123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.732375232670
  N      -2.767218     -3.905827      2.941557
  C      -2.594855     -5.074379      2.114594
  C      -3.300496     -6.244577      2.793252
  N      -4.607789     -5.814354      3.279955
  C      -5.567038     -5.714496      2.185318
  C      -6.641848     -4.675252      2.498383
  N      -6.018386     -3.501959      3.062241
  Mo     -4.360329     -3.893790      4.096498
  N      -3.972720     -4.951065      5.716301
  C      -4.285244     -6.355132      5.648531
  C      -5.080040     -6.652382      4.370963
  H      -4.903671     -6.677599      6.504689
  H      -3.368104     -6.973715      5.668177
  H      -6.124947     -6.391969      4.551659
  H      -5.022146     -7.723092      4.117530
  H      -7.175692     -4.449912      1.559477
  H      -7.389024     -5.114558      3.186947
  H      -5.021834     -5.364955      1.305971
  H      -6.019135     -6.691741      1.956083
  H      -1.532670     -5.344096      1.998404
  H      -2.996243     -4.916867      1.095264
  H      -2.706965     -6.524079      3.665110
  H      -3.387353     -7.111345      2.120629
  C      -0.698834     -2.908439      1.906750
  C      -2.120165     -2.715159      2.455745
  C      -3.028891     -2.018658      1.414161
  C      -2.745432     -0.523742      1.234756
  C      -3.790998      0.101230      0.358368
  C      -5.053991      0.389094      0.864626
  C      -6.037532      0.927723      0.059508
  C      -5.787475      1.202162     -1.283691
  C      -6.833635      1.778661     -2.142251
  C      -6.530884      2.788492     -3.053480
  C      -7.515400      3.330395     -3.859196
  C      -8.818797      2.869247     -3.772994
  C      -9.131470      1.864457     -2.872185
  C      -8.149047      1.325282     -2.062120
  C      -4.522709      0.915179     -1.791148
  C      -3.543580      0.369961     -0.981948
  C      -7.877631     -2.001579      2.312969
  C      -6.936533     -2.463355      3.438672
  C      -7.772029     -2.844750      4.693154
  C      -6.855373     -3.294599      5.827626
  C      -7.411360     -4.312057      6.766400
  C      -8.072904     -5.457574      6.329379
  C      -8.539989     -6.403031      7.219052
  C      -8.358875     -6.249207      8.593248
  C      -8.854840     -7.253381      9.542019
  C      -8.797175     -8.614057      9.240810
  C      -9.255556     -9.558418     10.140581
  C      -9.786132     -9.162889     11.357747
  C      -9.853761     -7.814342     11.667586
  C      -9.392493     -6.869874     10.770451
  C      -7.693388     -5.107555      9.036874
  C      -7.234136     -4.162855      8.141567
  C      -1.694635     -4.936983      6.675833
  C      -3.175097     -4.543393      6.840932
  C      -3.748205     -4.945520      8.227631
  C      -3.231565     -6.249959      8.851081
  C      -4.019349     -6.545779     10.094612
  C      -3.701708     -5.932017     11.301186
  C      -4.453123     -6.163493     12.436999
  C      -5.543502     -7.030252     12.403302
  C      -6.345589     -7.288767     13.608468
  C      -6.761047     -8.581598     13.919477
  C      -7.511972     -8.827155     15.053989
  C      -7.869363     -7.784294     15.892858
  C      -7.467383     -6.493697     15.590468
  C      -6.708851     -6.248142     14.460612
  C      -5.857515     -7.651331     11.197388
  C      -5.112432     -7.402931     10.061216
  H      -0.101269     -3.487933      2.607619
  H      -0.222880     -1.939946      1.773831
  H      -0.709951     -3.419194      0.946589
  H      -2.037319     -2.043773      3.322210
  H      -4.058565     -2.159714      1.766590
  H      -2.931030     -2.517920      0.447463
  H      -1.759023     -0.384845      0.789385
  H      -2.747865     -0.037213      2.214111
  H      -5.270249      0.184573      1.903885
  H      -7.006298      1.160002      0.478017
  H      -5.519188      3.163531     -3.115245
  H      -7.265806      4.117583     -4.556618
  H      -9.587266      3.291342     -4.404404
  H     -10.145869      1.497614     -2.802582
  H      -8.397285      0.530608     -1.373000
  H      -4.311885      1.102640     -2.834568
  H      -2.570364      0.149336     -1.398688
  H      -8.641003     -2.748497      2.106222
  H      -7.306260     -1.819840      1.404742
  H      -8.375510     -1.079430      2.604454
  H      -6.314497     -1.598826      3.716368
  H      -8.471596     -3.635647      4.421535
  H      -8.366996     -1.981047      4.998888
  H      -6.541254     -2.421525      6.408141
  H      -5.924407     -3.711254      5.338937
  H      -8.238352     -5.616128      5.272584
  H      -9.070777     -7.267246      6.844674
  H      -8.366520     -8.935221      8.303037
  H      -9.194373    -10.609239      9.893619
  H     -10.143085     -9.900719     12.061476
  H     -10.269073     -7.497675     12.613662
  H      -9.463457     -5.820301     11.016382
  H      -7.512267     -4.973390     10.093633
  H      -6.723114     -3.286610      8.517343
  H      -1.358470     -4.588306      5.699239
  H      -1.087093     -4.473961      7.450053
  H      -1.559774     -6.014105      6.725123
  H      -3.206785     -3.443678      6.811991
  H      -3.531812     -4.139127      8.932758
  H      -4.835430     -5.005958      8.131151
  H      -2.175174     -6.140558      9.102297
  H      -3.336202     -7.076258      8.148263
  H      -2.850245     -5.267247     11.350929
  H      -4.179510     -5.687191     13.368113
  H      -6.475914     -9.400058     13.274040
  H      -7.820387     -9.836986     15.285337
  H      -8.458911     -7.976326     16.777798
  H      -7.747431     -5.674853     16.238268
  H      -6.409170     -5.237174     14.223186
  H      -6.709059     -8.313477     11.147067
  H      -5.384200     -7.884663      9.132248
  N      -4.128118     -1.959276      4.957098
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.778548483325
  N      -2.756554     -3.908915      2.934036
  C      -2.581242     -5.092624      2.107548
  C      -3.281983     -6.266327      2.786571
  N      -4.604102     -5.832515      3.273479
  C      -5.573999     -5.731388      2.169189
  C      -6.644821     -4.689009      2.488167
  N      -6.015591     -3.504228      3.055916
  Mo     -4.349734     -3.879601      4.095458
  N      -3.966982     -4.949265      5.715466
  C      -4.283668     -6.365153      5.652422
  C      -5.082744     -6.671560      4.379330
  H      -4.901393     -6.684425      6.512191
  H      -3.365088     -6.985206      5.675536
  H      -6.132195     -6.409576      4.559152
  H      -5.027026     -7.745280      4.129742
  H      -7.180742     -4.463319      1.549384
  H      -7.394520     -5.126254      3.177799
  H      -5.026907     -5.384689      1.285124
  H      -6.027955     -6.710125      1.940641
  H      -1.517006     -5.359537      1.991305
  H      -2.982963     -4.940073      1.085388
  H      -2.687249     -6.546119      3.662865
  H      -3.366593     -7.137223      2.115423
  C      -0.685887     -2.904860      1.903028
  C      -2.109930     -2.702323      2.441549
  C      -3.013078     -2.003870      1.394124
  C      -2.731369     -0.506979      1.215909
  C      -3.776535      0.120700      0.333841
  C      -5.049782      0.402879      0.838032
  C      -6.037766      0.943527      0.026542
  C      -5.784292      1.226425     -1.322048
  C      -6.834303      1.804081     -2.185538
  C      -6.532298      2.821633     -3.099884
  C      -7.521852      3.365396     -3.911376
  C      -8.831368      2.899010     -3.828242
  C      -9.144271      1.886767     -2.924583
  C      -8.156179      1.345866     -2.109402
  C      -4.509433      0.944968     -1.827030
  C      -3.525258      0.397875     -1.011530
  C      -7.875628     -2.003266      2.293255
  C      -6.943107     -2.453723      3.430654
  C      -7.782328     -2.826556      4.687151
  C      -6.878009     -3.268482      5.837152
  C      -7.439957     -4.282846      6.783727
  C      -8.098841     -5.437472      6.345950
  C      -8.566495     -6.388039      7.241888
  C      -8.389976     -6.228769      8.622860
  C      -8.879834     -7.240053      9.576120
  C      -8.807261     -8.606397      9.272804
  C      -9.255412     -9.562262     10.177364
  C      -9.790624     -9.171907     11.402530
  C      -9.873304     -7.817238     11.714680
  C      -9.422307     -6.861987     10.811958
  C      -7.730911     -5.075439      9.066503
  C      -7.270085     -4.126228      8.164659
  C      -1.679411     -4.921690      6.678409
  C      -3.160709     -4.532533      6.847213
  C      -3.735837     -4.939391      8.232173
  C      -3.217461     -6.246908      8.860727
  C      -4.003663     -6.555208     10.107565
