4.841499
  N      -3.867563      0.828588      4.082116
95
Coordinates from ORCA-job orca E -6310.861233168118
  N      -3.172632      3.982462      6.844445
  Mo     -2.105703      2.380430      6.089914
  N      -2.327172      1.126971      7.601886
  C      -1.436700      1.267246      8.747221
  C      -1.033870      2.725605      8.898621
  N      -0.668195      3.283950      7.565054
  C      -0.922914      4.739639      7.474511
  C      -2.425460      4.996565      7.573209
  C       0.725658      2.920001      7.192419
  C       0.812195      2.657955      5.696408
  N      -0.318102      1.839492      5.306432
  H      -2.633775      6.024483      7.207747
  H      -2.723997      5.006558      8.643535
  H      -0.532104      5.072716      6.502732
  H      -0.379651      5.295077      8.263455
  H       1.772974      2.155225      5.480460
  H       0.845842      3.622270      5.138769
  H       0.969433      1.989595      7.722112
  H       1.429364      3.702552      7.526932
  H      -1.905572      0.935723      9.692191
  H      -0.539718      0.624251      8.606305
  H      -1.893972      3.292481      9.274453
  H      -0.199046      2.853112      9.610658
  C      -4.556487      3.892678      7.313140
  C      -5.483012      3.470928      6.219658
  C      -6.635424      4.088492      5.906753
  C      -7.490500      3.655921      4.798861
  N      -6.964127      2.827156      3.894479
  C      -7.738272      2.456174      2.851284
  N      -8.974011      2.843010      2.580701
  C      -9.548762      3.675526      3.499170
  C     -10.887526      4.095394      3.297704
  C     -11.512981      4.894459      4.231974
  C     -10.827036      5.308173      5.398705
  C      -9.517162      4.928796      5.610000
  C      -8.844223      4.112963      4.665841
  C      -0.144231      1.020145      4.108303
  C      -0.179407     -0.426974      4.499617
  C      -0.947702     -1.425345      4.007691
  C      -1.874956     -1.360671      2.884425
  N      -1.694458     -0.427898      1.940895
  C      -2.587415     -0.389666      0.922914
  N      -3.607957     -1.196415      0.700453
  C      -3.808266     -2.174409      1.636840
  C      -4.887204     -3.076198      1.463419
  C      -5.127846     -4.061421      2.399130
  C      -4.308386     -4.173511      3.545275
  C      -3.252008     -3.304928      3.738997
  C      -2.964015     -2.297478      2.784550
  C      -3.162206     -0.080958      7.642059
  C      -4.341990      0.170893      8.532133
  C      -5.659506      0.177484      8.225245
  C      -6.292390     -0.162323      6.953652
  N      -5.644852     -0.950481      6.089136
  C      -6.261499     -1.242137      4.918812
  N      -7.473455     -0.888061      4.527957
  C      -8.166969     -0.088420      5.393040
  C      -9.467833      0.339118      5.029733
  C     -10.186101      1.168862      5.865167
  C      -9.628476      1.608052      7.087582
  C      -8.362711      1.207132      7.464626
  C      -7.607167      0.337644      6.638785
  H      -4.887936      4.871928      7.711154
  H      -4.637335      3.165642      8.157824
  H      -5.193334      2.596881      5.633389
  H      -6.961347      4.952699      6.490966
  H      -7.274315      1.757290      2.147373
  H     -11.397457      3.752984      2.395625
  H     -12.546802      5.208263      4.076748
  H     -11.339484      5.930232      6.135051
  H      -9.006499      5.241819      6.521033
  H       0.825277      1.245376      3.621262
  H      -0.914126      1.224858      3.352008
  H       0.436565     -0.660039      5.375357
  H      -0.901656     -2.383029      4.529160
  H      -2.421036      0.404105      0.186100
  H      -5.515348     -2.954729      0.580003
  H      -5.963777     -4.749393      2.265068
  H      -4.522629     -4.941742      4.289878
  H      -2.651376     -3.388415      4.644297
  H      -2.576679     -0.941509      8.028391
  H      -3.491574     -0.346511      6.633515
  H      -4.085759      0.496346      9.547325
  H      -6.338242      0.516945      9.009716
  H      -5.685406     -1.862671      4.229287
  H      -9.864745      0.008378      4.069117
  H     -11.182774      1.510017      5.573080
  H     -10.199555      2.281506      7.728375
  H      -7.937415      1.577344      8.397464
  N      -1.914526      3.985054      4.274817
  H      -1.035822      4.486066      4.120594
  H      -2.643433      4.671147      4.482238
  H      -2.160645      3.531648      3.391333
  N      -3.246926      1.430611      4.829749
  N      -3.858827      0.829393      4.065430
95
Coordinates from ORCA-job orca E -6310.861321374988
  N      -3.174526      3.988916      6.844932
  Mo     -2.108189      2.390631      6.077851
  N      -2.329923      1.123970      7.578395
  C      -1.435182      1.251339      8.722360
  C      -1.034235      2.708569      8.889559
  N      -0.672300      3.282737      7.561645
  C      -0.927387      4.739771      7.489413
  C      -2.430969      4.993821      7.589580
  C       0.723365      2.925885      7.183780
  C       0.806788      2.672064      5.686408
  N      -0.319767      1.850576      5.294890
  H      -2.639250      6.026652      7.238671
  H      -2.732063      4.987618      8.658919
  H      -0.536962      5.086397      6.522407
  H      -0.384879      5.285587      8.285545
  H       1.769873      2.176076      5.465578
  H       0.835938      3.641224      5.136677
  H       0.972097      1.994366      7.709159
  H       1.424753      3.710531      7.519495
  H      -1.898223      0.905052      9.664526
  H      -0.536916      0.613836      8.566991
  H      -1.892741      3.270820      9.274819
  H      -0.196719      2.828527      9.599453
  C      -4.559202      3.897569      7.311113
  C      -5.485171      3.473939      6.218919
  C      -6.634907      4.094174      5.903063
  C      -7.490080      3.658255      4.796880
  N      -6.962521      2.830660      3.892855
  C      -7.737757      2.453059      2.853123
  N      -8.974453      2.836442      2.582668
  C      -9.550301      3.669768      3.499202
  C     -10.890205      4.088463      3.298689
  C     -11.516175      4.887556      4.232898
  C     -10.831546      5.301036      5.400170
  C      -9.520890      4.922541      5.611054
  C      -8.846103      4.108941      4.665335
  C      -0.141835      1.017570      4.107504
  C      -0.182969     -0.425047      4.516372
  C      -0.951497     -1.425895      4.032797
  C      -1.871258     -1.371020      2.903100
  N      -1.681203     -0.451438      1.949597
  C      -2.564471     -0.422886      0.923633
  N      -3.581206     -1.232205      0.699244
  C      -3.790499     -2.199294      1.645232
  C      -4.866533     -3.104548      1.471261
  C      -5.117761     -4.078008      2.416936
  C      -4.311316     -4.174921      3.573380
  C      -3.258421     -3.301587      3.768154
  C      -2.960060     -2.306876      2.804148
  C      -3.163312     -0.084467      7.608634
  C      -4.335982      0.150492      8.510448
  C      -5.655623      0.162652      8.209351
  C      -6.294299     -0.154212      6.934098
  N      -5.648643     -0.921165      6.049139
  C      -6.269685     -1.187219      4.874537
  N      -7.484774     -0.829225      4.497128
  C      -8.176200     -0.051734      5.383140
  C      -9.480678      0.378376      5.035045
  C     -10.198375      1.185689      5.891779
  C      -9.636476      1.601633      7.121530
  C      -8.366679      1.196203      7.484608
  C      -7.611460      0.348367      6.636043
  H      -4.890810      4.876057      7.708202
  H      -4.638519      3.172359      8.156443
  H      -5.195667      2.598756      5.636145
  H      -6.958415      4.960730      6.484522
  H      -7.273412      1.753220      2.152589
  H     -11.399613      3.746166      2.396654
  H     -12.549565      5.202562      4.076935
  H     -11.345017      5.922729      6.137077
  H      -9.010432      5.234022      6.522944
  H       0.831132      1.233576      3.622776
  H      -0.906642      1.214408      3.343495
  H       0.429607     -0.648143      5.396686
  H      -0.910874     -2.378017      4.564692
  H      -2.390793      0.362482      0.179963
  H      -5.485377     -2.994717      0.579518
  H      -5.952572     -4.769000      2.282009
  H      -4.533285     -4.934501      4.324982
  H      -2.669129     -3.370978      4.682319
  H      -2.572302     -0.946896      7.977889
  H      -3.502470     -0.334292      6.600126
  H      -4.075092      0.457125      9.530777
  H      -6.332309      0.487360      9.003517
  H      -5.693549     -1.791969      4.168765
  H      -9.880104      0.066921      4.068565
  H     -11.197352      1.527570      5.612505
  H     -10.208109      2.260559      7.779374
  H      -7.940925      1.546565      8.425302
  N      -1.908294      4.003921      4.279668
  H      -1.029599      4.512864      4.144223
  H      -2.645705      4.687674      4.471274
  H      -2.131008      3.550848      3.389233
  N      -3.244444      1.443577      4.810143
  N      -3.848007      0.844418      4.037732
95
Coordinates from ORCA-job orca E -6310.861376775651
  N      -3.172545      3.996841      6.840439
  Mo     -2.108643      2.400239      6.067439
  N      -2.335831      1.126889      7.561234
  C      -1.441066      1.246146      8.706104
  C      -1.038843      2.701701      8.882403
  N      -0.674481      3.282795      7.557961
  C      -0.926301      4.740474      7.494982
  C      -2.429754      4.996407      7.592660
  C       0.721425      2.926080      7.180292
  C       0.805259      2.678439      5.681718
  N      -0.320471      1.858577      5.287303
  H      -2.636155      6.031222      7.247510
  H      -2.733133      4.983332      8.661043
  H      -0.532814      5.092633      6.531205
  H      -0.384649      5.279229      8.295829
  H       1.768603      2.184148      5.458900
  H       0.833954      3.650741      5.137203
  H       0.968687      1.992521      7.702378
  H       1.423020      3.708508      7.518990
  H      -1.903831      0.893564      9.645973
  H      -0.542924      0.609668      8.546238
  H      -1.897132      3.263328      9.270054
  H      -0.201707      2.816217      9.593879
  C      -4.556839      3.903047      7.307648
  C      -5.485270      3.479210      6.218228
  C      -6.632040      4.105161      5.902469
  C      -7.491691      3.670896      4.799010
  N      -6.967864      2.843428      3.892078
  C      -7.748244      2.465656      2.856122
  N      -8.985964      2.849682      2.591418
  C      -9.557740      3.682044      3.510765
  C     -10.899110      4.097276      3.318418
  C     -11.521311      4.894448      4.257045
  C     -10.832015      5.305968      5.422165
  C      -9.520126      4.928718      5.625846
  C      -8.848941      4.120420      4.674293
  C      -0.138092      1.016838      4.107507
  C      -0.178941     -0.422791      4.527951
  C      -0.947033     -1.426849      4.051676
  C      -1.862361     -1.381075      2.917847
  N      -1.662146     -0.474903      1.953846
  C      -2.537794     -0.457314      0.921046
  N      -3.556184     -1.267184      0.699582
  C      -3.776055     -2.220707      1.657123
  C      -4.851973     -3.126434      1.486340
  C      -5.112781     -4.085953      2.443408
  C      -4.318275     -4.167139      3.608979
  C      -3.265977     -3.292535      3.800941
  C      -2.955272     -2.313860      2.824366
  C      -3.166706     -0.084120      7.581445
  C      -4.338891      0.136635      8.488794
  C      -5.658956      0.147124      8.188957
  C      -6.297663     -0.157982      6.911444
  N      -5.648837     -0.910380      6.016253
  C      -6.268814     -1.166840      4.840071
  N      -7.486013     -0.811380      4.469147
  C      -8.180925     -0.046412      5.364745
  C      -9.487827      0.382527      5.022856
  C     -10.208535      1.177934      5.888615
  C      -9.647747      1.581346      7.122549
  C      -8.376057      1.178416      7.479313
  C      -7.617149      0.343299      6.620721
  H      -4.887997      4.880498      7.704870
  H      -4.633643      3.178183      8.152592
  H      -5.199737      2.601411      5.637590
  H      -6.949600      4.974157      6.483291
  H      -7.287563      1.765262      2.154400
  H     -11.412734      3.754800      2.418789
  H     -12.555548      5.207747      4.106765
  H     -11.342806      5.923553      6.163042
  H      -9.005532      5.237983      6.536079
  H       0.835398      1.230384      3.623564
  H      -0.901230      1.205795      3.339490
  H       0.433028     -0.638169      5.410641
  H      -0.908436     -2.374550      4.591454
  H      -2.356777      0.318371      0.168960
  H      -5.462438     -3.028492      0.587604
  H      -5.946291     -4.778054      2.309979
  H      -4.548657     -4.915648      4.369089
  H      -2.685592     -3.348527      4.721631
  H      -2.571715     -0.949443      7.940245
  H      -3.507838     -0.322563      6.570560
  H      -4.078430      0.432631      9.511986
  H      -6.336578      0.461942      8.985738
  H      -5.690504     -1.752436      4.124487
  H      -9.885720      0.079283      4.053574
  H     -11.208565      1.517085      5.614987
  H     -10.221303      2.224632      7.789457
  H      -7.953031      1.517236      8.425157
  N      -1.900637      4.018685      4.280829
  H      -1.018910      4.521430      4.148281
  H      -2.632332      4.707828      4.470152
  H      -2.122835      3.569803      3.388520
  N      -3.239469      1.456322      4.791947
  N      -3.839077      0.861504      4.012383
95
Coordinates from ORCA-job orca E -6310.861430722112
  N      -3.170565      4.002428      6.836000
  Mo     -2.107305      2.406601      6.060539
  N      -2.338050      1.128312      7.549914
  C      -1.444545      1.243267      8.696667
  C      -1.041127      2.697571      8.878807
  N      -0.674332      3.282790      7.556581
  C      -0.924475      4.741341      7.498997
  C      -2.427868      4.999013      7.592697
  C       0.721811      2.925516      7.180241
  C       0.806787      2.682849      5.679894