  C      -3.690506     -5.940952     11.323435
  C      -4.445447     -6.183090     12.464395
  C      -5.535611     -7.061843     12.428632
  C      -6.341528     -7.330295     13.636614
  C      -6.756134     -8.632366     13.944078
  C      -7.512994     -8.887303     15.081902
  C      -7.877466     -7.844340     15.929808
  C      -7.476625     -6.544404     15.631931
  C      -6.712783     -6.290123     14.498070
  C      -5.843876     -7.684094     11.213832
  C      -5.095707     -7.425244     10.072764
  H      -0.087333     -3.485248      2.613593
  H      -0.205039     -1.932237      1.767669
  H      -0.689199     -3.423538      0.938452
  H      -2.034025     -2.026902      3.308315
  H      -4.047486     -2.139899      1.738786
  H      -2.911656     -2.506685      0.422216
  H      -1.737607     -0.361881      0.774898
  H      -2.740151     -0.022407      2.201905
  H      -5.270469      0.191452      1.882967
  H      -7.015324      1.171341      0.445489
  H      -5.515064      3.201872     -3.159131
  H      -7.270917      4.159512     -4.611060
  H      -9.604632      3.322936     -4.464373
  H     -10.164080      1.514483     -2.856756
  H      -8.404874      0.544321     -1.417521
  H      -4.294213      1.138587     -2.875610
  H      -2.542996      0.181146     -1.427951
  H      -8.644290     -2.754801      2.082663
  H      -7.296231     -1.824754      1.380999
  H      -8.378036     -1.073792      2.576696
  H      -6.320945     -1.588066      3.705967
  H      -8.486514     -3.622643      4.417042
  H      -8.379392     -1.955333      4.981786
  H      -6.558016     -2.390695      6.410679
  H      -5.945852     -3.691772      5.358087
  H      -8.259784     -5.600749      5.281848
  H      -9.093726     -7.262484      6.866487
  H      -8.369898     -8.922457      8.328138
  H      -9.181256    -10.618517      9.927903
  H     -10.139326     -9.918916     12.111293
  H     -10.292253     -7.503528     12.667775
  H      -9.503912     -5.806642     11.060191
  H      -7.552195     -4.936580     10.130064
  H      -6.759642     -3.241127      8.539845
  H      -1.339162     -4.570037      5.698023
  H      -1.069136     -4.454645      7.457487
  H      -1.536965     -6.005524      6.727641
  H      -3.195173     -3.432116      6.816688
  H      -3.523022     -4.127807      8.939605
  H      -4.826576     -5.001218      8.134205
  H      -2.156373     -6.133977      9.113346
  H      -3.316309     -7.078356      8.154078
  H      -2.838437     -5.265275     11.376570
  H      -4.174163     -5.704523     13.402979
  H      -6.465487     -9.452096     13.291347
  H      -7.820100     -9.905769     15.309168
  H      -8.471810     -8.043550     16.818349
  H      -7.762352     -5.723891     16.286410
  H      -6.414518     -5.270658     14.263856
  H      -6.695865     -8.356240     11.159608
  H      -5.366085     -7.908864      9.135773
  N      -4.112079     -2.048882      4.891069
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.816155530417
  N      -2.742690     -3.910706      2.925377
  C      -2.569416     -5.104670      2.098698
  C      -3.267442     -6.282324      2.777289
  N      -4.597884     -5.847605      3.265419
  C      -5.575571     -5.743242      2.157589
  C      -6.641998     -4.696263      2.483750
  N      -6.008544     -3.503155      3.053402
  Mo     -4.334409     -3.865108      4.095101
  N      -3.959248     -4.948968      5.714287
  C      -4.279512     -6.372556      5.652578
  C      -5.080544     -6.685620      4.381108
  H      -4.897186     -6.688091      6.514074
  H      -3.360541     -6.992969      5.679199
  H      -6.131975     -6.421374      4.559287
  H      -5.027332     -7.760782      4.134152
  H      -7.180288     -4.468476      1.546594
  H      -7.391989     -5.130780      3.175398
  H      -5.027670     -5.399360      1.270678
  H      -6.032388     -6.721673      1.929762
  H      -1.504288     -5.369398      1.981432
  H      -2.972503     -4.953759      1.076154
  H      -2.672617     -6.563467      3.655568
  H      -3.351432     -7.154648      2.106592
  C      -0.673142     -2.905190      1.891730
  C      -2.096137     -2.694903      2.427227
  C      -2.998956     -1.996544      1.380764
  C      -2.719097     -0.498641      1.202711
  C      -3.766549      0.130375      0.320995
  C      -5.044656      0.408160      0.827929
  C      -6.037800      0.950071      0.016279
  C      -5.786705      1.239279     -1.335931
  C      -6.841294      1.817553     -2.198044
  C      -6.543192      2.840510     -3.114221
  C      -7.538304      3.385607     -3.925488
  C      -8.850944      2.915544     -3.840586
  C      -9.160615      1.897988     -2.935164
  C      -8.166454      1.355942     -2.120673
  C      -4.507423      0.962113     -1.843391
  C      -3.517626      0.413799     -1.027760
  C      -7.871563     -2.003901      2.285591
  C      -6.943893     -2.445893      3.428547
  C      -7.782893     -2.815186      4.685864
  C      -6.886296     -3.252591      5.844773
  C      -7.450698     -4.266850      6.794313
  C      -8.107280     -5.425870      6.352597
  C      -8.575776     -6.381676      7.249511
  C      -8.402517     -6.222705      8.634879
  C      -8.889958     -7.239714      9.587863
  C      -8.810480     -8.608636      9.279647
  C      -9.254251     -9.573031     10.184082
  C      -9.792045     -9.188267     11.414712
  C      -9.881786     -7.830862     11.731760
  C      -9.435184     -6.867577     10.828625
  C      -7.747125     -5.063963      9.081733
  C      -7.285298     -4.109434      8.178720
  C      -1.668178     -4.917709      6.681283
  C      -3.147877     -4.528186      6.852079
  C      -3.727644     -4.935461      8.234242
  C      -3.213952     -6.245336      8.867508
  C      -4.001120     -6.557467     10.115096
  C      -3.689273     -5.942976     11.336093
  C      -4.447043     -6.187813     12.479973
  C      -5.539844     -7.069910     12.443880
  C      -6.348030     -7.340014     13.653414
  C      -6.766426     -8.645492     13.960927
  C      -7.526851     -8.901848     15.101354
  C      -7.891464     -7.856511     15.953423
  C      -7.487010     -6.552945     15.656056
  C      -6.719946     -6.297847     14.519135
  C      -5.846614     -7.692795     11.224344
  C      -5.095576     -7.431376     10.080342
  H      -0.072912     -3.486244      2.605498
  H      -0.187954     -1.931641      1.753094
  H      -0.674291     -3.428518      0.925578
  H      -2.022102     -2.017811      3.293728
  H      -4.035166     -2.128942      1.723831
  H      -2.898941     -2.501495      0.406175
  H      -1.723183     -0.348527      0.761429
  H      -2.728720     -0.016084      2.192462
  H      -5.264498      0.191822      1.875549
  H      -7.018418      1.174150      0.438299
  H      -5.523952      3.223886     -3.174647
  H      -7.289133      4.183738     -4.625841
  H      -9.628437      3.340334     -4.476094
  H     -10.182164      1.522190     -2.865438
  H      -8.412429      0.550358     -1.427692
  H      -4.293169      1.160186     -2.894507
  H      -2.532130      0.200445     -1.446640
  H      -8.642108     -2.757936      2.072503
  H      -7.288937     -1.826500      1.371227
  H      -8.377776     -1.071163      2.563752
  H      -6.322250     -1.579262      3.701771
  H      -8.488294     -3.614761      4.416522
  H      -8.382001     -1.940474      4.973982
  H      -6.563488     -2.372824      6.415595
  H      -5.954397     -3.678307      5.372824
  H      -8.264851     -5.588607      5.284684
  H      -9.100507     -7.260262      6.871597
  H      -8.370043     -8.919195      8.331096
  H      -9.174009    -10.630813      9.930373
  H     -10.136945     -9.941254     12.123602
  H     -10.302498     -7.521001     12.688627
  H      -9.521724     -5.810356     11.080583
  H      -7.570613     -4.925143     10.148800
  H      -6.775942     -3.220601      8.555262
  H      -1.323331     -4.565778      5.699709
  H      -1.055724     -4.450035      7.462984
  H      -1.522741     -6.004838      6.730382
  H      -3.181916     -3.427906      6.820447
  H      -3.515795     -4.121263      8.942615
  H      -4.820385     -4.994863      8.133820
  H      -2.150643     -6.133655      9.122472
  H      -3.310948     -7.079718      8.159690
  H      -2.835503     -5.264347     11.390936
  H      -4.175817     -5.708412     13.421666
  H      -6.475883     -9.467076     13.305475
  H      -7.836107     -9.923103     15.327411
  H      -8.488168     -8.056488     16.843854
  H      -7.772442     -5.730192     16.312734
  H      -6.419328     -5.275738     14.285345
  H      -6.700317     -8.367459     11.168215
  H      -5.366316     -7.915766      9.140013