  N      -0.318970      1.864380      5.282646
  H      -2.633326      6.034492      7.249865
  H      -2.733209      4.982773      8.660394
  H      -0.527470      5.096029      6.537335
  H      -0.383823      5.275922      8.303806
  H       1.770586      2.189521      5.455337
  H       0.834142      3.657426      5.139021
  H       0.967332      1.989470      7.698894
  H       1.423748      3.705556      7.523049
  H      -1.909051      0.888765      9.635149
  H      -0.546549      0.605763      8.537246
  H      -1.899857      3.258851      9.267066
  H      -0.204991      2.808406      9.592415
  C      -4.555239      3.907706      7.302914
  C      -5.484670      3.483463      6.215122
  C      -6.629280      4.112421      5.898715
  C      -7.492602      3.678050      4.798218
  N      -6.972657      2.852873      3.887704
  C      -7.758322      2.477189      2.854511
  N      -8.997894      2.859828      2.597360
  C      -9.564996      3.690216      3.520434
  C     -10.908478      4.104184      3.336409
  C     -11.526602      4.897458      4.279719
  C     -10.830888      5.307915      5.441228
  C      -9.517111      4.932750      5.636781
  C      -8.850505      4.127216      4.680574
  C      -0.132432      1.015043      4.108874
  C      -0.175504     -0.422182      4.538458
  C      -0.944967     -1.428428      4.067910
  C      -1.856560     -1.388669      2.930696
  N      -1.647929     -0.492231      1.959299
  C      -2.517716     -0.482245      0.921185
  N      -3.537005     -1.291458      0.701670
  C      -3.766204     -2.233963      1.667718
  C      -4.844870     -3.136894      1.500105
  C      -5.115608     -4.084435      2.466347
  C      -4.329591     -4.155386      3.638338
  C      -3.274349     -3.283449      3.827072
  C      -2.953251     -2.317710      2.841148
  C      -3.166285     -0.085092      7.562322
  C      -4.339536      0.127328      8.470019
  C      -5.658730      0.136662      8.169214
  C      -6.297118     -0.157579      6.888475
  N      -5.645508     -0.896200      5.984772
  C      -6.266659     -1.144043      4.807117
  N      -7.487149     -0.795654      4.443006
  C      -8.184947     -0.045457      5.347416
  C      -9.495477      0.375700      5.013178
  C     -10.218215      1.161561      5.886517
  C      -9.656410      1.560173      7.121348
  C      -8.381384      1.162477      7.471312
  C      -7.619792      0.338131      6.604680
  H      -4.885860      4.885147      7.698413
  H      -4.632315      3.184067      8.148140
  H      -5.201884      2.603238      5.636799
  H      -6.942982      4.983254      6.478581
  H      -7.301705      1.772647      2.151352
  H     -11.427558      3.762530      2.439835
  H     -12.562870      5.209133      4.135881
  H     -11.338467      5.923891      6.185313
  H      -8.997298      5.242853      6.543576
  H       0.842228      1.225642      3.626498
  H      -0.893438      1.198896      3.337087
  H       0.435683     -0.632912      5.423184
  H      -0.909327     -2.372860      4.614157
  H      -2.330942      0.285971      0.162882
  H      -5.448941     -3.046746      0.596537
  H      -5.950364     -4.774769      2.334926
  H      -4.568623     -4.894227      4.405170
  H      -2.699921     -3.331100      4.751761
  H      -2.569778     -0.951658      7.916750
  H      -3.505476     -0.318053      6.549446
  H      -4.081080      0.415755      9.495822
  H      -6.337452      0.442859      8.968426
  H      -5.684831     -1.723056      4.084747
  H      -9.894064      0.077193      4.042379
  H     -11.220982      1.498114      5.617835
  H     -10.231827      2.196044      7.794895
  H      -7.958783      1.497032      8.419315
  N      -1.894877      4.028024      4.281148
  H      -1.011601      4.528084      4.150429
  H      -2.624537      4.719532      4.468852
  H      -2.116839      3.580937      3.387726
  N      -3.234171      1.467446      4.778577
  N      -3.832161      0.877338      3.994019
95
Coordinates from ORCA-job orca E -6310.861499363994
  N      -3.169377      4.007446      6.841222
  Mo     -2.107844      2.417650      6.053932
  N      -2.335336      1.125383      7.532128
  C      -1.438414      1.228584      8.675502
  C      -1.033012      2.679380      8.871409
  N      -0.670989      3.280218      7.554985
  C      -0.922863      4.738901      7.515363
  C      -2.426032      4.994546      7.610548
  C       0.724713      2.929534      7.172442
  C       0.804464      2.700669      5.669086
  N      -0.320338      1.880342      5.272290
  H      -2.633283      6.033677      7.279774
  H      -2.731682      4.964587      8.678443
  H      -0.524422      5.104451      6.558255
  H      -0.382152      5.262593      8.326656
  H       1.768863      2.214085      5.434100
  H       0.821870      3.680220      5.137562
  H       0.973734      1.988387      7.679780
  H       1.425743      3.707522      7.521504
  H      -1.900883      0.866838      9.612442
  H      -0.542822      0.590809      8.509246
  H      -1.889652      3.235061      9.269633
  H      -0.195278      2.780866      9.582351
  C      -4.556436      3.913679      7.303927
  C      -5.482949      3.491079      6.212264
  C      -6.625624      4.120339      5.890262
  C      -7.486850      3.683051      4.789064
  N      -6.963412      2.860449      3.878756
  C      -7.748462      2.480103      2.846572
  N      -8.991190      2.854113      2.592838
  C      -9.560510      3.684049      3.515145
  C     -10.907863      4.087575      3.334638
  C     -11.529122      4.876764      4.277877
  C     -10.832116      5.299502      5.434375
  C      -9.515092      4.936144      5.626415
  C      -8.846361      4.128417      4.672084
  C      -0.127867      1.015107      4.110845
  C      -0.185744     -0.416437      4.557255
  C      -0.960321     -1.423413      4.094698
  C      -1.863235     -1.391387      2.950961
  N      -1.644058     -0.505171      1.972262
  C      -2.505771     -0.503186      0.927555
  N      -3.525081     -1.311078      0.708808
  C      -3.765072     -2.242472      1.682446
  C      -4.847223     -3.141497      1.516446
  C      -5.129809     -4.077169      2.490957
  C      -4.352071     -4.139335      3.669347
  C      -3.292753     -3.271556      3.856213
  C      -2.961797     -2.317495      2.862987
  C      -3.159982     -0.089549      7.534645
  C      -4.330777      0.110407      8.447208
  C      -5.650474      0.117721      8.151079
  C      -6.292570     -0.159158      6.868912
  N      -5.641382     -0.881953      5.952002
  C      -6.266708     -1.116642      4.774481
  N      -7.491336     -0.770340      4.422135
  C      -8.189561     -0.034806      5.339830
  C      -9.504910      0.385201      5.018047
  C     -10.225653      1.158939      5.903826
  C      -9.658616      1.547251      7.138333
  C      -8.379391      1.149518      7.476636
  C      -7.618507      0.336023      6.597766
  H      -4.886796      4.893620      7.697652
  H      -4.639126      3.189930      8.150195
  H      -5.199973      2.608499      5.636290
  H      -6.940386      4.992210      6.467667
  H      -7.289462      1.777362      2.143093
  H     -11.428408      3.737667      2.442292
  H     -12.569135      5.176267      4.137813
  H     -11.341891      5.916168      6.177069
  H      -8.994295      5.257806      6.528343
  H       0.852856      1.213245      3.635687
  H      -0.880816      1.194706      3.329178
  H       0.419084     -0.621426      5.447429
  H      -0.935426     -2.361199      4.652721
  H      -2.312130      0.257153      0.163066
  H      -5.444657     -3.058185      0.608014
  H      -5.968141     -4.764316      2.361212
  H      -4.601436     -4.868383      4.442027
  H      -2.723900     -3.312942      4.784352
  H      -2.560400     -0.958206      7.879348
  H      -3.500079     -0.313793      6.519951
  H      -4.069858      0.386264      9.475251
  H      -6.327569      0.409614      8.955792
  H      -5.684696     -1.680948      4.040299
  H      -9.907282      0.095504      4.046420
  H     -11.230513      1.493389      5.644820
  H     -10.233085      2.174636      7.822902
  H      -7.954110      1.475096      8.426379
  N      -1.895697      4.046743      4.288803
  H      -1.014654      4.554006      4.169450
  H      -2.632958      4.732991      4.468391
  H      -2.104391      3.600632      3.391424
  N      -3.229690      1.488899      4.760478
  N      -3.825926      0.907013      3.968541
95
Coordinates from ORCA-job orca E -6310.861561780001
  N      -3.171775      4.009074      6.844312
  Mo     -2.107714      2.427145      6.044787
  N      -2.331324      1.119714      7.510614
  C      -1.432930      1.213362      8.653440
  C      -1.030064      2.663345      8.863685
  N      -0.670078      3.277713      7.552799
  C      -0.925726      4.736509      7.528443
  C      -2.429027      4.987938      7.625396
  C       0.725956      2.933653      7.166679
  C       0.803633      2.717034      5.660518
  N      -0.319769      1.895320      5.260991
  H      -2.639180      6.030130      7.306332
  H      -2.734792      4.944939      8.692950
  H      -0.527045      5.112852      6.575476
  H      -0.385868      5.251857      8.345901
  H       1.769121      2.236776      5.417631
  H       0.813143      3.700945      5.137234
  H       0.978243      1.988225      7.664714
  H       1.425039      3.710321      7.522581
  H      -1.894666      0.843906      9.587988
  H      -0.536828      0.576796      8.482232
  H      -1.888825      3.213212      9.267573
  H      -0.192287      2.759761      9.576740
  C      -4.560196      3.913813      7.302190
  C      -5.484259      3.490353      6.209348
  C      -6.625504      4.119694      5.883123
  C      -7.485051      3.680257      4.781259
  N      -6.958268      2.859239      3.870734
  C      -7.741825      2.476367      2.838108
  N      -8.986392      2.846892      2.585575
  C      -9.558300      3.674398      3.508410
  C     -10.907734      4.070731      3.329015
  C     -11.532192      4.858312      4.272122
  C     -10.835319      5.285597      5.426991
  C      -9.516456      4.927495      5.618427
  C      -8.845446      4.121856      4.664804
  C      -0.120869      1.013869      4.112925
  C      -0.190221     -0.411922      4.576256
  C      -0.969057     -1.420130      4.122336
  C      -1.864070     -1.395726      2.972122
  N      -1.630131     -0.522936      1.984524
  C      -2.483109     -0.528618      0.932515
  N      -3.506704     -1.332689      0.715331
  C      -3.762105     -2.249593      1.698422
  C      -4.847451     -3.144080      1.533148
  C      -5.144966     -4.064637      2.517179
  C      -4.380242     -4.114643      3.704631
  C      -3.317324     -3.252136      3.890609
  C      -2.969450     -2.314833      2.887238
  C      -3.151421     -0.097432      7.500853
  C      -4.318356      0.087073      8.421231
  C      -5.639221      0.096763      8.131297
  C      -6.287625     -0.156102      6.847104
  N      -5.641327     -0.861769      5.913431
  C      -6.274623     -1.077981      4.736235
  N      -7.502973     -0.731417      4.399186
  C      -8.196444     -0.013489      5.334126
  C      -9.514689      0.404422      5.029425
  C     -10.228411      1.165552      5.930872
  C      -9.651468      1.539449      7.165214
  C      -8.369474      1.139868      7.488105
  C      -7.615593      0.341330      6.592422
  H      -4.891917      4.893835      7.692718
  H      -4.646193      3.191733      8.148274
  H      -5.201626      2.605544      5.636286
  H      -6.940916      4.993457      6.457689
  H      -7.279922      1.782298      2.131214
  H     -11.428316      3.717088      2.438302
  H     -12.574546      5.150288      4.134048
  H     -11.347328      5.899387      6.169160
  H      -8.995943      5.252715      6.518587
  H       0.864857      1.202014      3.645004
  H      -0.865464      1.186445      3.322553
  H       0.408505     -0.609995      5.471854
  H      -0.953862     -2.351054      4.692033
  H      -2.277624      0.221067      0.160473
  H      -5.435657     -3.069626      0.617895
  H      -5.986330     -4.747971      2.388327
  H      -4.643429     -4.830161      4.484852
  H      -2.757891     -3.284597      4.824687
  H      -2.548265     -0.968739      7.831998
  H      -3.493690     -0.310743      6.484409
  H      -4.053258      0.344208      9.453650
  H      -6.313395      0.370308      8.945450
  H      -5.696379     -1.627045      3.988121
  H      -9.924175      0.127540      4.056857
  H     -11.236133      1.505074      5.683002
  H     -10.220833      2.158424      7.862985
  H      -7.937132      1.454019      8.438837
  N      -1.894576      4.066369      4.295996
  H      -1.015318      4.579527      4.188063
  H      -2.637930      4.747745      4.469626
  H      -2.091381      3.623326      3.394398
  N      -3.225122      1.510490      4.739388
  N      -3.818377      0.937861      3.938304
95
Coordinates from ORCA-job orca E -6310.861622781243
  N      -3.172767      4.011798      6.847035
  Mo     -2.107046      2.440263      6.030467
  N      -2.329336      1.115944      7.481518
  C      -1.431522      1.198269      8.625641
  C      -1.029873      2.647111      8.851739
  N      -0.669049      3.274812      7.547699
  C      -0.926283      4.733548      7.537637
  C      -2.429321      4.981756      7.639023
  C       0.726965      2.935911      7.158706
  C       0.804066      2.734869      5.649976
  N      -0.319688      1.916173      5.243502
  H      -2.640815      6.027614      7.332380
  H      -2.734750      4.926254      8.706253
  H      -0.528265      5.120477      6.588763
  H      -0.386398      5.240647      8.360145
  H       1.769411      2.258780      5.399318
  H       0.810103      3.723985      5.137085
  H       0.979909      1.984878      7.645776
  H       1.425273      3.709045      7.524083
  H      -1.894516      0.820353      9.556275
  H      -0.534858      0.562691      8.449757
  H      -1.890328      3.191939      9.260459