  N      -4.098840     -2.160768      4.824292
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.839386845043
  N      -2.731505     -3.902138      2.921767
  C      -2.562700     -5.103710      2.096578
  C      -3.258559     -6.286055      2.773005
  N      -4.593724     -5.854805      3.261269
  C      -5.577217     -5.744909      2.154703
  C      -6.639363     -4.693834      2.489648
  N      -6.005433     -3.494050      3.060309
  Mo     -4.320960     -3.838015      4.102724
  N      -3.953969     -4.941615      5.718154
  C      -4.275435     -6.369921      5.654064
  C      -5.077496     -6.689387      4.383550
  H      -4.892928     -6.682914      6.516683
  H      -3.355820     -6.989379      5.683951
  H      -6.130119     -6.423855      4.559761
  H      -5.025936     -7.765689      4.139323
  H      -7.180322     -4.462684      1.554898
  H      -7.388900     -5.126662      3.182718
  H      -5.029415     -5.402847      1.265826
  H      -6.037499     -6.722204      1.926374
  H      -1.496935     -5.365961      1.978207
  H      -2.966798     -4.953438      1.074218
  H      -2.664659     -6.569482      3.652547
  H      -3.340614     -7.158299      2.101110
  C      -0.662448     -2.903528      1.883419
  C      -2.083715     -2.683228      2.415602
  C      -2.985811     -1.988535      1.368244
  C      -2.707057     -0.490594      1.185217
  C      -3.756187      0.136919      0.303095
  C      -5.036913      0.411302      0.811039
  C      -6.033224      0.950933     -0.000793
  C      -5.784480      1.241566     -1.355004
  C      -6.842146      1.817106     -2.216480
  C      -6.547742      2.839905     -3.136706
  C      -7.546402      3.382819     -3.947887
  C      -8.860051      2.911183     -3.858981
  C      -9.166508      1.893880     -2.949501
  C      -8.168421      1.353987     -2.135579
  C      -4.503103      0.967606     -1.863372
  C      -3.509756      0.421746     -1.047441
  C      -7.871101     -2.002298      2.284514
  C      -6.949031     -2.434059      3.433575
  C      -7.789449     -2.799734      4.690291
  C      -6.902910     -3.229921      5.860447
  C      -7.470547     -4.242858      6.811602
  C      -8.121531     -5.405515      6.366275
  C      -8.589719     -6.364781      7.262318
  C      -8.421942     -6.205145      8.649904
  C      -8.904812     -7.227316      9.601424
  C      -8.815988     -8.596472      9.289408
  C      -9.252239     -9.567667     10.192849
  C      -9.791617     -9.189394     11.426767
  C      -9.890808     -7.831807     11.747526
  C      -9.452017     -6.861948     10.844959
  C      -7.774093     -5.041657      9.099812
  C      -7.312458     -4.083504      8.197558
  C      -1.662985     -4.910425      6.688413
  C      -3.140742     -4.521299      6.862075
  C      -3.723861     -4.933783      8.240013
  C      -3.212355     -6.246355      8.872021
  C      -3.998101     -6.566623     10.119136
  C      -3.687521     -5.955295     11.344156
  C      -4.445155     -6.205771     12.488843
  C      -5.537520     -7.091000     12.451032
  C      -6.345979     -7.365764     13.660336
  C      -6.766861     -8.673246     13.963744
  C      -7.528977     -8.933554     15.104132
  C      -7.892810     -7.890045     15.961673
  C      -7.485846     -6.584364     15.668876
  C      -6.717619     -6.325675     14.531503
  C      -5.842623     -7.711452     11.227994
  C      -5.091639     -7.444414     10.083203
  H      -0.061901     -3.482718      2.601013
  H      -0.171885     -1.931561      1.738099
  H      -0.662566     -3.433571      0.918821
  H      -2.010295     -2.002923      3.279859
  H      -4.023534     -2.115521      1.710011
  H      -2.888439     -2.498344      0.393998
  H      -1.710222     -0.337190      0.743557
  H      -2.716943     -0.007141      2.176028
  H      -5.255809      0.193538      1.860232
  H      -7.015467      1.172318      0.422819
  H      -5.527720      3.224924     -3.199953
  H      -7.299045      4.181008     -4.650984
  H      -9.640541      3.334391     -4.494266
  H     -10.188578      1.516144     -2.876241
  H      -8.411652      0.548341     -1.439379
  H      -4.290088      1.166505     -2.916095
  H      -2.522532      0.210662     -1.467426
  H      -8.640751     -2.759113      2.069047
  H      -7.285149     -1.825594      1.370121
  H      -8.382717     -1.068148      2.555330
  H      -6.328919     -1.565505      3.704419
  H      -8.493943     -3.602559      4.421614
  H      -8.391970     -1.922807      4.969330
  H      -6.578704     -2.347779      6.428241
  H      -5.970241     -3.657846      5.398270
  H      -8.273587     -5.568388      5.296104
  H      -9.109120     -7.247363      6.882267
  H      -8.372638     -8.900885      8.338550
  H      -9.163965    -10.625449      9.935994
  H     -10.130173     -9.947480     12.135449
  H     -10.312568     -7.526584     12.706996
  H      -9.545093     -5.804472     11.099871
  H      -7.601570     -4.902366     10.168971
  H      -6.806508     -3.191451      8.575272
  H      -1.313657     -4.555071      5.708212
  H      -1.049056     -4.445843      7.473526
  H      -1.514839     -5.999303      6.733591
  H      -3.175607     -3.421251      6.832966
  H      -3.513760     -4.120222      8.951792
  H      -4.817697     -4.991286      8.138191
  H      -2.147771     -6.135624      9.128153
  H      -3.306374     -7.080392      8.161103
  H      -2.834212     -5.273743     11.401310
  H      -4.174208     -5.727946     13.433110
  H      -6.477021     -9.493662     13.304116
  H      -7.839695     -9.956759     15.326071
  H      -8.490634     -8.092988     16.852388
  H      -7.770521     -5.762369     16.329127
  H      -6.415470     -5.301712     14.300997
  H      -6.695967     -8.388567     11.169413
  H      -5.362608     -7.926906      9.140105
  N      -4.089374     -2.260701      4.769117
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.848112071571
  N      -2.739990     -3.870684      2.925651
  C      -2.577205     -5.073807      2.101231
  C      -3.266287     -6.263642      2.769682
  N      -4.603642     -5.848611      3.259268
  C      -5.595304     -5.727217      2.163718
  C      -6.655156     -4.681725      2.518398
  N      -6.027531     -3.478754      3.091561
  Mo     -4.323228     -3.782796      4.126375
  N      -3.961999     -4.924275      5.725871
  C      -4.272275     -6.354244      5.650772
  C      -5.078888     -6.678530      4.385955
  H      -4.883044     -6.673464      6.515533
  H      -3.347603     -6.965662      5.679384
  H      -6.132880     -6.416480      4.562002
  H      -5.026570     -7.756066      4.145055
  H      -7.203646     -4.443010      1.590147
  H      -7.401486     -5.119252      3.211400
  H      -5.052192     -5.380839      1.273163
  H      -6.057764     -6.702752      1.929360
  H      -1.510776     -5.330973      1.978043
  H      -2.982172     -4.920068      1.079916
  H      -2.674286     -6.554527      3.648609
  H      -3.340728     -7.131591      2.090472
  C      -0.662386     -2.888769      1.900440
  C      -2.088254     -2.654592      2.409461
  C      -2.976656     -1.972612      1.345057
  C      -2.694274     -0.476232      1.149302
  C      -3.735465      0.150016      0.257155
  C      -5.021440      0.421792      0.753190
  C      -6.012426      0.955728     -0.067960
  C      -5.754380      1.242298     -1.421215
  C      -6.806534      1.812151     -2.292403
  C      -6.504211      2.818469     -3.227904
  C      -7.497777      3.356333     -4.048035
  C      -8.815280      2.897599     -3.951980
  C      -9.130038      1.897266     -3.026916
  C      -8.136511      1.361289     -2.205494
  C      -4.468218      0.970179     -1.917861
  C      -3.479675      0.431381     -1.092041
  C      -7.887201     -1.998692      2.291134
  C      -6.978887     -2.416876      3.453716
  C      -7.829184     -2.775432      4.706144
  C      -6.964454     -3.185027      5.902085
  C      -7.537578     -4.193700      6.855112
  C      -8.169881     -5.365198      6.406550
  C      -8.626156     -6.331884      7.300080
  C      -8.466135     -6.170341      8.688202
  C      -8.923670     -7.207434      9.636236
  C      -8.813723     -8.572546      9.313392
  C      -9.215918     -9.557938     10.216773
  C      -9.741317     -9.198520     11.462046
  C      -9.862473     -7.845524     11.793199
  C      -9.458421     -6.861445     10.890307
  C      -7.842771     -4.994958      9.141303
  C      -7.392707     -4.029120      8.241432
  C      -1.681290     -4.888740      6.709604
  C      -3.159586     -4.508726      6.882850
  C      -3.749399     -4.943174      8.249909
  C      -3.234727     -6.260205      8.869480
  C      -4.008228     -6.599553     10.118895
  C      -3.693412     -5.994331     11.345749
  C      -4.439018     -6.258122     12.494526
  C      -5.524721     -7.151247     12.460578
  C      -6.320521     -7.437341     13.675242
  C      -6.749158     -8.745068     13.965650
  C      -7.499927     -9.015146     15.110896
  C      -7.842209     -7.981715     15.989029
  C      -7.427338     -6.675773     15.709727
  C      -6.672806     -6.407214     14.565894
  C      -5.834147     -7.766549     11.235946
  C      -5.094177     -7.486857     10.087060
  H      -0.069780     -3.455327      2.635059
  H      -0.165635     -1.921027      1.741861
  H      -0.649491     -3.435884      0.945021
  H      -2.027103     -1.966359      3.268260
  H      -4.020275     -2.089179      1.673087
  H      -2.875132     -2.494291      0.377019
  H      -1.692684     -0.323221      0.717325
  H      -2.711397      0.013087      2.137715
  H      -5.247781      0.207295      1.801710
  H      -6.998552      1.176408      0.347617
  H      -5.481078      3.195162     -3.295455
  H      -7.243484      4.142549     -4.762375
  H      -9.592375      3.317714     -4.593765
  H     -10.155107      1.528286     -2.948214
  H      -8.385912      0.567879     -1.497125
  H      -4.247610      1.165589     -2.969916
  H      -2.488417      0.220715     -1.503365
  H      -8.652364     -2.758713      2.069589
  H      -7.292624     -1.822497      1.381889
  H      -8.407833     -1.064529      2.548007
  H      -6.359000     -1.546990      3.721976
  H      -8.528942     -3.583183      4.438100
  H      -8.441604     -1.897801      4.963296
  H      -6.638144     -2.296526      6.459968
  H      -6.028680     -3.618521      5.461621
  H      -8.313052     -5.529991      5.335290
  H      -9.128158     -7.223818      6.917932
  H      -8.376415     -8.861386      8.354812
  H      -9.109096    -10.612194      9.951753
  H     -10.051660     -9.967792     12.171900
  H     -10.274376     -7.554518     12.761428
  H      -9.566371     -5.807382     11.154427
  H      -7.675322     -4.854084     10.211343
  H      -6.897076     -3.131326      8.620082
  H      -1.322763     -4.515664      5.739054
  H      -1.072841     -4.436264      7.507190
  H      -1.525892     -5.977658      6.738659
  H      -3.203808     -3.409088      6.864710
  H      -3.546735     -4.136736      8.972907
  H      -4.843829     -4.999782      8.146593
  H      -2.168395     -6.150057      9.120876
  H      -3.322796     -7.088822      8.150805
  H      -2.844424     -5.306778     11.400983
  H      -4.163165     -5.784767     13.439919
  H      -6.474975     -9.558447     13.290379
  H      -7.816250    -10.039158     15.321931
  H      -8.430012     -8.192539     16.884798
  H      -7.696361     -5.860439     16.384974
  H      -6.365292     -5.382359     14.345490
  H      -6.683667     -8.449147     11.179073
  H      -5.370231     -7.964455      9.142555
  N      -4.081157     -2.266112      4.759995
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.849626669447
  N      -2.728505     -3.836020      2.926850
  C      -2.577697     -5.045956      2.104047
  C      -3.265036     -6.243615      2.765095
  N      -4.603349     -5.840677      3.258322
  C      -5.605440     -5.703984      2.175900
  C      -6.658194     -4.655233      2.552562
  N      -6.032877     -3.447084      3.128404
  Mo     -4.304710     -3.713808      4.155021
  N      -3.954545     -4.901641      5.738497
  C      -4.263830     -6.334380      5.653096
  C      -5.072919     -6.665026      4.390028
  H      -4.872315     -6.653878      6.519269
  H      -3.337769     -6.942794      5.683968
  H      -6.127403     -6.403094      4.565320
  H      -5.022604     -7.744066      4.152733
  H      -7.214835     -4.407212      1.631882
  H      -7.401110     -5.094210      3.247556
  H      -5.067353     -5.356421      1.282426
  H      -6.075922     -6.675480      1.937428
  H      -1.511421     -5.301042      1.975932
  H      -2.984652     -4.888840      1.084313
  H      -2.674395     -6.542631      3.642565
  H      -3.335478     -7.107204      2.078921
  C      -0.647938     -2.882935      1.885327
  C      -2.069712     -2.627347      2.390123
  C      -2.956102     -1.957186      1.319601
  C      -2.672452     -0.463303      1.105192
  C      -3.715144      0.156182      0.210549
  C      -5.001793      0.425667      0.704923
  C      -5.994245      0.950777     -0.117830
  C      -5.738806      1.230492     -1.472242
  C      -6.793051      1.791383     -2.345134
  C      -6.494396      2.787687     -3.291259
  C      -7.489720      3.317145     -4.112749
  C      -8.806360      2.860773     -4.007352
  C      -9.117868      1.870647     -3.071610
  C      -8.122293      1.342598     -2.249534
  C      -4.452660      0.959934     -1.967311
  C      -3.462347      0.430417     -1.139611
  C      -7.898815     -1.985372      2.317128
  C      -6.998696     -2.388056      3.488476
  C      -7.855549     -2.742098      4.739012
  C      -7.012600     -3.137287      5.957297
  C      -7.589958     -4.146642      6.907029
  C      -8.205743     -5.321857      6.448012
  C      -8.656249     -6.297392      7.332545
  C      -8.507018     -6.141497      8.721652
  C      -8.950185     -7.193786      9.659089
  C      -8.819597     -8.552909      9.321853
  C      -9.202026     -9.553340     10.215519
  C      -9.727458     -9.215587     11.465813
  C      -9.869480     -7.869189     11.811085
  C      -9.486040     -6.869964     10.917495
  C      -7.904035     -4.960396      9.185149
  C      -7.459909     -3.984729      8.294048
  C      -1.677740     -4.885632      6.726575
  C      -3.152033     -4.501684      6.906886
  C      -3.746893     -4.952798      8.264856
  C      -3.239032     -6.277705      8.871394
  C      -4.008113     -6.631001     10.118879
  C      -3.688635     -6.036765     11.349132
  C      -4.429141     -6.307812     12.497731
  C      -5.515728     -7.198328     12.461870
  C      -6.307898     -7.489535     13.676627
  C      -6.746555     -8.795117     13.957277
  C      -7.495635     -9.068800     15.101384
  C      -7.825477     -8.041374     15.989850
  C      -7.400290     -6.737563     15.720892
  C      -6.648569     -6.465446     14.577447
  C      -5.829292     -7.804193     11.234455
  C      -5.093947     -7.517158     10.085484
  H      -0.057204     -3.441519      2.627526
  H      -0.140560     -1.923048      1.708673
  H      -0.637961     -3.445322      0.938705
  H      -2.005247     -1.929707      3.240779
  H      -4.001724     -2.060787      1.646336
  H      -2.862313     -2.492326      0.357955
  H      -1.671067     -0.310141      0.672354
  H      -2.688287      0.033818      2.090140
  H      -5.227456      0.215347      1.754364
  H      -6.980740      1.170124      0.297358
  H      -5.471490      3.163505     -3.365569
  H      -7.237235      4.096312     -4.835201
  H      -9.585493      3.274904     -4.650279
  H     -10.142474      1.502507     -2.985310
  H      -8.368916      0.556316     -1.532434
  H      -4.233607      1.149646     -3.020616
  H      -2.470696      0.220311     -1.550080
  H      -8.658147     -2.749970      2.091801
  H      -7.299281     -1.807297      1.411299
  H      -8.429695     -1.052897      2.562009
  H      -6.382937     -1.513801      3.753289
  H      -8.550942     -3.553537      4.470131
  H      -8.475357     -1.863827      4.978453
  H      -6.686167     -2.245572      6.511338
  H      -6.075771     -3.573885      5.536579
  H      -8.337433     -5.482543      5.374879
  H      -9.143314     -7.194163      6.942912
  H      -8.378918     -8.823544      8.359680
  H      -9.077894    -10.602690      9.939351
  H     -10.021384     -9.996881     12.169274
  H     -10.281511     -7.594675     12.783894
  H      -9.608999     -5.820572     11.193055
  H      -7.744675     -4.823638     10.256908
  H      -6.974835     -3.083890      8.679034
  H      -1.311919     -4.500274      5.763597
  H      -1.066136     -4.449508      7.531774
  H      -1.524160     -5.975257      6.740193
  H      -3.194908     -3.402285      6.902778
  H      -3.543570     -4.154985      8.998030
  H      -4.842480     -5.000873      8.162138
  H      -2.171385     -6.175296      9.122166
  H      -3.325337     -7.099446      8.144322
  H      -2.838773     -5.350570     11.406619
  H      -4.148796     -5.841754     13.445326
  H      -6.481993     -9.604585     13.273654
  H      -7.819608    -10.091984     15.303960
  H      -8.411804     -8.255197     16.885685
  H      -7.659872     -5.925676     16.403741
  H      -6.333668     -5.441362     14.364474
  H      -6.680008     -8.484815     11.175441
  H      -5.375102     -7.986664      9.138434