  H      -0.192905      2.737110      9.567896
  C      -4.560674      3.913914      7.304602
  C      -5.484541      3.490283      6.210562
  C      -6.624456      4.121953      5.882281
  C      -7.485520      3.686252      4.779374
  N      -6.956846      2.874104      3.861751
  C      -7.741268      2.494601      2.827939
  N      -8.988951      2.858568      2.582474
  C      -9.562948      3.674774      3.514065
  C     -10.915696      4.061340      3.342755
  C     -11.541858      4.840550      4.293939
  C     -10.842073      5.265326      5.448534
  C      -9.519910      4.913620      5.632678
  C      -8.848170      4.120017      4.671016
  C      -0.113818      1.011672      4.115263
  C      -0.199969     -0.403628      4.605521
  C      -0.982962     -1.413861      4.164283
  C      -1.864084     -1.405166      3.003485
  N      -1.615766     -0.549157      2.004728
  C      -2.455148     -0.570365      0.942162
  N      -3.477003     -1.375782      0.725065
  C      -3.747701     -2.274608      1.720348
  C      -4.834163     -3.168189      1.556881
  C      -5.149516     -4.068607      2.554198
  C      -4.400932     -4.099181      3.752475
  C      -3.335988     -3.238966      3.936270
  C      -2.971061     -2.321511      2.920614
  C      -3.145961     -0.102723      7.456826
  C      -4.310864      0.065247      8.382996
  C      -5.632712      0.076712      8.096975
  C      -6.284149     -0.155834      6.811425
  N      -5.641421     -0.844954      5.862950
  C      -6.280297     -1.041090      4.684839
  N      -7.511338     -0.691020      4.359813
  C      -8.201185      0.009648      5.310044
  C      -9.521658      0.430436      5.018571
  C     -10.230178      1.179576      5.934325
  C      -9.645815      1.536929      7.170230
  C      -8.361806      1.132496      7.481017
  C      -7.613447      0.346246      6.570273
  H      -4.894642      4.894847      7.696068
  H      -4.646235      3.190194      8.151022
  H      -5.205120      2.601808      5.640611
  H      -6.937779      4.998048      6.455602
  H      -7.277287      1.808116      2.113065
  H     -11.438302      3.709254      2.452031
  H     -12.587657      5.125659      4.163141
  H     -11.355042      5.870821      6.196827
  H      -8.997098      5.234918      6.533155
  H       0.879632      1.184322      3.656951
  H      -0.848090      1.175388      3.313147
  H       0.387145     -0.589070      5.511086
  H      -0.982169     -2.332915      4.753027
  H      -2.237885      0.165686      0.160555
  H      -5.410388     -3.108439      0.632687
  H      -5.993151     -4.749995      2.427507
  H      -4.679391     -4.797434      4.543153
  H      -2.789375     -3.256922      4.878289
  H      -2.540244     -0.977056      7.774708
  H      -3.489061     -0.304282      6.438164
  H      -4.042540      0.305040      9.418671
  H      -6.305137      0.333857      8.917284
  H      -5.705124     -1.576882      3.925054
  H      -9.936243      0.166836      4.044661
  H     -11.239081      1.521465      5.696545
  H     -10.210747      2.143993      7.880000
  H      -7.923478      1.433379      8.433151
  N      -1.894250      4.094576      4.299488
  H      -1.013508      4.605175      4.194434
  H      -2.635077      4.776807      4.477065
  H      -2.092438      3.657787      3.395629
  N      -3.222406      1.539163      4.712221
  N      -3.810576      0.976566      3.901226
95
Coordinates from ORCA-job orca E -6310.861678925357
  N      -3.175166      4.008246      6.847034
  Mo     -2.105065      2.443320      6.024172
  N      -2.327583      1.111490      7.468340
  C      -1.431714      1.188861      8.613681
  C      -1.031575      2.637652      8.846978
  N      -0.669716      3.271870      7.547096
  C      -0.929295      4.730474      7.539929
  C      -2.432943      4.976511      7.642276
  C       0.726989      2.935703      7.158354
  C       0.806739      2.741060      5.649340
  N      -0.316876      1.924747      5.236084
  H      -2.644484      6.023363      7.339136
  H      -2.739498      4.918524      8.708945
  H      -0.531789      5.120742      6.592506
  H      -0.391060      5.237611      8.363967
  H       1.772204      2.265665      5.397833
  H       0.814319      3.731989      5.140251
  H       0.979080      1.981961      7.641161
  H       1.424888      3.707157      7.529396
  H      -1.895749      0.805513      9.541243
  H      -0.534505      0.555467      8.435164
  H      -1.892342      3.178572      9.257964
  H      -0.195590      2.725090      9.563490
  C      -4.562188      3.908201      7.302506
  C      -5.484616      3.482440      6.208014
  C      -6.625394      4.113266      5.881620
  C      -7.487520      3.680572      4.778602
  N      -6.958364      2.873422      3.857198
  C      -7.742207      2.498842      2.821442
  N      -8.990775      2.861747      2.578086
  C      -9.566650      3.672022      3.514462
  C     -10.920276      4.058076      3.345562
  C     -11.546774      4.832490      4.300575
  C     -10.845659      5.256040      5.454644
  C      -9.522548      4.906539      5.636196
  C      -8.850775      4.114179      4.672479
  C      -0.107183      1.012366      4.114872
  C      -0.196428     -0.399661      4.613609
  C      -0.978754     -1.411266      4.176216
  C      -1.855095     -1.409232      3.011334
  N      -1.601005     -0.560071      2.008163
  C      -2.434439     -0.588139      0.940996
  N      -3.457141     -1.393522      0.724365
  C      -3.735756     -2.283451      1.725740
  C      -4.824452     -3.175341      1.564332
  C      -5.148417     -4.065455      2.567936
  C      -4.405975     -4.087947      3.770248
  C      -3.338277     -3.230802      3.951617
  C      -2.964534     -2.323051      2.930110
  C      -3.146254     -0.105795      7.438403
  C      -4.310038      0.057758      8.368546
  C      -5.632952      0.073865      8.085303
  C      -6.287544     -0.152282      6.800708
  N      -5.649548     -0.839350      5.846692
  C      -6.293585     -1.031906      4.670830
  N      -7.526541     -0.678667      4.353219
  C      -8.211129      0.020036      5.309249
  C      -9.532587      0.445051      5.025431
  C     -10.233959      1.193353      5.946644
  C      -9.641473      1.546884      7.180261
  C      -8.357466      1.138899      7.483923
  C      -7.616737      0.352201      6.567539
  H      -4.899494      4.888069      7.693627
  H      -4.646525      3.184355      8.148812
  H      -5.206772      2.593606      5.638710
  H      -6.938350      4.989423      6.455176
  H      -7.276166      1.819729      2.100894
  H     -11.443461      3.708855      2.454078
  H     -12.593485      5.117148      4.172481
  H     -11.358472      5.860777      6.205014
  H      -8.998710      5.225039      6.537575
  H       0.888637      1.181299      3.661168
  H      -0.837228      1.172182      3.308778
  H       0.384376     -0.579522      5.524264
  H      -0.982063     -2.325441      4.771703
  H      -2.210204      0.141035      0.154910
  H      -5.394853     -3.122222      0.636146
  H      -5.992751     -4.744708      2.442858
  H      -4.690861     -4.777135      4.566309
  H      -2.797079     -3.242668      4.897208
  H      -2.541212     -0.983729      7.750571
  H      -3.491411     -0.301310      6.418876
  H      -4.038322      0.290191      9.405109
  H      -6.303071      0.326807      8.909004
  H      -5.723277     -1.563277      3.906134
  H      -9.953145      0.184499      4.053344
  H     -11.243410      1.538655      5.714276
  H     -10.200697      2.156154      7.893048
  H      -7.911871      1.439485      8.432491
  N      -1.894199      4.107073      4.299834
  H      -1.013130      4.618518      4.194122
  H      -2.635093      4.788134      4.486553
  H      -2.096825      3.674655      3.394470
  N      -3.220435      1.550891      4.699390
  N      -3.805283      0.994092      3.881955
95
Coordinates from ORCA-job orca E -6310.861720731546
  N      -3.174913      4.004671      6.847084
  Mo     -2.101860      2.442859      6.022163
  N      -2.324389      1.106629      7.462578
  C      -1.429793      1.182135      8.609984
  C      -1.031825      2.631435      8.846707
  N      -0.669278      3.268782      7.548855
  C      -0.930393      4.726946      7.542142
  C      -2.434470      4.971669      7.644778
  C       0.728166      2.934199      7.159986
  C       0.809938      2.743254      5.651034
  N      -0.312468      1.928008      5.233007
  H      -2.645516      6.019343      7.344272
  H      -2.742143      4.912120      8.710923
  H      -0.533921      5.118488      6.594876
  H      -0.393728      5.235506      8.366553
  H       1.775816      2.268290      5.399996
  H       0.819574      3.735252      5.144033
  H       0.979332      1.979151      7.641093
  H       1.425916      3.704539      7.534011
  H      -1.893745      0.794684      9.535607
  H      -0.530997      0.551351      8.429556
  H      -1.893581      3.170170      9.258217
  H      -0.196452      2.718643      9.564059
  C      -4.562595      3.906414      7.297607
  C      -5.482213      3.478847      6.201168
  C      -6.624587      4.107953      5.877152
  C      -7.486958      3.675157      4.775001
  N      -6.957179      2.868543      3.853528
  C      -7.740332      2.492179      2.818682
  N      -8.990378      2.850579      2.576771
  C      -9.568136      3.660061      3.513628
  C     -10.922775      4.042814      3.346258
  C     -11.549072      4.818306      4.300147
  C     -10.846657      5.248409      5.450341
  C      -9.522584      4.902770      5.630530
  C      -8.850984      4.106948      4.669028
  C      -0.100573      1.011567      4.115984
  C      -0.193620     -0.399196      4.617748
  C      -0.975538     -1.410438      4.179451
  C      -1.848962     -1.409771      3.012051
  N      -1.592024     -0.561875      2.008501
  C      -2.421678     -0.590630      0.938772
  N      -3.445047     -1.394465      0.720585
  C      -3.728225     -2.281630      1.723477
  C      -4.819692     -3.169991      1.562070
  C      -5.149904     -4.055913      2.567304
  C      -4.409138     -4.079468      3.770569
  C      -3.337973     -3.226928      3.951293
  C      -2.959830     -2.321381      2.929418
  C      -3.147971     -0.107713      7.432228
  C      -4.310111      0.056416      8.363837
  C      -5.633652      0.077742      8.082788
  C      -6.291603     -0.146282      6.799136
  N      -5.657846     -0.832388      5.842516
  C      -6.307342     -1.025035      4.669673
  N      -7.542219     -0.674526      4.358597
  C      -8.222147      0.025927      5.316589
  C      -9.545168      0.450521      5.039533
  C     -10.240801      1.203632      5.962267
  C      -9.640760      1.562292      7.190822
  C      -8.356009      1.152012      7.489275
  C      -7.621699      0.360522      6.571091
  H      -4.902313      4.886267      7.686671
  H      -4.648755      3.184164      8.145429
  H      -5.204531      2.590507      5.631363
  H      -6.938773      4.982874      6.451611
  H      -7.271721      1.817689      2.096160
  H     -11.446410      3.689848      2.456720
  H     -12.596038      5.100315      4.173513
  H     -11.358798      5.855300      6.199307
  H      -8.997691      5.224904      6.530234
  H       0.897940      1.176838      3.666512
  H      -0.826636      1.170712      3.306443
  H       0.381478     -0.577388      5.532828
  H      -0.982070     -2.323032      4.777207
  H      -2.193010      0.136260      0.151785
  H      -5.388046     -3.116281      0.632535
  H      -5.999252     -4.730301      2.443441
  H      -4.698127     -4.764736      4.568825
  H      -2.799268     -3.239129      4.898392
  H      -2.545329     -0.987344      7.742395
  H      -3.496609     -0.300497      6.414020
  H      -4.035843      0.284994      9.400419
  H      -6.301329      0.330858      8.908904
  H      -5.740816     -1.557328      3.902481
  H      -9.971516      0.186427      4.071134
  H     -11.250931      1.547361      5.735082
  H     -10.194657      2.174481      7.903322
  H      -7.902924      1.455524      8.432962
  N      -1.892927      4.113042      4.299055
  H      -1.013055      4.623143      4.188415
  H      -2.629907      4.792808      4.496858
  H      -2.103559      3.686159      3.393818
  N      -3.219124      1.556497      4.694195
  N      -3.801334      1.003509      3.871937
95
Coordinates from ORCA-job orca E -6310.861758054065
  N      -3.173141      4.006443      6.846611
  Mo     -2.098772      2.449007      6.014637
  N      -2.323441      1.104049      7.446304
  C      -1.428441      1.171878      8.594175
  C      -1.031788      2.619620      8.840894
  N      -0.668451      3.266117      7.547970
  C      -0.929748      4.723270      7.549641
  C      -2.434159      4.968093      7.651490
  C       0.729860      2.934608      7.157385
  C       0.812338      2.750239      5.647911
  N      -0.308424      1.936169      5.225537
  H      -2.643228      6.018007      7.357534
  H      -2.743937      4.902476      8.716853
  H      -0.532493      5.119832      6.604839
  H      -0.395093      5.227824      8.377114
  H       1.778626      2.276966      5.395838
  H       0.822664      3.744589      5.145827
  H       0.981199      1.977912      7.634947
  H       1.427074      3.703740      7.534715
  H      -1.890736      0.775648      9.516642
  H      -0.528621      0.544961      8.407179
  H      -1.894267      3.154834      9.255699
  H      -0.196963      2.702347      9.559121
  C      -4.561837      3.907936      7.292377
  C      -5.479097      3.478665      6.194838
  C      -6.621755      4.108637      5.872742
  C      -7.486207      3.677565      4.771814
  N      -6.958203      2.874154      3.846689
  C      -7.744353      2.498814      2.813828
  N      -8.996845      2.852136      2.578213
  C      -9.573327      3.657330      3.519202
  C     -10.929803      4.035308      3.358786
  C     -11.553159      4.810375      4.315020
  C     -10.846250      5.243017      5.461162