  N      -4.049608     -2.254848      4.757793
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.848094017579
  N      -2.752239     -3.877350      2.938845
  C      -2.582314     -5.072304      2.123087
  C      -3.266121     -6.262527      2.784869
  N      -4.604233     -5.862762      3.256632
  C      -5.581278     -5.737446      2.161809
  C      -6.641097     -4.699140      2.508797
  N      -6.025656     -3.500699      3.078796
  Mo     -4.334909     -3.783421      4.128867
  N      -3.985930     -4.928251      5.720805
  C      -4.284774     -6.349794      5.643221
  C      -5.081705     -6.678671      4.379537
  H      -4.897524     -6.669861      6.505979
  H      -3.357277     -6.956204      5.679838
  H      -6.136585     -6.417981      4.542793
  H      -5.025678     -7.758259      4.147071
  H      -7.181316     -4.460972      1.576168
  H      -7.394885     -5.135169      3.194062
  H      -5.030988     -5.390716      1.276045
  H      -6.042392     -6.712353      1.921254
  H      -1.513634     -5.322846      2.006761
  H      -2.979514     -4.920918      1.098548
  H      -2.682518     -6.552648      3.669455
  H      -3.325186     -7.129904      2.102726
  C      -0.674007     -2.883054      1.946329
  C      -2.108528     -2.659370      2.434163
  C      -2.988139     -1.982470      1.361330
  C      -2.709272     -0.483736      1.173169
  C      -3.743817      0.146416      0.276782
  C      -5.032836      0.412677      0.765590
  C      -6.020481      0.945080     -0.059379
  C      -5.755584      1.235370     -1.410032
  C      -6.804878      1.801841     -2.286500
  C      -6.500103      2.803096     -3.225645
  C      -7.490857      3.336861     -4.050731
  C      -8.808233      2.879784     -3.955488
  C      -9.125574      1.884811     -3.026613
  C      -8.134761      1.352309     -2.200931
  C      -4.465235      0.970323     -1.899018
  C      -3.479985      0.433861     -1.068928
  C      -7.865284     -2.025239      2.238882
  C      -6.968798     -2.434103      3.415033
  C      -7.823150     -2.777874      4.658934
  C      -6.961775     -3.170026      5.860926
  C      -7.545473     -4.160369      6.828804
  C      -8.171763     -5.342328      6.399444
  C      -8.630164     -6.291912      7.309409
  C      -8.478031     -6.102530      8.694250
  C      -8.928641     -7.128202      9.657402
  C      -8.811338     -8.496395      9.354533
  C      -9.200922     -9.471116     10.273938
  C      -9.720440     -9.098226     11.516033
  C      -9.849523     -7.742399     11.827279
  C      -9.458748     -6.768742     10.908051
  C      -7.867405     -4.913505      9.128293
  C      -7.417500     -3.963400      8.213249
  C      -1.712841     -4.858721      6.706618
  C      -3.196606     -4.502464      6.877609
  C      -3.780022     -4.954851      8.240543
  C      -3.240231     -6.261436      8.857644
  C      -4.005486     -6.618833     10.107644
  C      -3.704107     -6.005828     11.333172
  C      -4.444018     -6.284401     12.481942
  C      -5.510462     -7.200641     12.449403
  C      -6.301627     -7.501944     13.663594
  C      -6.712988     -8.815526     13.948662
  C      -7.460467     -9.100081     15.092088
  C      -7.815464     -8.075831     15.974829
  C      -7.417712     -6.764269     15.701128
  C      -6.667626     -6.480928     14.558311
  C      -5.805668     -7.823995     11.226358
  C      -5.071532     -7.530057     10.077597
  H      -0.086074     -3.443581      2.689619
  H      -0.182581     -1.912677      1.792993
  H      -0.642520     -3.430014      0.991251
  H      -2.066385     -1.973634      3.296353
  H      -4.035870     -2.104287      1.675838
  H      -2.876450     -2.500238      0.392982
  H      -1.703624     -0.325349      0.752331
  H      -2.735777      0.001347      2.163544
  H      -5.262812      0.196456      1.812629
  H      -7.009551      1.161650      0.351216
  H      -5.476996      3.179350     -3.292037
  H      -7.234513      4.119681     -4.767752
  H      -9.583442      3.297116     -4.601059
  H     -10.150666      1.516392     -2.948882
  H      -8.386074      0.562283     -1.489824
  H      -4.238890      1.168928     -2.949117
  H      -2.485610      0.227217     -1.474685
  H      -8.632081     -2.783680      2.019632
  H      -7.265043     -1.861189      1.331765
  H      -8.385410     -1.086127      2.479967
  H      -6.343849     -1.566586      3.678960
  H      -8.524772     -3.586429      4.399037
  H      -8.436649     -1.896003      4.901510
  H      -6.631386     -2.272855      6.403432
  H      -6.018606     -3.614801      5.431188
  H      -8.306937     -5.529179      5.330887
  H      -9.127856     -7.193878      6.944400
  H      -8.375783     -8.795860      8.399590
  H      -9.087072    -10.527995     10.024502
  H     -10.019842     -9.859451     12.239241
  H     -10.257303     -7.440726     12.793164
  H      -9.571859     -5.712271     11.157548
  H      -7.709916     -4.749035     10.196450
  H      -6.936691     -3.050540      8.578169
  H      -1.354634     -4.475517      5.739978
  H      -1.113903     -4.401915      7.508495
  H      -1.540177     -5.945063      6.731821
  H      -3.260754     -3.403887      6.859133
  H      -3.596378     -4.146998      8.967272
  H      -4.870454     -5.034146      8.136918
  H      -2.175895     -6.131679      9.107498
  H      -3.308165     -7.091334      8.138161
  H      -2.869796     -5.300068     11.387329
  H      -4.178270     -5.804402     13.426462
  H      -6.428418     -9.622105     13.269868
  H      -7.763115    -10.128838     15.298829
  H      -8.400282     -8.298166     16.869880
  H      -7.697582     -5.955579     16.379567
  H      -6.374327     -5.451408     14.341702
  H      -6.640853     -8.524335     11.170439
  H      -5.337789     -8.013770      9.133830
  N      -4.068893     -2.213450      4.768179
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.857841915189
  N      -2.747575     -3.883894      2.917582
  C      -2.589959     -5.074855      2.104353
  C      -3.260249     -6.272544      2.759499
  N      -4.595859     -5.897213      3.233853
  C      -5.581325     -5.749767      2.158739
  C      -6.632779     -4.717697      2.534196
  N      -6.023591     -3.523933      3.105944
  Mo     -4.311287     -3.760508      4.138444
  N      -3.975158     -4.948160      5.706630
  C      -4.268938     -6.363278      5.621110
  C      -5.066332     -6.696278      4.363699
  H      -4.877759     -6.683350      6.486367
  H      -3.339715     -6.966428      5.662250
  H      -6.122040     -6.434207      4.522917
  H      -5.014966     -7.779716      4.142342
  H      -7.184028     -4.466121      1.610650
  H      -7.383703     -5.158688      3.219333
  H      -5.037751     -5.398356      1.270136
  H      -6.051694     -6.719318      1.908010
  H      -1.520776     -5.319190      1.976358
  H      -2.992658     -4.919501      1.082342
  H      -2.675715     -6.572907      3.640499
  H      -3.308453     -7.133612      2.066603
  C      -0.673270     -2.897066      1.927866
  C      -2.108054     -2.665834      2.406070
  C      -2.983121     -1.994057      1.331500
  C      -2.700304     -0.494460      1.146726
  C      -3.732646      0.151352      0.260393
  C      -5.019482      0.413611      0.755173
  C      -6.007916      0.957156     -0.059735
  C      -5.747192      1.262709     -1.407705
  C      -6.797478      1.841824     -2.273372
  C      -6.490424      2.840332     -3.214338
  C      -7.482167      3.386414     -4.028715
  C      -8.804146      2.946309     -3.920133
  C      -9.124327      1.954781     -2.989134
  C      -8.132020      1.408870     -2.175412
  C      -4.459036      1.001194     -1.902721
  C      -3.472612      0.454681     -1.082038
  C      -7.848484     -2.051337      2.244039
  C      -6.968239     -2.453499      3.432150
  C      -7.836171     -2.792429      4.666148
  C      -7.000696     -3.171342      5.891104
  C      -7.586444     -4.171449      6.847767
  C      -8.192564     -5.356736      6.398365
  C      -8.635308     -6.329327      7.291792
  C      -8.486873     -6.161497      8.679482
  C      -8.912226     -7.216859      9.624755
  C      -8.778916     -8.577550      9.290892
  C      -9.139694     -9.577874     10.195404
  C      -9.645421     -9.239521     11.454341
  C      -9.791442     -7.892342     11.796153
  C      -9.429833     -6.893225     10.891712
  C      -7.899501     -4.967726      9.132884
  C      -7.465913     -3.993420      8.234302
  C      -1.716644     -4.890879      6.709627
  C      -3.195997     -4.522064      6.872012
  C      -3.798023     -4.966344      8.227815
  C      -3.285495     -6.276597      8.857236