  C      -9.520421      4.899474      5.635441
  C      -8.851685      4.105763      4.671038
  C      -0.092624      1.009628      4.118867
  C      -0.191173     -0.397541      4.631486
  C      -0.973456     -1.410012      4.196329
  C      -1.841145     -1.415370      3.024656
  N      -1.575264     -0.576973      2.015439
  C      -2.397470     -0.611887      0.940517
  N      -3.422807     -1.413506      0.722748
  C      -3.716623     -2.289729      1.732469
  C      -4.812494     -3.173174      1.572996
  C      -5.154367     -4.046680      2.584887
  C      -4.420997     -4.063207      3.792935
  C      -3.345404     -3.215891      3.971443
  C      -2.956001     -2.322058      2.943569
  C      -3.151429     -0.107669      7.409814
  C      -4.310803      0.051842      8.345158
  C      -5.634392      0.078074      8.066185
  C      -6.295274     -0.139914      6.782458
  N      -5.662615     -0.821065      5.821325
  C      -6.316760     -1.014074      4.651522
  N      -7.555461     -0.669884      4.348575
  C      -8.233536      0.026898      5.310762
  C      -9.560363      0.446098      5.042578
  C     -10.253141      1.196308      5.969566
  C      -9.646559      1.558838      7.193453
  C      -8.359312      1.152251      7.484308
  C      -7.627968      0.362664      6.561987
  H      -4.903948      4.886782      7.679414
  H      -4.649493      3.187490      8.141053
  H      -5.202143      2.589794      5.625472
  H      -6.935255      4.982362      6.449144
  H      -7.276087      1.824494      2.088592
  H     -11.456473      3.680914      2.471604
  H     -12.600905      5.091275      4.192769
  H     -11.355692      5.850138      6.211841
  H      -8.991929      5.223727      6.532442
  H       0.909253      1.168560      3.673164
  H      -0.814165      1.163355      3.304097
  H       0.377350     -0.569688      5.552404
  H      -0.985739     -2.318616      4.800666
  H      -2.161158      0.107403      0.148793
  H      -5.374459     -3.124936      0.639203
  H      -6.007316     -4.716363      2.462550
  H      -4.718160     -4.738114      4.596766
  H      -2.812761     -3.221737      4.922179
  H      -2.550220     -0.991475      7.711461
  H      -3.504685     -0.290518      6.391221
  H      -4.034567      0.271876      9.382992
  H      -6.299934      0.327843      8.894835
  H      -5.751958     -1.540520      3.879476
  H      -9.991889      0.180567      4.076924
  H     -11.266070      1.536543      5.748853
  H     -10.198069      2.172186      7.907435
  H      -7.900247      1.458455      8.423999
  N      -1.886490      4.129581      4.299474
  H      -1.007507      4.644306      4.194694
  H      -2.627565      4.805849      4.501901
  H      -2.094123      3.707383      3.390445
  N      -3.213843      1.571069      4.679402
  N      -3.790022      1.022797      3.849594
95
Coordinates from ORCA-job orca E -6310.861785603497
  N      -3.169247      4.011650      6.847190
  Mo     -2.095528      2.456624      6.008248
  N      -2.322087      1.104087      7.431919
  C      -1.425103      1.163791      8.578828
  C      -1.029157      2.609383      8.835913
  N      -0.665811      3.265077      7.547528
  C      -0.926904      4.721798      7.559132
  C      -2.431315      4.967338      7.659665
  C       0.733177      2.936819      7.154879
  C       0.814670      2.757786      5.644060
  N      -0.304754      1.944086      5.219777
  H      -2.638804      6.019411      7.372180
  H      -2.742809      4.894943      8.724322
  H      -0.528701      5.123632      6.616794
  H      -0.393364      5.221431      8.390246
  H       1.781727      2.286665      5.390257
  H       0.823744      3.754469      5.146444
  H       0.986565      1.979261      7.629639
  H       1.429181      3.706130      7.534079
  H      -1.885048      0.759570      9.499008
  H      -0.524733      0.539797      8.384924
  H      -1.891939      3.141729      9.254384
  H      -0.194537      2.686952      9.554887
  C      -4.560100      3.913954      7.288376
  C      -5.474774      3.482821      6.189783
  C      -6.617675      4.111901      5.867453
  C      -7.482969      3.678454      4.768419
  N      -6.955127      2.877657      3.840499
  C      -7.743818      2.500188      2.810060
  N      -8.998752      2.849297      2.579381
  C      -9.574836      3.652037      3.523061
  C     -10.933535      4.025126      3.368235
  C     -11.555698      4.797354      4.326630
  C     -10.846131      5.231897      5.470321
  C      -9.518491      4.893731      5.639284
  C      -8.850557      4.102555      4.672038
  C      -0.086374      1.005604      4.123931
  C      -0.196857     -0.396728      4.648266
  C      -0.981077     -1.409113      4.215482
  C      -1.841076     -1.420091      3.038562
  N      -1.565684     -0.589816      2.025161
  C      -2.381061     -0.629001      0.945387
  N      -3.408408     -1.428205      0.726577
  C      -3.711581     -2.296522      1.740247
  C      -4.810304     -3.176318      1.579839
  C      -5.161749     -4.041950      2.595097
  C      -4.435811     -4.054223      3.807560
  C      -3.357911     -3.209872      3.987145
  C      -2.958596     -2.323734      2.956293
  C      -3.153227     -0.105334      7.388975
  C      -4.309706      0.050431      8.327864
  C      -5.633636      0.079252      8.051586
  C      -6.297237     -0.133891      6.768378
  N      -5.664994     -0.808320      5.802682
  C      -6.322682     -0.999751      4.634731
  N      -7.564626     -0.661364      4.338078
  C      -8.241703      0.029347      5.304548
  C      -9.572127      0.442668      5.043749
  C     -10.264155      1.187603      5.975384
  C      -9.653157      1.552253      7.196212
  C      -8.363075      1.150534      7.480403
  C      -7.632351      0.364317      6.554065
  H      -4.903146      4.893276      7.672719
  H      -4.650933      3.195897      8.138642
  H      -5.196344      2.593418      5.621984
  H      -6.931589      4.985042      6.444258
  H      -7.275415      1.830416      2.082237
  H     -11.461983      3.669111      2.482806
  H     -12.604590      5.075193      4.207586
  H     -11.354508      5.836802      6.222884
  H      -8.988164      5.220686      6.533919
  H       0.919505      1.153697      3.684174
  H      -0.801140      1.155642      3.302035
  H       0.363238     -0.563358      5.575288
  H      -1.002694     -2.312613      4.827093
  H      -2.137958      0.084528      0.150511
  H      -5.366083     -3.131462      0.642381
  H      -6.015783     -4.709028      2.471483
  H      -4.739774     -4.723084      4.613827
  H      -2.830301     -3.212128      4.940539
  H      -2.553010     -0.992862      7.681920
  H      -3.509964     -0.278536      6.369788
  H      -4.031785      0.264091      9.366329
  H      -6.297574      0.325733      8.882173
  H      -5.757765     -1.522193      3.858533
  H     -10.007332      0.177222      4.079595
  H     -11.279723      1.522887      5.760622
  H     -10.203996      2.164604      7.912592
  H      -7.900196      1.457779      8.418030
  N      -1.879254      4.146382      4.300589
  H      -1.000442      4.660476      4.197992
  H      -2.618891      4.821946      4.507039
  H      -2.087836      3.729731      3.389546
  N      -3.207472      1.585787      4.666273
  N      -3.781290      1.042295      3.831471
95
Coordinates from ORCA-job orca E -6310.861812671531
  N      -3.163212      4.015391      6.847456
  Mo     -2.091564      2.459311      6.007330
  N      -2.320400      1.104876      7.428079
  C      -1.421527      1.160646      8.573990
  C      -1.025944      2.604850      8.835727
  N      -0.662008      3.264336      7.549005
  C      -0.922165      4.720942      7.565124
  C      -2.426133      4.967503      7.664139
  C       0.737061      2.937070      7.155495
  C       0.817640      2.758304      5.643892
  N      -0.300839      1.944327      5.220215
  H      -2.632312      6.020865      7.379613
  H      -2.738488      4.891333      8.728449
  H      -0.523469      5.124637      6.623477
  H      -0.388879      5.218277      8.397631
  H       1.785240      2.287950      5.390771
  H       0.826280      3.755569      5.147282
  H       0.992448      1.980625      7.631099
  H       1.431884      3.707749      7.533176
  H      -1.879521      0.752813      9.493773
  H      -0.520838      0.537837      8.376628
  H      -1.888998      3.136727      9.254660
  H      -0.192027      2.680062      9.556047
  C      -4.556493      3.919468      7.284362
  C      -5.469207      3.487336      6.184307
  C      -6.613943      4.113479      5.862643
  C      -7.478914      3.675846      4.765455
  N      -6.950538      2.874872      3.837884
  C      -7.740605      2.491914      2.810415
  N      -8.997169      2.835489      2.582611
  C      -9.572860      3.639823      3.525289
  C     -10.932779      4.009510      3.372375
  C     -11.554303      4.784206      4.328733
  C     -10.843850      5.222410      5.470453
  C      -9.515536      4.887026      5.637841
  C      -8.847706      4.095527      4.670973
  C      -0.082167      1.000603      4.128686
  C      -0.201222     -0.399646      4.655834
  C      -0.985511     -1.411083      4.219800
  C      -1.841198     -1.421525      3.040083
  N      -1.561136     -0.592154      2.027315
  C      -2.374459     -0.628764      0.945888
  N      -3.403435     -1.425037      0.724661
  C      -3.710222     -2.293402      1.736825
  C      -4.810517     -3.169928      1.573383
  C      -5.165446     -4.036643      2.586563
  C      -4.440644     -4.053906      3.799526
  C      -3.362128     -3.211408      3.982504
  C      -2.959660     -2.323782      2.954208
  C      -3.157670     -0.100298      7.384510
  C      -4.312257      0.062534      8.323719
  C      -5.636532      0.094703      8.049490
  C      -6.303334     -0.121482      6.768332
  N      -5.671397     -0.796457      5.802874
  C      -6.331340     -0.994992      4.637757
  N      -7.575821     -0.664470      4.344038
  C      -8.252370      0.028414      5.309469
  C      -9.585497      0.432819      5.052378
  C     -10.278252      1.178908      5.983037
  C      -9.664213      1.552784      7.199247
  C      -8.371559      1.158397      7.480432
  C      -7.640619      0.371871      6.555511
  H      -4.899342      4.899918      7.666839
  H      -4.650664      3.203447      8.136004
  H      -5.186733      2.599250      5.615968
  H      -6.930009      4.984793      6.440834
  H      -7.272132      1.820102      2.083989
  H     -11.461434      3.649947      2.488680
  H     -12.603421      5.060498      4.209545
  H     -11.351632      5.828416      6.222059
  H      -8.984996      5.218692      6.529989
  H       0.925749      1.141818      3.692129
  H      -0.792888      1.150659      3.302807
  H       0.353338     -0.566210      5.586226
  H      -1.012580     -2.313885      4.832164
  H      -2.128053      0.084333      0.151584
  H      -5.365600     -3.120932      0.635746
  H      -6.022319     -4.700781      2.460954
  H      -4.747008     -4.724179      4.604011
  H      -2.835168     -3.216950      4.935932
  H      -2.561971     -0.990778      7.675504
  H      -3.515966     -0.269960      6.365796
  H      -4.033129      0.278432      9.361205
  H      -6.298753      0.345355      8.880345
  H      -5.765573     -1.516764      3.861295
  H     -10.023189      0.161012      4.091278
  H     -11.296872      1.508483      5.771064
  H     -10.214813      2.166832      7.913937
  H      -7.905992      1.471874      8.414591
  N      -1.871384      4.154948      4.300472
  H      -0.993960      4.672263      4.200276
  H      -2.613411      4.827352      4.510471
  H      -2.079664      3.741571      3.387602
  N      -3.201506      1.591166      4.662488
  N      -3.775235      1.048873      3.826651
95
Coordinates from ORCA-job orca E -6310.861685344481
  N      -3.146692      4.033571      6.832777
  Mo     -2.082223      2.469207      5.997681
  N      -2.329171      1.117441      7.416950
  C      -1.432356      1.164348      8.564480
  C      -1.028499      2.604838      8.831032
  N      -0.654752      3.264735      7.547133
  C      -0.905499      4.722659      7.565384
  C      -2.408309      4.978634      7.656028
  C       0.744608      2.930439      7.160230
  C       0.829874      2.747224      5.649103
  N      -0.290700      1.938072      5.223429
  H      -2.606938      6.033951      7.373746
  H      -2.726330      4.900458      8.718696
  H      -0.499278      5.125024      6.626273
  H      -0.373354      5.214540      8.401554
  H       1.796382      2.271838      5.401635
  H       0.845350      3.743715      5.151424
  H       0.995095      1.975154      7.640152
  H       1.440486      3.700208      7.537441
  H      -1.894752      0.756937      9.482269
  H      -0.535282      0.536474      8.367472
  H      -1.889987      3.141797      9.247031
  H      -0.197604      2.672775      9.555367
  C      -4.540333      3.940239      7.270584
  C      -5.455134      3.498265      6.176681
  C      -6.611539      4.109188      5.866791
  C      -7.484233      3.658494      4.780711
  N      -6.956441      2.867965      3.843822
  C      -7.756921      2.471861      2.828800
  N      -9.022964      2.794038      2.621289
  C      -9.596958      3.587414      3.573426
  C     -10.965531      3.933089      3.442519
  C     -11.585240      4.695511      4.409591
  C     -10.865138      5.142435      5.542331
  C      -9.528823      4.829071      5.688696
  C      -8.862176      4.053184      4.708683
  C      -0.067726      0.973969      4.151032
  C      -0.217318     -0.416945      4.696280
  C      -0.998326     -1.427142      4.250789
  C      -1.814665     -1.446700      3.043644
  N      -1.488302     -0.640132      2.026268
  C      -2.265767     -0.683822      0.918967
  N      -3.298079     -1.469851      0.676541
  C      -3.650078     -2.317203      1.691755
  C      -4.754427     -3.184120      1.504173
  C      -5.152279     -4.031982      2.517263