  C      -4.048288     -6.611073     10.112563
  C      -3.726493     -5.990651     11.328594
  C      -4.459119     -6.242565     12.485382
  C      -5.542042     -7.137791     12.472659
  C      -6.322468     -7.408838     13.699424
  C      -6.772368     -8.706850     13.996659
  C      -7.507506     -8.962550     15.153313
  C      -7.809512     -7.924859     16.040279
  C      -7.373756     -6.628276     15.754746
  C      -6.638121     -6.373818     14.597274
  C      -5.860334     -7.767193     11.258416
  C      -5.130384     -7.501748     10.101441
  H      -0.087512     -3.449975      2.678048
  H      -0.176427     -1.929303      1.765215
  H      -0.635272     -3.452048      0.977793
  H      -2.073570     -1.979509      3.267383
  H      -4.033907     -2.109129      1.639399
  H      -2.877999     -2.512208      0.362234
  H      -1.693514     -0.332473      0.730061
  H      -2.723650     -0.016945      2.141188
  H      -5.245259      0.187003      1.800891
  H      -6.994623      1.171759      0.357198
  H      -5.463598      3.205242     -3.289562
  H      -7.222921      4.167662     -4.746433
  H      -9.580708      3.374148     -4.556910
  H     -10.152992      1.598118     -2.901214
  H      -8.385563      0.620700     -1.462965
  H      -4.235378      1.211234     -2.951151
  H      -2.479901      0.250438     -1.492709
  H      -8.614650     -2.808183      2.016990
  H      -7.240287     -1.887903      1.342379
  H      -8.373319     -1.111018      2.472593
  H      -6.339533     -1.588435      3.695812
  H      -8.535870     -3.601280      4.401543
  H      -8.458485     -1.910833      4.890143
  H      -6.665151     -2.273790      6.430007
  H      -6.056660     -3.617504      5.487211
  H      -8.321747     -5.527642      5.326531
  H      -9.116993     -7.234205      6.912490
  H      -8.350957     -8.850326      8.323358
  H      -9.011839    -10.627994      9.921479
  H      -9.921080    -10.020630     12.166842
  H     -10.190998     -7.616465     12.774233
  H      -9.555741     -5.843279     11.165740
  H      -7.743243     -4.819565     10.203584
  H      -6.993278     -3.082349      8.612769
  H      -1.342420     -4.508266      5.748912
  H      -1.117751     -4.443277      7.518229
  H      -1.550024     -5.977834      6.735509
  H      -3.255996     -3.424282      6.849546
  H      -3.609551     -4.157705      8.952798
  H      -4.891438     -5.023129      8.121472
  H      -2.217296     -6.167989      9.104054
  H      -3.361690     -7.111431      8.144575
  H      -2.878562     -5.301416     11.368999
  H      -4.174072     -5.758857     13.422495
  H      -6.527275     -9.525081     13.315803
  H      -7.839322     -9.980462     15.368650
  H      -8.383428     -8.124875     16.946912
  H      -7.613432     -5.807773     16.435094
  H      -6.315484     -5.355057     14.371555
  H      -6.710722     -8.449590     11.215064
  H      -5.415599     -7.989063      9.164722
  N      -4.006972     -2.228484      4.750298
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.860286716746
  N      -2.728444     -3.889988      2.885623
  C      -2.573334     -5.081251      2.073616
  C      -3.218584     -6.287178      2.739369
  N      -4.555891     -5.938954      3.222663
  C      -5.557004     -5.783730      2.165318
  C      -6.610273     -4.762041      2.564455
  N      -6.003025     -3.566930      3.131430
  Mo     -4.269580     -3.757621      4.137595
  N      -3.929721     -4.953187      5.696835
  C      -4.202939     -6.371586      5.617544
  C      -5.010712     -6.719929      4.371228
  H      -4.797197     -6.699834      6.491549
  H      -3.264047     -6.961358      5.653537
  H      -6.066734     -6.460403      4.538802
  H      -4.962723     -7.808912      4.170075
  H      -7.180421     -4.510107      1.651478
  H      -7.349054     -5.212504      3.257868
  H      -5.030077     -5.424682      1.269854
  H      -6.029870     -6.751968      1.909025
  H      -1.503143     -5.314954      1.925881
  H      -2.992401     -4.933138      1.056115
  H      -2.621393     -6.581618      3.613400
  H      -3.250469     -7.149107      2.044551
  C      -0.657854     -2.887450      1.896186
  C      -2.096945     -2.667583      2.366174
  C      -2.972738     -2.010618      1.284649
  C      -2.687695     -0.513067      1.087665
  C      -3.730751      0.138331      0.219340
  C      -5.005758      0.410963      0.737390
  C      -6.003977      0.963669     -0.058508
  C      -5.766081      1.268036     -1.410849
  C      -6.825597      1.860330     -2.255468
  C      -6.519673      2.833525     -3.224216
  C      -7.519906      3.393567     -4.017808
  C      -8.850130      2.993808     -3.860169
  C      -9.169652      2.027991     -2.901250
  C      -8.168627      1.467661     -2.108786
  C      -4.490028      0.995586     -1.929068
  C      -3.493498      0.440346     -1.127249
  C      -7.807454     -2.069802      2.250487
  C      -6.940090     -2.481296      3.443522
  C      -7.818383     -2.816447      4.671349
  C      -6.994687     -3.187884      5.905637
  C      -7.582720     -4.185392      6.861681
  C      -8.174612     -5.376104      6.410347
  C      -8.618875     -6.347088      7.302638
  C      -8.489455     -6.170464      8.691954
  C      -8.929260     -7.213607      9.639868
  C      -8.817030     -8.575586      9.315306
  C      -9.191898     -9.560926     10.224551
  C      -9.689708     -9.206556     11.479752
  C      -9.813852     -7.858062     11.812931
  C      -9.439779     -6.874161     10.903172
  C      -7.909855     -4.974695      9.145819
  C      -7.471654     -4.003608      8.247851
  C      -1.693052     -4.847767      6.751231
  C      -3.180965     -4.502133      6.878203
  C      -3.806718     -4.951458      8.221588
  C      -3.291908     -6.254709      8.860612
  C      -4.061565     -6.593641     10.110153
  C      -3.759219     -5.962257     11.325742
  C      -4.497313     -6.220813     12.477889
  C      -5.567281     -7.132858     12.461032
  C      -6.353092     -7.410129     13.682952
  C      -6.820833     -8.706203     13.963052
  C      -7.559967     -8.968005     15.115972
  C      -7.848287     -7.938726     16.016958
  C      -7.395944     -6.643857     15.748181
  C      -6.657215     -6.383121     14.594097
  C      -5.865394     -7.772737     11.247165
  C      -5.129971     -7.500811     10.095008
  H      -0.067714     -3.419379      2.657738
  H      -0.171525     -1.917175      1.717638
  H      -0.608203     -3.457431      0.955253
  H      -2.075485     -1.975530      3.222805
  H      -4.023758     -2.119268      1.594472
  H      -2.874163     -2.537898      0.319330
  H      -1.686728     -0.355303      0.657668
  H      -2.692351     -0.033476      2.081306
  H      -5.211389      0.190753      1.788188
  H      -6.978902      1.189519      0.377626
  H      -5.486348      3.169063     -3.336702
  H      -7.260529      4.155163     -4.756688
  H      -9.633390      3.432886     -4.480252
  H     -10.204551      1.702026     -2.775237
  H      -8.422660      0.698800     -1.375315
  H      -4.283890      1.204401     -2.980774
  H      -2.510645      0.228762     -1.555620
  H      -8.578504     -2.818537      2.015987
  H      -7.192258     -1.907617      1.353564
  H      -8.327207     -1.126982      2.475952
  H      -6.303352     -1.623459      3.709948
  H      -8.514355     -3.627226      4.404729
  H      -8.447698     -1.937817      4.885512
  H      -6.658349     -2.288200      6.440431
  H      -6.047918     -3.640357      5.521200
  H      -8.294520     -5.549799      5.338258
  H      -9.093049     -7.253403      6.921118
  H      -8.395673     -8.861860      8.351408
  H      -9.081133    -10.611746      9.957179
  H      -9.975214     -9.975762     12.195930
  H     -10.206387     -7.569208     12.787761
  H      -9.549520     -5.823221     11.170227
  H      -7.766699     -4.819590     10.217212
  H      -7.004234     -3.091343      8.626155
  H      -1.297384     -4.452636      5.803898
  H      -1.120499     -4.399023      7.578071
  H      -1.510749     -5.932422      6.774599
  H      -3.260527     -3.406551      6.849904
  H      -3.641426     -4.139976      8.949962
  H      -4.899260     -5.015408      8.097074
  H      -2.226230     -6.139097      9.114795
  H      -3.351441     -7.093185      8.149667
  H      -2.921199     -5.260649     11.369692
  H      -4.225628     -5.730128     13.414822
  H      -6.586322     -9.518512     13.272279
  H      -7.904456     -9.984751     15.317766
  H      -8.424639     -8.143684     16.920976
  H      -7.625634     -5.829304     16.438170
  H      -6.323361     -5.365131     14.381275
  H      -6.705826     -8.467308     11.198109
  H      -5.400046     -7.996620      9.158963
  N      -3.967523     -2.239808      4.725304
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.861538452355
  N      -2.765180     -3.896365      2.866934
  C      -2.610229     -5.077612      2.044591
  C      -3.240241     -6.294698      2.703072
  N      -4.578076     -5.971063      3.191250
  C      -5.585519     -5.791700      2.147177
  C      -6.638582     -4.781709      2.574283
  N      -6.031075     -3.597902      3.155385
  Mo     -4.288811     -3.769380      4.137911
  N      -3.951858     -4.985075      5.678555
  C      -4.209982     -6.403644      5.585456
  C      -5.025050     -6.745210      4.343831
  H      -4.792641     -6.750935      6.459801
  H      -3.264502     -6.983889      5.607806
  H      -6.079019     -6.484413      4.517773
  H      -4.984589     -7.836269      4.149078
  H      -7.220358     -4.515932      1.671957
  H      -7.370409     -5.248241      3.264830
  H      -5.067853     -5.414611      1.254247
  H      -6.062275     -6.753417      1.869881
  H      -1.540506     -5.304462      1.881500
  H      -3.038088     -4.923361      1.031442
  H      -2.637179     -6.595616      3.571152
  H      -3.256547     -7.148819      1.996519
  C      -0.679761     -2.883613      1.919495
  C      -2.130029     -2.670031      2.360638
  C      -2.985216     -2.014075      1.262335
  C      -2.683180     -0.520032      1.064593
  C      -3.715798      0.147873      0.196815
  C      -4.987303      0.437216      0.714941
  C      -5.977031      1.006337     -0.079866
  C      -5.734358      1.310731     -1.431556
  C      -6.783794      1.922448     -2.274907
  C      -6.458205      2.869292     -3.263182
  C      -7.448532      3.448637     -4.055170
  C      -8.788825      3.095889     -3.876043
  C      -9.128195      2.156897     -2.897792
  C      -8.137063      1.576607     -2.107516
  C      -4.461617      1.021164     -1.949535
  C      -3.473457      0.449923     -1.148805
  C      -7.801659     -2.064724      2.261058
  C      -6.954878     -2.499733      3.459533
  C      -7.847849     -2.844748      4.672213
  C      -7.034333     -3.219779      5.910649
  C      -7.627762     -4.221445      6.859166
  C      -8.198691     -5.419588      6.399809
  C      -8.619615     -6.407945      7.285010
  C      -8.487787     -6.242845      8.675212
  C      -8.875800     -7.319813      9.613470
  C      -8.726937     -8.674417      9.258166
  C      -9.036073     -9.695013     10.162003
  C      -9.505086     -9.384392     11.442894
  C      -9.669851     -8.043599     11.806041
  C      -9.361008     -7.024313     10.901519
  C      -7.938691     -5.034376      9.137270
  C      -7.524019     -4.045675      8.246429
  C      -1.734889     -4.869121      6.775463
  C      -3.225414     -4.527716      6.875475
  C      -3.866797     -4.974173      8.212180
  C      -3.364241     -6.276546      8.861667
  C      -4.120286     -6.584737     10.126208
  C      -3.793617     -5.936592     11.326449
  C      -4.517970     -6.166527     12.492629
  C      -5.599717     -7.064249     12.505858
  C      -6.370136     -7.311692     13.743322
  C      -6.881879     -8.588873     14.032577
  C      -7.603618     -8.823318     15.201675
  C      -7.829214     -7.785521     16.111614
  C      -7.333453     -6.508860     15.834164
  C      -6.613267     -6.275231     14.663143
  C      -5.923033     -7.718773     11.306656
  C      -5.199893     -7.477019     10.140706
  H      -0.100689     -3.403691      2.697429
  H      -0.196613     -1.912509      1.739232
  H      -0.607977     -3.461654      0.985200
  H      -2.130394     -1.979692      3.218053
  H      -4.042588     -2.112039      1.557101
  H      -2.879722     -2.545696      0.300537
  H      -1.678723     -0.374107      0.638597
  H      -2.682880     -0.041272      2.058875
  H      -5.194270      0.220882      1.766253
  H      -6.947546      1.247382      0.357662
  H      -5.416909      3.170900     -3.391810
  H      -7.173028      4.189547     -4.808633
  H      -9.564324      3.550401     -4.494502
  H     -10.170937      1.866558     -2.755367
  H      -8.407975      0.827536     -1.360494
  H      -4.251836      1.228505     -3.000655
  H      -2.493603      0.225189     -1.577345
  H      -8.576145     -2.803205      2.005789
  H      -7.173165     -1.894603      1.374941
  H      -8.317243     -1.121739      2.492479
  H      -6.309438     -1.655145      3.743329
  H      -8.539038     -3.655240      4.393399
  H      -8.485128     -1.972249      4.885590
  H      -6.698752     -2.322249      6.449277
  H      -6.081677     -3.677729      5.538421
  H      -8.312684     -5.589037      5.326695
  H      -9.071948     -7.323451      6.896601
  H      -8.322233     -8.927675      8.275023
  H      -8.892914    -10.739433      9.870389
  H      -9.735914    -10.181520     12.156403
  H     -10.041566     -7.788535     12.801112
  H      -9.500658     -5.980622     11.194215
  H      -7.791351     -4.886625     10.208398
  H      -7.071188     -3.128387      8.630889
  H      -1.319903     -4.460986      5.842293
  H      -1.179830     -4.430369      7.619609
  H      -1.550982     -5.953489      6.790200
  H      -3.308932     -3.433398      6.843094
  H      -3.703157     -4.162364      8.940218
  H      -4.958751     -5.028050      8.081377
  H      -2.293372     -6.174486      9.100227
  H      -3.441407     -7.123615      8.164294
  H      -2.946228     -5.246663     11.347420
  H      -4.224765     -5.666007     13.417538
  H      -6.695168     -9.409238     13.336501
  H      -7.982041     -9.826075     15.409754
  H      -8.390876     -7.969488     17.028796
  H      -7.514954     -5.686843     16.530272
  H      -6.247024     -5.270338     14.444170
  H      -6.774457     -8.399395     11.278180
  H      -5.490483     -7.983096      9.216432
  N      -3.982650     -2.255678      4.739306
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.863045977697
  N      -2.751701     -3.885078      2.835011
  C      -2.600182     -5.066861      2.005647
  C      -3.206694     -6.293528      2.676229
  N      -4.543910     -5.992290      3.180926
  C      -5.568515     -5.797498      2.155153
  C      -6.620201     -4.792385      2.612118
  N      -6.002627     -3.614188      3.197393
  Mo     -4.245493     -3.767721      4.140304
  N      -3.905392     -4.976795      5.678318
  C      -4.142806     -6.403782      5.584113
  C      -4.974151     -6.752453      4.351833
  H      -4.705829     -6.770062      6.462967
  H      -3.187844     -6.969299      5.586119
  H      -6.024290     -6.488752      4.544962
  H      -4.943509     -7.847636      4.175005
  H      -7.224906     -4.522357      1.726190
  H      -7.333478     -5.273740      3.312539
  H      -5.069580     -5.405878      1.258402
  H      -6.052783     -6.753195      1.866864
  H      -1.533354     -5.286661      1.816016
  H      -3.051434     -4.918163      1.001818
  H      -2.585172     -6.586750      3.533773
  H      -3.209908     -7.146737      1.967255
  C      -0.665749     -2.862716      1.879137
  C      -2.117986     -2.657657      2.320694
  C      -2.976843     -2.016641      1.215410
  C      -2.663715     -0.529781      0.985832
  C      -3.709823      0.136038      0.132867
  C      -4.962998      0.456261      0.678018
  C      -5.963315      1.028753     -0.101402
  C      -5.750973      1.306742     -1.464036
  C      -6.811099      1.923584     -2.291076
  C      -6.492983      2.830716     -3.318163
  C      -7.492369      3.416397     -4.094451
  C      -8.834935      3.109741     -3.861618
  C      -9.167309      2.210240     -2.845425
  C      -8.167395      1.624114     -2.070145
  C      -4.496480      0.985946     -2.008422
  C      -3.497787      0.410389     -1.223658
  C      -7.752862     -2.049158      2.300585
  C      -6.916607     -2.502610      3.498865
  C      -7.818482     -2.859451      4.705000
  C      -7.005827     -3.241575      5.939057
  C      -7.604827     -4.237763      6.889096
  C      -8.166812     -5.440395      6.434386
  C      -8.607190     -6.414921      7.323493
  C      -8.509570     -6.230057      8.714949
  C      -8.934571     -7.282325      9.661463
  C      -8.796566     -8.644392      9.335330
  C      -9.145179     -9.641573     10.245771
  C      -9.643731     -9.300007     11.505114
  C      -9.797698     -7.951128     11.840251
  C      -9.449559     -6.955719     10.929007
  C      -7.962062     -5.019971      9.171465
  C      -7.522360     -4.048073      8.275795
  C      -1.706905     -4.806658      6.818125
  C      -3.207369     -4.500887      6.891805
  C      -3.855343     -4.960355      8.221557
  C      -3.324629     -6.248091      8.877466