  C      -4.470079     -4.037467      3.754857
  C      -3.389782     -3.202288      3.962457
  C      -2.941635     -2.336193      2.934706
  C      -3.184319     -0.075550      7.374512
  C      -4.336692      0.109807      8.312328
  C      -5.660133      0.155195      8.037537
  C      -6.330795     -0.072222      6.760519
  N      -5.707231     -0.769113      5.804945
  C      -6.373163     -0.984360      4.646360
  N      -7.617974     -0.653018      4.352745
  C      -8.285200      0.062405      5.307727
  C      -9.617870      0.469303      5.050100
  C     -10.300885      1.237498      5.969034
  C      -9.676762      1.634768      7.172461
  C      -8.384353      1.239748      7.453855
  C      -7.664052      0.427603      6.542985
  H      -4.883189      4.922503      7.647193
  H      -4.632669      3.230383      8.127175
  H      -5.164159      2.614608      5.605640
  H      -6.933675      4.974421      6.450883
  H      -7.288861      1.807685      2.095182
  H     -11.501299      3.565974      2.565934
  H     -12.640754      4.954480      4.306172
  H     -11.371744      5.737283      6.303619
  H      -8.990956      5.168132      6.573773
  H       0.949989      1.093205      3.730037
  H      -0.761246      1.121184      3.309832
  H       0.309237     -0.575631      5.644241
  H      -1.054048     -2.321049      4.874760
  H      -1.983706      0.012299      0.121554
  H      -5.275797     -3.144548      0.547047
  H      -6.008716     -4.690956      2.371186
  H      -4.809567     -4.693414      4.557489
  H      -2.894731     -3.198647      4.932953
  H      -2.602348     -0.975102      7.667340
  H      -3.544515     -0.240614      6.355270
  H      -4.055947      0.334057      9.347747
  H      -6.319107      0.425271      8.864423
  H      -5.812512     -1.521176      3.876021
  H     -10.063943      0.179379      4.097927
  H     -11.319842      1.567109      5.757268
  H     -10.219793      2.269434      7.876570
  H      -7.911033      1.570504      8.378423
  N      -1.838247      4.166721      4.292635
  H      -0.957223      4.680033      4.199182
  H      -2.578646      4.843001      4.499870
  H      -2.043728      3.756191      3.377341
  N      -3.186921      1.607129      4.645415
  N      -3.757644      1.067727      3.805750
95
Coordinates from ORCA-job orca E -6310.861773548345
  N      -3.132620      4.049211      6.815594
  Mo     -2.075674      2.470323      5.999207
  N      -2.334858      1.133805      7.430770
  C      -1.439896      1.184544      8.579163
  C      -1.028729      2.625360      8.835218
  N      -0.647909      3.271684      7.546493
  C      -0.891042      4.732386      7.552446
  C      -2.392753      4.994840      7.636868
  C       0.750539      2.926780      7.168603
  C       0.840758      2.728767      5.659905
  N      -0.284491      1.923012      5.236598
  H      -2.587333      6.049013      7.348690
  H      -2.714414      4.922686      8.698427
  H      -0.479626      5.126736      6.612254
  H      -0.357950      5.226509      8.387538
  H       1.805269      2.245502      5.420462
  H       0.863676      3.720245      5.152969
  H       0.995471      1.975161      7.658239
  H       1.448358      3.697279      7.540786
  H      -1.907370      0.788638      9.499535
  H      -0.546792      0.547951      8.390695
  H      -1.888194      3.170573      9.243647
  H      -0.199621      2.695135      9.561701
  C      -4.527277      3.964596      7.250198
  C      -5.440925      3.521021      6.155714
  C      -6.602742      4.122577      5.846348
  C      -7.474252      3.662908      4.762250
  N      -6.946242      2.857765      3.838292
  C      -7.746883      2.445695      2.829706
  N      -9.011779      2.768928      2.614708
  C      -9.584258      3.581133      3.551305
  C     -10.951077      3.930686      3.410466
  C     -11.571500      4.707858      4.365556
  C     -10.853725      5.166984      5.495684
  C      -9.519241      4.851078      5.650951
  C      -8.851425      4.059971      4.682885
  C      -0.062166      0.953846      4.167614
  C      -0.237083     -0.433639      4.712841
  C      -1.014849     -1.437545      4.249196
  C      -1.797346     -1.450527      3.018960
  N      -1.430675     -0.653120      2.008062
  C      -2.181025     -0.686069      0.881300
  N      -3.219082     -1.455689      0.614022
  C      -3.609224     -2.297040      1.620278
  C      -4.717304     -3.152464      1.403112
  C      -5.149401     -3.998291      2.404174
  C      -4.500646     -4.010116      3.659591
  C      -3.418945     -3.184132      3.897419
  C      -2.933670     -2.324120      2.881547
  C      -3.197311     -0.054539      7.400218
  C      -4.343358      0.146392      8.343884
  C      -5.670186      0.181432      8.083021
  C      -6.355405     -0.070567      6.819383
  N      -5.737116     -0.767820      5.860801
  C      -6.417384     -1.003087      4.713932
  N      -7.671994     -0.694544      4.436542
  C      -8.335244      0.017879      5.396360
  C      -9.678594      0.399703      5.156183
  C     -10.361198      1.161099      6.081155
  C      -9.724390      1.579935      7.271185
  C      -8.417659      1.215609      7.532216
  C      -7.698863      0.407540      6.617013
  H      -4.866245      4.950645      7.623035
  H      -4.624271      3.256591      8.108484
  H      -5.140266      2.643696      5.580212
  H      -6.930276      4.987110      6.429161
  H      -7.280146      1.770942      2.107267
  H     -11.485539      3.553064      2.537176
  H     -12.626350      4.966950      4.255881
  H     -11.361709      5.771913      6.248793
  H      -8.983448      5.197637      6.535059
  H       0.962124      1.059723      3.758490
  H      -0.742750      1.108583      3.317882
  H       0.267095     -0.596474      5.672029
  H      -1.094603     -2.329776      4.873054
  H      -1.866110      0.002238      0.089545
  H      -5.212168     -3.108659      0.432101
  H      -6.006449     -4.651264      2.234121
  H      -4.867511     -4.665200      4.450903
  H      -2.949773     -3.186146      4.880975
  H      -2.619415     -0.954724      7.698949
  H      -3.561928     -0.228613      6.384318
  H      -4.053130      0.389067      9.373048
  H      -6.321430      0.459870      8.913730
  H      -5.858322     -1.534528      3.938986
  H     -10.134489      0.094609      4.213300
  H     -11.390125      1.466707      5.884817
  H     -10.267674      2.206084      7.981219
  H      -7.935268      1.563103      8.446228
  N      -1.815573      4.156801      4.282303
  H      -0.931228      4.661557      4.184765
  H      -2.548680      4.839348      4.486312
  H      -2.025573      3.744002      3.370116
  N      -3.181621      1.602815      4.651127
  N      -3.757096      1.059415      3.817634
95
Coordinates from ORCA-job orca E -6310.861717009369
  N      -3.138823      4.026962      6.817245
  Mo     -2.067157      2.461754      5.992938
  N      -2.310300      1.114918      7.417424
  C      -1.415869      1.170957      8.567326
  C      -1.019018      2.615616      8.828031
  N      -0.645049      3.270101      7.541124
  C      -0.902126      4.728121      7.550581
  C      -2.405822      4.975573      7.640886
  C       0.756009      2.939640      7.157886
  C       0.845610      2.748350      5.648075
  N      -0.273003      1.934472      5.223344
  H      -2.610004      6.029685      7.358261
  H      -2.724274      4.896592      8.702857
  H      -0.498131      5.129029      6.609925
  H      -0.372123      5.226612      8.385006
  H       1.813619      2.273786      5.405578
  H       0.860227      3.741511      5.144162
  H       1.010322      1.988227      7.643823
  H       1.447874      3.714603      7.531808
  H      -1.877562      0.764723      9.485981
  H      -0.515078      0.546216      8.374602
  H      -1.883498      3.150787      9.238904
  H      -0.189920      2.691512      9.554299
  C      -4.532982      3.934351      7.250807
  C      -5.450954      3.500193      6.155245
  C      -6.613434      4.107366      5.859671
  C      -7.492942      3.662722      4.776899
  N      -6.977356      2.853904      3.849315
  C      -7.782316      2.460670      2.837788
  N      -9.041589      2.802443      2.624260
  C      -9.602507      3.619320      3.564724
  C     -10.962023      3.994958      3.422661
  C     -11.568470      4.784320      4.376753
  C     -10.843065      5.231879      5.505615
  C      -9.515119      4.890966      5.662020
  C      -8.861925      4.084619      4.696593
  C      -0.048132      0.961694      4.159077
  C      -0.213401     -0.423512      4.712042
  C      -1.007405     -1.425360      4.273063
  C      -1.836018     -1.433712      3.073438
  N      -1.507096     -0.633763      2.051887
  C      -2.299121     -0.663113      0.954201
  N      -3.350456     -1.426765      0.726551
  C      -3.707103     -2.265307      1.747562
  C      -4.832270     -3.107720      1.576674
  C      -5.234649     -3.946446      2.595941
  C      -4.532936     -3.968316      3.822369
  C      -3.432439     -3.156713      4.014060
  C      -2.981984     -2.299460      2.980110
  C      -3.155338     -0.084991      7.374525
  C      -4.318245      0.092100      8.300632
  C      -5.640453      0.122073      8.015355
  C      -6.296367     -0.095652      6.729487
  N      -5.639558     -0.728395      5.752112
  C      -6.289079     -0.926164      4.581037
  N      -7.546069     -0.641584      4.292904
  C      -8.248497      0.007779      5.270296
  C      -9.598039      0.358657      5.022688
  C     -10.319697      1.060169      5.966892
  C      -9.717083      1.444506      7.186009
  C      -8.406628      1.102942      7.457309
  C      -7.648537      0.358056      6.520636
  H      -4.874300      4.916645      7.632692
  H      -4.627396      3.219938      8.104852
  H      -5.156524      2.627025      5.570223
  H      -6.932745      4.969492      6.449961
  H      -7.324869      1.782162      2.111350
  H     -11.501807      3.628081      2.548765
  H     -12.617127      5.063934      4.266125
  H     -11.339215      5.848566      6.256726
  H      -8.973520      5.228527      6.545545
  H       0.973158      1.070430      3.744237
  H      -0.734225      1.108808      3.312504
  H       0.309173     -0.583418      5.662083
  H      -1.071879     -2.315551      4.900906
  H      -2.010270      0.023841      0.151198
  H      -5.367255     -3.056406      0.627267
  H      -6.111569     -4.585405      2.464148
  H      -4.875979     -4.616648      4.630566
  H      -2.925382     -3.162853      4.978321
  H      -2.569488     -0.977651      7.675605
  H      -3.505590     -0.259113      6.354860
  H      -4.048116      0.316737      9.338825
  H      -6.310719      0.370258      8.841346
  H      -5.699889     -1.403697      3.793755
  H     -10.027221      0.082356      4.059270
  H     -11.353141      1.345063      5.764177
  H     -10.289735      2.022160      7.910393
  H      -7.949528      1.423068      8.393207
  N      -1.828368      4.160855      4.280236
  H      -0.951406      4.677456      4.180627
  H      -2.568472      4.831320      4.496785
  H      -2.039729      3.752637      3.366608
  N      -3.169242      1.591324      4.642776
  N      -3.738839      1.046152      3.805688
95
Coordinates from ORCA-job orca E -6310.861902480920
  N      -3.133386      4.032879      6.813059
  Mo     -2.065182      2.465103      5.989321
  N      -2.320741      1.118750      7.411920
  C      -1.427161      1.166354      8.561844
  C      -1.022368      2.607605      8.827351
  N      -0.643794      3.264715      7.543229
  C      -0.896310      4.723606      7.558230
  C      -2.399740      4.976186      7.643291
  C       0.757343      2.931286      7.163172
  C       0.849231      2.742403      5.653011
  N      -0.270804      1.931332      5.226127
  H      -2.599991      6.031781      7.363555
  H      -2.722426      4.893866      8.703915
  H      -0.486378      5.126658      6.621169
  H      -0.367348      5.215661      8.396775
  H       1.816523      2.266427      5.410355
  H       0.865204      3.736523      5.151238
  H       1.008517      1.978224      7.647444
  H       1.450240      3.704002      7.540129
  H      -1.893120      0.761678      9.479113
  H      -0.530711      0.535945      8.369316
  H      -1.884635      3.145769      9.239346
  H      -0.193778      2.676583      9.554468
  C      -4.528395      3.936724      7.244319
  C      -5.440512      3.502250      6.144663
  C      -6.610205      4.096296      5.851694
  C      -7.476946      3.654501      4.756878
  N      -6.939361      2.882372      3.810427
  C      -7.731624      2.498339      2.784738
  N      -8.997868      2.817696      2.574878
  C      -9.581133      3.593941      3.535270
  C     -10.949401      3.938968      3.398710
  C     -11.578689      4.684888      4.372942
  C     -10.868172      5.117111      5.517567
  C      -9.532248      4.805239      5.669263
  C      -8.855926      4.044665      4.683243
  C      -0.044869      0.959739      4.160931
  C      -0.214816     -0.426655      4.710881
  C      -1.005554     -1.428427      4.265191
  C      -1.823217     -1.436489      3.058250
  N      -1.486916     -0.633945      2.041157
  C      -2.267740     -0.665879      0.935319
  N      -3.312492     -1.435400      0.695399
  C      -3.674610     -2.278596      1.710597
  C      -4.791402     -3.129679      1.525180
  C      -5.198117     -3.973571      2.538328
  C      -4.511935     -3.989970      3.773635
  C      -3.419771     -3.170063      3.979581
  C      -2.963130     -2.309061      2.951447
  C      -3.178441     -0.072160      7.370597
  C      -4.331009      0.116553      8.308319
  C      -5.656199      0.156692      8.038452
  C      -6.332550     -0.065699      6.764200
  N      -5.701923     -0.728245      5.788736
  C      -6.371092     -0.931643      4.629795
  N      -7.625945     -0.624410      4.353167
  C      -8.302229      0.053021      5.329576
  C      -9.646977      0.430327      5.091773
  C     -10.341543      1.160450      6.033221
  C      -9.717232      1.547151      7.240367
  C      -8.411620      1.181061      7.502063
  C      -7.679004      0.408306      6.567181
  H      -4.872677      4.916677      7.627979
  H      -4.623246      3.218799      8.094759
  H      -5.133296      2.638629      5.551938
  H      -6.945382      4.944813      6.452911
  H      -7.256778      1.848363      2.043360
  H     -11.477643      3.583949      2.512709
  H     -12.634366      4.941395      4.266230
  H     -11.382398      5.698842      6.284229
  H      -9.001917      5.131123      6.563876
  H       0.977800      1.067615      3.749492
  H      -0.728035      1.110071      3.312226
  H       0.304477     -0.589046      5.661855
  H      -1.072517     -2.320596      4.890059
  H      -1.975971      0.025468      0.137217
  H      -5.315249     -3.082002      0.569623
  H      -6.064808     -4.620966      2.394327
  H      -4.859390     -4.642199      4.576201
  H      -2.924095     -3.172620      4.949724
  H      -2.599866     -0.972686      7.665968
  H      -3.537561     -0.239907      6.351783
  H      -4.047805      0.344002      9.342520
  H      -6.312678      0.419607      8.869919
  H      -5.803022     -1.435604      3.843606
  H     -10.093271      0.150248      4.136923
  H     -11.370785      1.466361      5.837200
  H     -10.269891      2.148540      7.964072
  H      -7.939425      1.503772      8.429814
  N      -1.811836      4.163827      4.284124
  H      -0.929256      4.673516      4.189720
  H      -2.548611      4.841689      4.495452
  H      -2.021141      3.756775      3.368730
  N      -3.162868      1.599288      4.633185
  N      -3.731447      1.057079      3.793856
95
Coordinates from ORCA-job orca E -6310.861874243394
  N      -3.109360      4.068997      6.805604
  Mo     -2.059972      2.483458      5.991334
  N      -2.335243      1.148489      7.420945
  C      -1.444499      1.192856      8.573240
  C      -1.021387      2.630519      8.830478
  N      -0.630978      3.273886      7.543027
  C      -0.864023      4.736450      7.547082
  C      -2.363969      5.008844      7.629325
  C       0.766234      2.919723      7.168452
  C       0.858572      2.722169      5.659679
  N      -0.271160      1.923573      5.233891
  H      -2.551461      6.064855      7.342959
  H      -2.687759      4.937337      8.690267
  H      -0.447845      5.127431      6.607721
  H      -0.329224      5.227223      8.382803
  H       1.819995      2.232706      5.420739
  H       0.888014      3.713478      5.153262
  H       1.003917      1.966056      7.658239
  H       1.468379      3.685403      7.542843
  H      -1.918012      0.800061      9.491737
  H      -0.555670      0.549835      8.387350
  H      -1.877371      3.182533      9.236990
  H      -0.193613      2.693294      9.558997
  C      -4.501888      3.987097      7.246003
  C      -5.423555      3.543622      6.158304
  C      -6.599323      4.129872      5.874246
  C      -7.479604      3.669790      4.797917
  N      -6.955906      2.872373      3.864717
  C      -7.763211      2.461088      2.861731
  N      -9.032084      2.776907      2.660987
  C      -9.601212      3.579071      3.608466
  C     -10.971200      3.921303      3.482360
  C     -11.586592      4.691838      4.446283
  C     -10.860073      5.152272      5.569779
  C      -9.522369      4.843194      5.710950
  C      -8.859734      4.058189      4.734628
  C      -0.052771      0.943180      4.174722
  C      -0.240732     -0.438860      4.729933
  C      -1.026125     -1.440575      4.274739
  C      -1.814974     -1.456417      3.048342
  N      -1.451169     -0.664973      2.031944
  C      -2.205867     -0.703897      0.908244
  N      -3.246415     -1.472958      0.649808
  C      -3.634219     -2.307632      1.662701
  C      -4.745815     -3.160906      1.456222
  C      -5.176422     -3.998191      2.465044
  C      -4.521355     -4.004178      3.717208
  C      -3.435519     -3.181190      3.944303
  C      -2.953311     -2.328438      2.920918
  C      -3.203534     -0.035223      7.383649
  C      -4.364485      0.172273      8.307363
  C      -5.687677      0.203211      8.025965
  C      -6.353996     -0.055613      6.753417
  N      -5.712170     -0.737385      5.798902
  C      -6.373246     -0.978530      4.642533
  N      -7.629983     -0.692576      4.351946
  C      -8.318335      0.002501      5.307087
  C      -9.666579      0.357024      5.053233
  C     -10.374605      1.102629      5.972136
  C      -9.760448      1.529524      7.170938
  C      -8.451086      1.187396      7.447756
  C      -7.704681      0.398492      6.537351
  H      -4.837993      4.973315      7.620519
  H      -4.595343      3.279529      8.105233
  H      -5.119886      2.676614      5.568897
  H      -6.930779      4.983433      6.470581
  H      -7.298931      1.793372      2.130057
  H     -11.512146      3.544024      2.613227
  H     -12.643714      4.945841      4.348187
  H     -11.363584      5.753136      6.328960
  H      -8.979437      5.190331      6.590256
  H       0.974014      1.037079      3.769596
  H      -0.728226      1.097497      3.320768
  H       0.263038     -0.599504      5.689690
  H      -1.107825     -2.328798      4.903579
  H      -1.892681     -0.020616      0.111362
  H      -5.245623     -3.121335      0.487510
  H      -6.037951     -4.648031      2.304293
  H      -4.887895     -4.651171      4.515400
  H      -2.964085     -3.176245      4.926587
  H      -2.635484     -0.937274      7.695148
  H      -3.554035     -0.211891      6.363229
  H      -4.090095      0.420416      9.339352
  H      -6.351178      0.482584      8.846367
  H      -5.795284     -1.495190      3.872073
  H     -10.105426      0.044561      4.104854
  H     -11.406817      1.388758      5.764129
  H     -10.324061      2.141997      7.876757
  H      -7.987951      1.539967      8.369240
  N      -1.783546      4.171931      4.279020
  H      -0.894284      4.668369      4.181059
  H      -2.509725      4.860457      4.489902
  H      -2.000516      3.765169      3.365583
  N      -3.167567      1.625222      4.638303
  N      -3.742869      1.086531      3.801444
95
Coordinates from ORCA-job orca E -6310.861935173850
  N      -3.116710      4.052849      6.805105
  Mo     -2.057794      2.475588      5.986689
  N      -2.327421      1.134457      7.411383
  C      -1.435743      1.177568      8.563038
  C      -1.020221      2.616274      8.826759
  N      -0.633886      3.267970      7.542260
  C      -0.875908      4.728919      7.552876
  C      -2.377555      4.992361      7.634888
  C       0.765629      2.923864      7.166265
  C       0.859175      2.731462      5.656832
  N      -0.265759      1.927514      5.228717
  H      -2.570240      6.048856      7.353671
  H      -2.702407      4.913804      8.695031
  H      -0.461257      5.126573      6.615637
  H      -0.344840      5.219190      8.391140
  H       1.823397      2.248412      5.416332
  H       0.882702      3.724499      5.153585
  H       1.009284      1.970188      7.653133
  H       1.463043      3.692638      7.543055
  H      -1.906267      0.777711      9.480043
  H      -0.543634      0.540385      8.372898
  H      -1.878949      3.161733      9.236345
  H      -0.192413      2.680072      9.555157
  C      -4.510717      3.963357      7.239553
  C      -5.426905      3.522165      6.146172
  C      -6.604578      4.104874      5.862388
  C      -7.477339      3.651065      4.777378
  N      -6.946256      2.862518      3.840777
  C      -7.745388      2.461020      2.827442
  N      -9.012687      2.778053      2.619789
  C      -9.589329      3.571305      3.570167
  C     -10.958002      3.915375      3.435956
  C     -11.580573      4.678765      4.400959
  C     -10.862836      5.129589      5.533793
  C      -9.526531      4.818205      5.683227
  C      -8.856672      4.040458      4.706209
  C      -0.042259      0.946873      4.171211
  C      -0.228404     -0.434982      4.727288
  C      -1.016900     -1.435778      4.275638
  C      -1.813127     -1.449478      3.054089
  N      -1.452722     -0.659616      2.035305
  C      -2.214449     -0.696027      0.916336
  N      -3.260396     -1.460134      0.665181
  C      -3.646416     -2.291365      1.681591
  C      -4.765417     -3.136907      1.484059
  C      -5.195471     -3.969043      2.497315
  C      -4.531773     -3.977991      3.744928
  C      -3.438273     -3.162963      3.963072
  C      -2.957181     -2.315053      2.935140
  C      -3.194771     -0.049551      7.371390
  C      -4.349886      0.150433      8.303671
  C      -5.674492      0.188909      8.030354
  C      -6.348758     -0.045012      6.757232
  N      -5.710199     -0.700809      5.782447
  C      -6.377193     -0.915555      4.624413
  N      -7.636447     -0.626454      4.348324
  C      -8.321526      0.042518      5.324395
  C      -9.672436      0.398387      5.087659
  C     -10.377649      1.117983      6.029299
  C      -9.757758      1.517036      7.234631
  C      -8.445648      1.173016      7.494769
  C      -7.702135      0.409791      6.560505
  H      -4.852062      4.946427      7.617459
  H      -4.605184      3.251455      8.095219
  H      -5.116627      2.661588      5.550774
  H      -6.941800      4.952856      6.463336
  H      -7.275354      1.799161      2.093560
  H     -11.492043      3.545832      2.559343
  H     -12.636497      4.934819      4.296243
  H     -11.371824      5.725185      6.293414
  H      -8.990405      5.158272      6.569342
  H       0.984948      1.042681      3.767542
  H      -0.716967      1.098785      3.316176
  H       0.276870     -0.594954      5.686450
  H      -1.098090     -2.323335      4.905469
  H      -1.902984     -0.014880      0.116933
  H      -5.271744     -3.094916      0.518808
  H      -6.063470     -4.612345      2.343802
  H      -4.897778     -4.620513      4.547037
  H      -2.960620     -3.159361      4.942309
  H      -2.624700     -0.953513      7.673115
  H      -3.551525     -0.218953      6.352002
  H      -4.068936      0.385476      9.336897
  H      -6.332334      0.457462      8.858937
  H      -5.802348     -1.411414      3.838109
  H     -10.115606      0.108765      4.134156
  H     -11.412069      1.405857      5.834570
  H     -10.318938      2.110135      7.958475
  H      -7.978003      1.504410      8.421750
  N      -1.789041      4.171978      4.280626
  H      -0.902054      4.673205      4.184227
  H      -2.518665      4.856058      4.495645
  H      -2.004956      3.768094      3.365486
  N      -3.158990      1.615806      4.629352
  N      -3.729523      1.076564      3.789451
95
Coordinates from ORCA-job orca E -6310.861901537526
  N      -3.112922      4.043090      6.795414
  Mo     -2.047302      2.468185      5.980184
  N      -2.318809      1.127715      7.404956
  C      -1.430123      1.172588      8.558830
  C      -1.017253      2.611927      8.823382
  N      -0.629314      3.264394      7.539588
  C      -0.875914      4.724846      7.550569
  C      -2.378395      4.982902      7.629388
  C       0.772106      2.924491      7.167300
  C       0.869987      2.731970      5.657776
  N      -0.252149      1.924726      5.227783
  H      -2.574177      6.039336      7.349791
  H      -2.705437      4.900784      8.688540
  H      -0.460016      5.124721      6.614759
  H      -0.348024      5.215752      8.390677
  H       1.836036      2.251589      5.419271
  H       0.891072      3.724918      5.154216
  H       1.017895      1.971704      7.654930
  H       1.466032      3.695580      7.545654
  H      -1.902662      0.772995      9.475085
  H      -0.536717      0.536088      8.371716
  H      -1.877649      3.156207      9.231007
  H      -0.191142      2.677056      9.553790
  C      -4.507574      3.946795      7.227822
  C      -5.423531      3.518762      6.128823
  C      -6.609721      4.092285      5.862180
  C      -7.478038      3.655702      4.766540
  N      -6.936670      2.903929      3.805780
  C      -7.729441      2.526463      2.778421
  N      -8.999834      2.835790      2.578905
  C      -9.586681      3.591479      3.553376
  C     -10.958647      3.925558      3.427030
  C     -11.591502      4.650230      4.414921
  C     -10.881082      5.071165      5.563779
  C      -9.541790      4.770100      5.705864
  C      -8.861425      4.031702      4.705663
  C      -0.025730      0.944639      4.170142
  C      -0.211888     -0.436743      4.726190
  C      -1.009703     -1.433313      4.282087
  C      -1.824185     -1.438809      3.072777
  N      -1.475820     -0.646457      2.051877
  C      -2.256244     -0.674103      0.945420
  N      -3.311159     -1.430392      0.708950
  C      -3.685973     -2.262776      1.728423
  C      -4.814550     -3.098828      1.547098
  C      -5.233759     -3.931317      2.564724
  C      -4.548421     -3.950473      3.800433
  C      -3.445545     -3.144286      4.002933
  C      -2.975789     -2.296240      2.969851
  C      -3.186409     -0.055588      7.364572
  C      -4.345054      0.149485      8.291273
  C      -5.669137      0.186319      8.014220
  C      -6.341005     -0.053396      6.741178
  N      -5.700140     -0.711654      5.769479
  C      -6.363814     -0.929279      4.610142
  N      -7.621851     -0.639922      4.329289
  C      -8.309339      0.032055      5.301696
  C      -9.658384      0.389436      5.058647
  C     -10.366090      1.113185      5.995474
  C      -9.750444      1.513108      7.202690
  C      -8.440054      1.167239      7.469040
  C      -7.693785      0.401693      6.539206
  H      -4.849939      4.925439      7.617602
  H      -4.602107      3.224292      8.074980
  H      -5.104438      2.676215      5.512605
  H      -6.956404      4.920852      6.484397
  H      -7.251563      1.893663      2.024775
  H     -11.486907      3.579223      2.537646
  H     -12.649976      4.897854      4.316168
  H     -11.398159      5.635786      6.341256
  H      -9.011322      5.086952      6.603589
  H       1.001132      1.041186      3.766701
  H      -0.700537      1.096206      3.315050
  H       0.301020     -0.599451      5.680547
  H      -1.087937     -2.321294      4.911383
  H      -1.953618      0.008131      0.143527
  H      -5.337486     -3.049122      0.591115
  H      -6.109779     -4.567430      2.424026
  H      -4.906079     -4.593347      4.606252
  H      -2.951502     -3.147559      4.973847
  H      -2.619220     -0.959175      7.671975
  H      -3.538568     -0.228233      6.344402
  H      -4.067181      0.392118      9.323540
  H      -6.328612      0.460474      8.839773
  H      -5.786546     -1.427137      3.826728
  H     -10.097630      0.098940      4.103696
  H     -11.399128      1.403084      5.795466
  H     -10.313076      2.107895      7.923444
  H      -7.976464      1.499618      8.397702
  N      -1.778061      4.165927      4.276302
  H      -0.891203      4.667234      4.180759
  H      -2.507849      4.849299      4.491565
  H      -1.993501      3.763155      3.360766
  N      -3.140717      1.604107      4.619176
  N      -3.708149      1.062543      3.778623
95
Coordinates from ORCA-job orca E -6310.861958959061
  N      -3.108774      4.054153      6.797996
  Mo     -2.049427      2.475132      5.982438
  N      -2.325426      1.135878      7.407529
  C      -1.436029      1.177711      8.560978
  C      -1.017523      2.615583      8.824971
  N      -0.627666      3.266182      7.540934
  C      -0.868402      4.727556      7.550752
  C      -2.369871      4.992190      7.630104
  C       0.772233      2.920531      7.168070
  C       0.868499      2.727909      5.658713
  N      -0.256751      1.924981      5.228759
  H      -2.561280      6.049084      7.349484
  H      -2.696694      4.912936      8.689538
  H      -0.451248      5.124749      6.614436
  H      -0.338292      5.217194      8.390058
  H       1.832513      2.244004      5.419242
  H       0.893086      3.720891      5.155531
  H       1.014090      1.966613      7.655464
  H       1.469646      3.688619      7.546305
  H      -1.909364      0.779600      9.477342
  H      -0.545033      0.538346      8.372988
  H      -1.875534      3.163091      9.233276
  H      -0.190624      2.677605      9.554584
  C      -4.502737      3.962823      7.232275
  C      -5.419585      3.526499      6.137538
  C      -6.605847      4.098139      5.867249
  C      -7.476723      3.649421      4.778609
  N      -6.940521      2.875852      3.832344
  C      -7.736668      2.481780      2.813970
  N      -9.005922      2.793303      2.609848
  C      -9.587782      3.571015      3.569816
  C     -10.958340      3.908759      3.438843
  C     -11.586117      4.656423      4.412794
  C     -10.871785      5.097454      5.551586
  C      -9.533732      4.792402      5.698026
  C      -8.858503      4.030664      4.712090
  C      -0.032837      0.942794      4.172661
  C      -0.222859     -0.438045      4.729494
  C      -1.016224     -1.435927      4.280285
  C      -1.817841     -1.445536      3.062232
  N      -1.459413     -0.655416      2.043041
  C      -2.226199     -0.688511      0.927308
  N      -3.275527     -1.449148      0.679989
  C      -3.659768     -2.280280      1.697134
  C      -4.782264     -3.122051      1.503733
  C      -5.210613     -3.953596      2.518238
  C      -4.541477     -3.965643      3.762915
  C      -3.444477     -3.154350      3.977027
  C      -2.965111     -2.307310      2.947553
  C      -3.197124     -0.044611      7.367717
  C      -4.354524      0.162471      8.295677
  C      -5.678791      0.200626      8.019939
  C      -6.352274     -0.039205      6.747718
  N      -5.711267     -0.694424      5.774091
  C      -6.376749     -0.913307      4.616087
  N      -7.636644     -0.628472      4.338615
  C      -8.324616      0.039417      5.313452
  C      -9.676223      0.390878      5.074499
  C     -10.384955      1.109304      6.014429
  C      -9.768035      1.510649      7.220452
  C      -8.455221      1.170871      7.482751
  C      -7.707586      0.410057      6.549854
  H      -4.843987      4.944313      7.614795
  H      -4.597314      3.246954      8.084818
  H      -5.102097      2.678335      5.528262
  H      -6.950932      4.933736      6.480904
  H      -7.262611      1.831776      2.072237
  H     -11.489780      3.546978      2.557466
  H     -12.643532      4.907389      4.310671
  H     -11.384846      5.680593      6.318084
  H      -9.000135      5.124811      6.588469
  H       0.995243      1.036176      3.770951
  H      -0.705709      1.095574      3.316317
  H       0.284306     -0.599880      5.687241
  H      -1.098021     -2.323600      4.909769
  H      -1.916190     -0.007265      0.127411
  H      -5.292884     -3.077611      0.540858
  H      -6.081492     -4.593963      2.368152
  H      -4.906485     -4.607445      4.566107
  H      -2.962960     -3.152694      4.954330
  H      -2.632281     -0.950218      7.674418
  H      -3.551128     -0.215704      6.347673
  H      -4.075220      0.403797      9.327903
  H      -6.336922      0.474793      8.846397
  H      -5.799927     -1.408826      3.831069
  H     -10.116777      0.099111      4.120456
  H     -11.419868      1.394172      5.817689
  H     -10.331845      2.101992      7.943574
  H      -7.990963      1.504174      8.410733
  N      -1.775173      4.171547      4.278580
  H      -0.886197      4.669134      4.181900
  H      -2.501934      4.858045      4.495362
  H      -1.993617      3.769716      3.363193
  N      -3.147607      1.615670      4.622301
  N      -3.716953      1.076666      3.781438
95
Coordinates from ORCA-job orca E -6310.861967207853
  N      -3.102159      4.059157      6.794143
  Mo     -2.044479      2.478209      5.979144
  N      -2.326035      1.139115      7.403139
  C      -1.437635      1.177936      8.557489
  C      -1.016100      2.614593      8.823315
  N      -0.623298      3.265472      7.540312
  C      -0.861384      4.727289      7.550750
  C      -2.362426      4.994738      7.628337
  C       0.776504      2.917562      7.169114
  C       0.874160      2.725481      5.659747
  N      -0.251992      1.924759      5.227988
  H      -2.551396      6.052359      7.348844
  H      -2.690733      4.914840      8.687259
  H      -0.442159      5.124204      6.615240
  H      -0.331479      5.215453      8.391024
  H       1.837545      2.240135      5.420802
  H       0.900760      3.718765      5.157369
  H       1.016186      1.963067      7.656468
  H       1.474750      3.684315      7.548544
  H      -1.912550      0.779752      9.472991
  H      -0.547759      0.537089      8.369394
  H      -1.873152      3.163769      9.231396
  H      -0.189754      2.673877      9.553759
  C      -4.496148      3.968400      7.228047
  C      -5.413216      3.531723      6.133739
  C      -6.605079      4.095115      5.870660
  C      -7.475769      3.644638      4.782645
  N      -6.938379      2.872700      3.835619
  C      -7.734279      2.476566      2.818001
  N      -9.004659      2.784472      2.615060
  C      -9.587745      3.560488      3.575610
  C     -10.959231      3.894771      3.445636
  C     -11.588117      4.641142      4.419826
  C     -10.874045      5.084170      5.557974
  C      -9.535173      4.782304      5.703571
  C      -8.858701      4.022031      4.717357
  C      -0.027841      0.938571      4.175685
  C      -0.224517     -0.440076      4.735675
  C      -1.019119     -1.436822      4.286085
  C      -1.815130     -1.448100      3.064294
  N      -1.448094     -0.664517      2.043120
  C      -2.209726     -0.699214      0.923914
  N      -3.261347     -1.456171      0.675077
  C      -3.654409     -2.280659      1.694282
  C      -4.779990     -3.117992      1.499453
  C      -5.217248     -3.942520      2.515875
  C      -4.554288     -3.951656      3.763880
  C      -3.454451     -3.144584      3.979427
  C      -2.965929     -2.304950      2.948177
  C      -3.202249     -0.037906      7.362576
  C      -4.359637      0.173244      8.289655
  C      -5.683976      0.212240      8.014170
  C      -6.358674     -0.029300      6.743017
  N      -5.716224     -0.679872      5.767231
  C      -6.382406     -0.900137      4.610000
  N      -7.643996     -0.620530      4.334844
  C      -8.333649      0.042275      5.311943
  C      -9.687259      0.387805      5.075444
  C     -10.398361      1.100619      6.017825
  C      -9.781839      1.502277      7.223877
  C      -8.466976      1.168527      7.483665
  C      -7.716621      0.413526      6.548194
  H      -4.837286      4.949930      7.610503
  H      -4.591181      3.252835      8.080839
  H      -5.091302      2.689698      5.518285
  H      -6.954729      4.925024      6.489381
  H      -7.259045      1.828139      2.075600
  H     -11.490441      3.531568      2.564697
  H     -12.646179      4.889664      4.318379
  H     -11.387930      5.666332      6.324666
  H      -9.001776      5.116358      6.593534
  H       1.002150      1.027120      3.777690
  H      -0.696985      1.091271      3.316440
  H       0.278037     -0.600742      5.696092
  H      -1.106746     -2.322141      4.918114
  H      -1.892647     -0.023214      0.122343
  H      -5.285704     -3.075798      0.533893
  H      -6.090393     -4.579444      2.364664
  H      -4.926279     -4.587709      4.568421
  H      -2.977782     -3.140361      4.959109
  H      -2.641382     -0.945821      7.669962
  H      -3.556247     -0.207578      6.342259
  H      -4.079983      0.416355      9.321381
  H      -6.341137      0.488445      8.840661
  H      -5.804404     -1.391298      3.823098
  H     -10.127456      0.095907      4.121263
  H     -11.434902      1.380756      5.823033
  H     -10.347546      2.089285      7.949106
  H      -8.003641      1.501978      8.412046
  N      -1.764529      4.175936      4.277711
  H      -0.873926      4.670646      4.181217
  H      -2.488921      4.864264      4.496765
  H      -1.985184      3.776584      3.361756
  N      -3.141723      1.621649      4.616396
  N      -3.710311      1.084387      3.773894
95
Coordinates from ORCA-job orca E -6310.861976731991
  N      -3.088020      4.069268      6.784112
  Mo     -2.033067      2.484653      5.969295
  N      -2.327778      1.145661      7.390540
  C      -1.442935      1.177946      8.547928
  C      -1.013620      2.611760      8.817636
  N      -0.613594      3.262869      7.536989
  C      -0.845753      4.725688      7.548503
  C      -2.345767      4.999239      7.622762
  C       0.785959      2.909816      7.169760
  C       0.887251      2.720790      5.660252
  N      -0.240974      1.925342      5.223376
  H      -2.529325      6.058525      7.346028
  H      -2.677039      4.917966      8.680594
  H      -0.421828      5.122026      6.614924
  H      -0.316215      5.210598      8.390885
  H       1.849114      2.232484      5.421595
  H       0.918074      3.715182      5.160588
  H       1.019979      1.953099      7.655690
  H       1.486363      3.672568      7.553442
  H      -1.922625      0.780394      9.461156
  H      -0.555813      0.533196      8.360765
  H      -1.868048      3.165259      9.225282
  H      -0.188448      2.664440      9.549852
  C      -4.481088      3.978283      7.219482
  C      -5.401794      3.548328      6.125852
  C      -6.609347      4.090067      5.889562
  C      -7.481045      3.644516      4.800495
  N      -6.942431      2.882858      3.845605
  C      -7.737992      2.492086      2.826240
  N      -9.010291      2.795749      2.628079
  C      -9.594905      3.561143      3.596089
  C     -10.967581      3.891827      3.470266
  C     -11.597739      4.629292      4.450448
  C     -10.883607      5.066890      5.590516
  C      -9.543631      4.768084      5.732494
  C      -8.865688      4.016622      4.740549
  C      -0.016144      0.932180      4.177783
  C      -0.219407     -0.442715      4.744749
  C      -1.016859     -1.438915      4.299416
  C      -1.810482     -1.454575      3.075990
  N      -1.438144     -0.678878      2.050793
  C      -2.196035     -0.719949      0.929221
  N      -3.248195     -1.476698      0.682049
  C      -3.647071     -2.292618      1.705987
  C      -4.773945     -3.128811      1.513447
  C      -5.217449     -3.943580      2.535011
  C      -4.559621     -3.943795      3.785789
  C      -3.458226     -3.138289      3.998890
  C      -2.963397     -2.308696      2.962558
  C      -3.213532     -0.023667      7.347385
  C      -4.374154      0.197448      8.268300
  C      -5.697986      0.236384      7.989475
  C      -6.371705     -0.011751      6.719362
  N      -5.722443     -0.651749      5.741069
  C      -6.386137     -0.876298      4.583526
  N      -7.650631     -0.609324      4.309084
  C      -8.347872      0.041711      5.288745
  C      -9.704995      0.373559      5.052209
  C     -10.425246      1.073582      5.997151
  C      -9.814746      1.475223      7.206123
  C      -8.496459      1.155065      7.465801
  C      -7.735712      0.414420      6.527097
  H      -4.820335      4.958143      7.607876
  H      -4.576345      3.258906      8.069260
  H      -5.070061      2.728586      5.485957
  H      -6.970101      4.899077      6.529066
  H      -7.261276      1.852251      2.077188
  H     -11.498897      3.533440      2.587443
  H     -12.656683      4.875409      4.352246
  H     -11.398318      5.642500      6.361637
  H      -9.010112      5.098114      6.623904
  H       1.016200      1.014833      3.784573
  H      -0.680914      1.082944      3.314891
  H       0.281400     -0.600615      5.706556
  H      -1.107914     -2.320964      4.935541
  H      -1.874666     -0.050166      0.124142
  H      -5.275844     -3.093354      0.545619
  H      -6.091827     -4.579225      2.385865
  H      -4.936985     -4.571392      4.594430
  H      -2.985967     -3.126551      4.980678
  H      -2.662816     -0.936242      7.659935
  H      -3.564136     -0.192096      6.325572
  H      -4.096731      0.447581      9.298968
  H      -6.355081      0.518585      8.813831
  H      -5.803290     -1.359175      3.795243
  H     -10.139954      0.081611      4.095647
  H     -11.464416      1.343301      5.802140
  H     -10.387677      2.051460      7.934331
  H      -8.039895      1.488609      8.397423
  N      -1.741257      4.185357      4.275572
  H      -0.846392      4.672434      4.179260
  H      -2.459491      4.878469      4.500225
  H      -1.967523      3.792133      3.358308
  N      -3.127565      1.634841      4.599887
  N      -3.693880      1.101974      3.753046
95
Coordinates from ORCA-job orca E -6310.861979731506
  N      -3.089262      4.067524      6.787924
  Mo     -2.033956      2.484571      5.970198
  N      -2.325835      1.143454      7.390047
  C      -1.439939      1.175103      8.546615
  C      -1.011935      2.608931      8.817795
  N      -0.613659      3.261977      7.537582
  C      -0.846938      4.724624      7.551365
  C      -2.347151      4.997081      7.627084
  C       0.785776      2.910187      7.168716
  C       0.885933      2.722756      5.658854
  N      -0.242263      1.927408      5.221781
  H      -2.531540      6.056560      7.351561
  H      -2.677517      4.914443      8.685093
  H      -0.424103      5.122524      6.617926
  H      -0.317066      5.208871      8.393950
  H       1.847900      2.235201      5.419062
  H       0.916027      3.717749      5.160318
  H       1.020769      1.953123      7.653434
  H       1.486017      3.672941      7.552615
  H      -1.918407      0.775873      9.459777
  H      -0.552291      0.531485      8.357878
  H      -1.866519      3.161207      9.226786
  H      -0.186216      2.661455      9.549432
  C      -4.482696      3.975520      7.221904
  C      -5.401172      3.545775      6.126296
  C      -6.609366      4.085592      5.888737
  C      -7.477538      3.640420      4.796738
  N      -6.935840      2.879249      3.843167
  C      -7.728289      2.488180      2.821495
  N      -9.000291      2.790967      2.619936
  C      -9.587969      3.555952      3.586404
  C     -10.960625      3.885459      3.457014
  C     -11.594019      4.622308      4.435520
  C     -10.883337      5.060179      5.577693
  C      -9.543558      4.762328      5.723281
  C      -8.862294      4.011638      4.732993
  C      -0.017609      0.934855      4.175453
  C      -0.220133     -0.440276      4.742095
  C      -1.018993     -1.435810      4.297701
  C      -1.813781     -1.450838      3.075041
  N      -1.440470     -0.677108      2.048699
  C      -2.199469     -0.717372      0.927856
  N      -3.253580     -1.471966      0.682288
  C      -3.653601     -2.285756      1.707416
  C      -4.782573     -3.119513      1.516626
  C      -5.227423     -3.931883      2.539530
  C      -4.568960     -3.932031      3.789965
  C      -3.465511     -3.128848      4.001359
  C      -2.969085     -2.302044      2.963561
  C      -3.210399     -0.026706      7.346278
  C      -4.369573      0.192447      8.269467
  C      -5.693820      0.231512      7.992896
  C      -6.369415     -0.014899      6.723496
  N      -5.722245     -0.655485      5.744228
  C      -6.387635     -0.878594      4.587369
  N      -7.651894     -0.609049      4.314225
  C      -8.346891      0.042822      5.294888
  C      -9.703544      0.377488      5.059814
  C     -10.421602      1.078204      6.005901
  C      -9.809183      1.477753      7.214622
  C      -8.491210      1.155067      7.472732
  C      -7.732816      0.413605      6.532873
  H      -4.822995      4.954900      7.610710
  H      -4.578826      3.255455      8.070989
  H      -5.066653      2.728179      5.484911
  H      -6.973095      4.892458      6.529262
  H      -7.249085      1.848865      2.073674
  H     -11.489215      3.526780      2.572659
  H     -12.652888      4.867598      4.334396
  H     -11.400557      5.635249      6.347513
  H      -9.012860      5.092871      6.616156
  H       1.014326      1.018129      3.781360
  H      -0.683289      1.085677      3.313292
  H       0.281852     -0.598525      5.703221
  H      -1.110517     -2.317625      4.934124
  H      -1.877308     -0.049106      0.121848
  H      -5.284995     -3.084035      0.549084
  H      -6.103324     -4.565709      2.391625
  H      -4.947275     -4.557807      4.599576
  H      -2.992311     -3.117183      4.982684
  H      -2.658381     -0.939245      7.656513
  H      -3.562303     -0.193819      6.324698
  H      -4.090579      0.441482      9.299991
  H      -6.349616      0.512897      8.818575
  H      -5.806322     -1.361852      3.798082
  H     -10.139957      0.087022      4.103449
  H     -11.460512      1.350007      5.812134
  H     -10.380330      2.054623      7.943770
  H      -8.033066      1.487242      8.404122
  N      -1.745086      4.187292      4.278203
  H      -0.850843      4.675531      4.182224
  H      -2.464124      4.879368      4.503348
  H      -1.970964      3.794577      3.360630
  N      -3.129088      1.635572      4.600887
  N      -3.695821      1.103497      3.753841
95
Coordinates from ORCA-job orca E -6310.861981762850
  N      -3.092589      4.064892      6.788635
  Mo     -2.035715      2.483717      5.969117
  N      -2.325015      1.140771      7.387828
  C      -1.439060      1.172790      8.544354
  C      -1.013273      2.607014      8.816576
  N      -0.616039      3.261571      7.536810
  C      -0.850828      4.723846      7.551833
  C      -2.351327      4.994677      7.628086
  C       0.783700      2.911479      7.167369
  C       0.883828      2.724991      5.657362
  N      -0.243588      1.928965      5.219769
  H      -2.536713      6.054165      7.353174
  H      -2.681309      4.911186      8.686176
  H      -0.428805      5.122924      6.618508
  H      -0.321326      5.208138      8.394620
  H       1.846308      2.238473      5.417475
  H       0.913221      3.720313      5.159397
  H       1.019707      1.954389      7.651519
  H       1.483223      3.674718      7.551575
  H      -1.916875      0.772063      9.457201
  H      -0.550409      0.530649      8.355137
  H      -1.868665      3.157800      9.225923
  H      -0.187645      2.660225      9.548291
  C      -4.486116      3.972027      7.222230
  C      -5.404736      3.545418      6.125478
  C      -6.612928      4.086258      5.889983
  C      -7.481558      3.644909      4.796863
  N      -6.940608      2.886736      3.840481
  C      -7.733459      2.499919      2.817523
  N      -9.005403      2.803928      2.617453
  C      -9.592340      3.565952      3.586720
  C     -10.964920      3.896508      3.458979
  C     -11.597561      4.630557      4.440019
  C     -10.886166      5.064570      5.583229
  C      -9.546474      4.765647      5.727277
  C      -8.866029      4.017553      4.734451
  C      -0.017658      0.935780      4.174311
  C      -0.217568     -0.439077      4.742641
  C      -1.015839     -1.435947      4.300160
  C      -1.811395     -1.453267      3.078067
  N      -1.439232     -0.680694      2.050429
  C      -2.198476     -0.723365      0.929880
  N      -3.251786     -1.479569      0.685674
  C      -3.650811     -2.291973      1.712248
  C      -4.779049     -3.127090      1.523123
  C      -5.223106     -3.937914      2.547596
  C      -4.564552     -3.935244      3.797973
  C      -3.461729     -3.130774      4.007701
  C      -2.966130     -2.305462      2.968348
  C      -3.207720     -0.030763      7.343095
  C      -4.366775      0.186157      8.266882
  C      -5.690930      0.225862      7.990247
  C      -6.365934     -0.017846      6.719992
  N      -5.719028     -0.658491      5.740605
  C      -6.384153     -0.879730      4.583219
  N      -7.647972     -0.608455      4.309709
  C      -8.342477      0.043874      5.290402
  C      -9.698623      0.380427      5.055199
  C     -10.415886      1.081956      6.001316
  C      -9.803144      1.480348      7.210294
  C      -8.485788      1.155475      7.468673
  C      -7.728366      0.413117      6.528792
  H      -4.826220      4.950622      7.613232
  H      -4.582653      3.250399      8.069940
  H      -5.070736      2.729572      5.481605
  H      -6.976351      4.890753      6.533604
  H      -7.254742      1.863041      2.067335
  H     -11.493941      3.540877      2.573658
  H     -12.656333      4.876655      4.340039
  H     -11.402713      5.637526      6.355048
  H      -9.015402      5.093342      6.620947
  H       1.013820      1.020509      3.779405
  H      -0.684279      1.084500      3.312528
  H       0.285464     -0.595470      5.703525
  H      -1.106158     -2.317067      4.937740
  H      -1.877354     -0.055921      0.122781
  H      -5.281615     -3.093732      0.555581
  H      -6.098553     -4.572711      2.400909
  H      -4.942236     -4.559778      4.608846
  H      -2.988264     -3.116889      4.988862
  H      -2.654172     -0.942778      7.651922
  H      -3.559697     -0.197142      6.321450
  H      -4.087882      0.433184      9.297897
  H      -6.347026      0.505609      8.816288
  H      -5.803153     -1.363398      3.793887
  H     -10.135343      0.090700      4.098757
  H     -11.454399      1.355295      5.807495
  H     -10.373640      2.057958      7.939329
  H      -8.027120      1.486709      8.400154
  N      -1.749196      4.187628      4.277829
  H      -0.855853      4.677670      4.182815
  H      -2.469757      4.878309      4.502283
  H      -1.973397      3.794626      3.359971
  N      -3.130090      1.634434      4.599466
  N      -3.695978      1.102447      3.751772
95
Coordinates from ORCA-job orca E -6310.861982816601
  N      -3.092991      4.064396      6.788455
  Mo     -2.035703      2.484094      5.967299
  N      -2.324895      1.139363      7.384431
  C      -1.439759      1.170594      8.541579
  C      -1.014610      2.604688      8.815342
  N      -0.616791      3.260478      7.536361
  C      -0.851445      4.722738      7.552685
  C      -2.351970      4.993608      7.628590
  C       0.783064      2.910523      7.167287
  C       0.884006      2.725399      5.657136
  N      -0.243368      1.930216      5.217899
  H      -2.537114      6.053300      7.354219
  H      -2.682169      4.909565      8.686571
  H      -0.429118      5.122704      6.619862
  H      -0.322219      5.206253      8.396114
  H       1.846578      2.238934      5.417512
  H       0.914032      3.721171      5.160095
  H       1.018648      1.952954      7.650663
  H       1.482490      3.673288      7.552571
  H      -1.918220      0.769007      9.453716
  H      -0.550824      0.528703      8.352712
  H      -1.870392      3.154951      9.224576
  H      -0.189487      2.657486      9.547688
  C      -4.486595      3.971032      7.221518
  C      -5.405081      3.548086      6.123245
  C      -6.615279      4.086437      5.892010
  C      -7.483764      3.647868      4.797738
  N      -6.943129      2.891034      3.840094
  C      -7.736071      2.505927      2.816639
  N      -9.008133      2.810065      2.617356
  C      -9.594723      3.570880      3.587751
  C     -10.967416      3.901437      3.460826
  C     -11.599906      4.634216      4.442892
  C     -10.888188      5.066967      5.586431
  C      -9.548439      4.767985      5.729723
  C      -8.868163      4.021042      4.735880
  C      -0.016422      0.936884      4.172700
  C      -0.213540     -0.437937      4.742136
  C      -1.012322     -1.435415      4.302031
  C      -1.810433     -1.453466      3.081626
  N      -1.440721     -0.680956      2.053062
  C      -2.201914     -0.724636      0.933865
  N      -3.254757     -1.482179      0.691655
  C      -3.651347     -2.294403      1.719262
  C      -4.778931     -3.130915      1.532410
  C      -5.220697     -3.941318      2.558230
  C      -4.560568     -3.936789      3.807768
  C      -3.458285     -3.130996      4.015254
  C      -2.964859     -2.306330      2.974409
  C      -3.206707     -0.032833      7.337768
  C      -4.365995      0.182349      8.261762
  C      -5.690195      0.222287      7.985303
  C      -6.365199     -0.019270      6.714624
  N      -5.718538     -0.659033      5.734475
  C      -6.383759     -0.878575      4.576807
  N      -7.647502     -0.606559      4.303593
  C      -8.341786      0.044669      5.285166
  C      -9.697883      0.381710      5.050536
  C     -10.415005      1.081963      5.997702
  C      -9.802102      1.478481      7.207256
  C      -8.484713      1.153203      7.465003
  C      -7.727478      0.412206      6.523980
  H      -4.826267      4.948770      7.615177
  H      -4.583993      3.247430      8.067456
  H      -5.069539      2.736987      5.474157
  H      -6.980519      4.886060      6.540617
  H      -7.257489      1.870271      2.065363
  H     -11.496572      3.546790      2.575184
  H     -12.658767      4.880191      4.343492
  H     -11.404527      5.638968      6.359097
  H      -9.017380      5.094913      6.623660
  H       1.014414      1.023447      3.776646
  H      -0.684340      1.084060      3.311690
  H       0.292283     -0.593562      5.701643
  H      -1.100660     -2.316506      4.939971
  H      -1.883046     -0.056982      0.126054
  H      -5.282922     -3.098867      0.565568
  H      -6.095664     -4.577200      2.413217
  H      -4.936662     -4.560854      4.619742
  H      -2.983429     -3.115487      4.995718
  H      -2.652523     -0.944819      7.645397
  H      -3.558134     -0.198144      6.315772
  H      -4.087214      0.427440      9.293274
  H      -6.346327      0.500259      8.811937
  H      -5.802981     -1.361554      3.786906
  H     -10.134746      0.093258      4.093768
  H     -11.453530      1.355740      5.804403
  H     -10.372514      2.054961      7.937234
  H      -8.025925      1.483019      8.396941
  N      -1.748715      4.189331      4.277865
  H      -0.855471      4.679904      4.184662
  H      -2.469996      4.879625      4.501137
  H      -1.971032      3.796589      3.359439
  N      -3.129226      1.635979      4.596345
  N      -3.694384      1.105015      3.747520