  C      -4.087994     -6.576582     10.133193
  C      -3.809245     -5.907253     11.334220
  C      -4.545352     -6.160039     12.488999
  C      -5.588656     -7.104094     12.490888
  C      -6.373559     -7.375057     13.714657
  C      -6.857263     -8.664228     13.994660
  C      -7.599517     -8.919256     15.146710
  C      -7.876002     -7.890946     16.048434
  C      -7.406270     -6.603357     15.782163
  C      -6.664279     -6.349015     14.629256
  C      -5.861312     -7.780283     11.290748
  C      -5.129144     -7.513622     10.135545
  H      -0.083040     -3.362841      2.665825
  H      -0.192726     -1.890504      1.679601
  H      -0.591166     -3.457096      0.956618
  H      -2.123483     -1.958787      3.169696
  H      -4.031567     -2.101053      1.522844
  H      -2.882910     -2.567674      0.263749
  H      -1.668893     -0.404113      0.532811
  H      -2.632172     -0.034993      1.971769
  H      -5.145482      0.263397      1.738293
  H      -6.916805      1.295376      0.357657
  H      -5.449658      3.099284     -3.490028
  H      -7.221213      4.125611     -4.878336
  H      -9.617249      3.568978     -4.468034
  H     -10.212005      1.955439     -2.660652
  H      -8.436039      0.904582     -1.295104
  H      -4.310040      1.169682     -3.067888
  H      -2.533359      0.161982     -1.673229
  H      -8.528289     -2.781654      2.030766
  H      -7.115200     -1.871569      1.422483
  H      -8.265325     -1.106951      2.541251
  H      -6.267490     -1.666620      3.795737
  H      -8.500320     -3.674228      4.415513
  H      -8.465080     -1.996407      4.926159
  H      -6.675763     -2.344315      6.481715
  H      -6.052740     -3.705753      5.578365
  H      -8.261939     -5.622257      5.361503
  H      -9.053747     -7.331354      6.933908
  H      -8.371668     -8.924103      8.369269
  H      -9.010549    -10.692280      9.975592
  H      -9.903527    -10.079006     12.224295
  H     -10.187351     -7.671750     12.820391
  H      -9.583759     -5.906196     11.199993
  H      -7.836826     -4.855891     10.242740
  H      -7.071095     -3.130333      8.656838
  H      -1.283678     -4.372469      5.901886
  H      -1.179880     -4.371358      7.680741
  H      -1.500299     -5.886869      6.816999
  H      -3.316244     -3.409572      6.859408
  H      -3.720451     -4.144419      8.950606
  H      -4.945207     -5.037852      8.078389
  H      -2.259366     -6.117163      9.125100
  H      -3.373554     -7.098753      8.181743
  H      -2.992336     -5.181549     11.364003
  H      -4.288455     -5.641788     13.414435
  H      -6.634510     -9.477624     13.305326
  H      -7.956904     -9.930389     15.346054
  H      -8.454725     -8.090981     16.951377
  H      -7.625814     -5.788689     16.472263
  H      -6.323637     -5.334771     14.418032
  H      -6.684567     -8.494030     11.248693
  H      -5.382522     -8.036098      9.209777
  N      -3.961546     -2.254893      4.744362
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.864077678782
  N      -2.729025     -3.849543      2.815674
  C      -2.583262     -5.028256      1.974977
  C      -3.176865     -6.263852      2.646269
  N      -4.511045     -5.975893      3.166927
  C      -5.546100     -5.758866      2.156376
  C      -6.591987     -4.757723      2.643794
  N      -5.964121     -3.589465      3.243402
  Mo     -4.196332     -3.750666      4.148678
  N      -3.859606     -4.963602      5.680654
  C      -4.081962     -6.395932      5.568999
  C      -4.928792     -6.736389      4.342794
  H      -4.627528     -6.785271      6.447951
  H      -3.120313     -6.948857      5.543805
  H      -5.974172     -6.467863      4.555532
  H      -4.907963     -7.832038      4.167480
  H      -7.212573     -4.476138      1.773954
  H      -7.289218     -5.255501      3.348483
  H      -5.057642     -5.348703      1.262202
  H      -6.038282     -6.705586      1.852854
  H      -1.520163     -5.244569      1.765847
  H      -3.052569     -4.875851      0.980694
  H      -2.542295     -6.556367      3.494735
  H      -3.176294     -7.112282      1.931465
  C      -0.641690     -2.819253      1.859721
  C      -2.095249     -2.621609      2.300063
  C      -2.959715     -1.992027      1.191029
  C      -2.638246     -0.512910      0.924150
  C      -3.700224      0.141413      0.081425
  C      -4.934787      0.493665      0.649752
  C      -5.949555      1.054664     -0.120109
  C      -5.772217      1.288227     -1.496167
  C      -6.849777      1.888389     -2.314037
  C      -6.552486      2.748387     -3.387407
  C      -7.567990      3.317557     -4.156136
  C      -8.906844      3.041410     -3.869738
  C      -9.218749      2.188951     -2.807329
  C      -8.202760      1.619357     -2.039651
  C      -4.536063      0.935632     -2.063337
  C      -3.522250      0.372454     -1.288128
  C      -7.710264     -2.002328      2.369448
  C      -6.875493     -2.476787      3.560211
  C      -7.775835     -2.854303      4.763409
  C      -6.954758     -3.250388      5.986379
  C      -7.555059     -4.250253      6.932333
  C      -8.116891     -5.450373      6.472328
  C      -8.569708     -6.423786      7.356393
  C      -8.480549     -6.243664      8.748737
  C      -8.935642     -7.283447      9.692178
  C      -8.853269     -8.644738      9.358621
  C      -9.244741     -9.628088     10.262277
  C      -9.728926     -9.273075     11.523064
  C      -9.824600     -7.924660     11.866629
  C      -9.436295     -6.943522     10.961420
  C      -7.925453     -5.039929      9.210652
  C      -7.478153     -4.066475      8.319733
  C      -1.679101     -4.791745      6.857259
  C      -3.182929     -4.495896      6.910873
  C      -3.849848     -4.971411      8.226060
  C      -3.341911     -6.276124      8.868167
  C      -4.113283     -6.599576     10.120641
  C      -3.824863     -5.948197     11.330485
  C      -4.566155     -6.201392     12.481929
  C      -5.626927     -7.124640     12.471020
  C      -6.417067     -7.399789     13.690710
  C      -6.943069     -8.680782     13.938411
  C      -7.692599     -8.940686     15.084833
  C      -7.933907     -7.925493     16.014704
  C      -7.420576     -6.646208     15.781962
  C      -6.672118     -6.387128     14.634038
  C      -5.911143     -7.779542     11.260800
  C      -5.171524     -7.515395     10.109821
  H      -0.057011     -3.306654      2.652735
  H      -0.177432     -1.845461      1.649274
  H      -0.564639     -3.424032      0.944614
  H      -2.104518     -1.917437      3.144602
  H      -4.010427     -2.063504      1.513476
  H      -2.877381     -2.563693      0.250699
  H      -1.655007     -0.408708      0.441408
  H      -2.576475      0.003522      1.897452
  H      -5.091948      0.333456      1.719583
  H      -6.887409      1.345621      0.356729
  H      -5.511646      2.994842     -3.603766
  H      -7.311812      3.989231     -4.977713
  H      -9.701643      3.487684     -4.470349
  H     -10.261009      1.958310     -2.579431
  H      -8.458584      0.934931     -1.228642
  H      -4.376252      1.081945     -3.133032
  H      -2.573499      0.098488     -1.756291
  H      -8.484070     -2.730864      2.084456
  H      -7.069124     -1.809251      1.497041
  H      -8.222501     -1.064737      2.628812
  H      -6.226133     -1.647371      3.872954
  H      -8.447903     -3.673489      4.461723
  H      -8.430859     -2.002243      5.002109
  H      -6.629056     -2.357557      6.539582
  H      -6.005973     -3.715130      5.622902
  H      -8.206436     -5.628765      5.398379
  H      -9.018616     -7.334724      6.958827
  H      -8.444922     -8.937049      8.390093
  H      -9.158280    -10.677801      9.984455
  H     -10.023378    -10.041028     12.235549
  H     -10.201580     -7.634614     12.848089
  H      -9.530117     -5.894031     11.238033
  H      -7.809055     -4.876523     10.283355
  H      -7.028529     -3.149872      8.706066
  H      -1.243974     -4.329349      5.960247
  H      -1.170870     -4.377028      7.741299
  H      -1.467759     -5.870788      6.828746
  H      -3.297580     -3.404822      6.887691
  H      -3.715352     -4.168085      8.969529
  H      -4.938797     -5.035979      8.067339
  H      -2.274155     -6.167661      9.116546
  H      -3.412032     -7.118722      8.164245
  H      -2.995324     -5.238312     11.370180
  H      -4.298880     -5.699653     13.414525
  H      -6.748824     -9.486007     13.227536
  H      -8.084739     -9.945590     15.257351
  H      -8.518236     -8.129462     16.913472
  H      -7.610607     -5.841304     16.495512
  H      -6.298496     -5.377530     14.450323
  H      -6.746659     -8.477555     11.207802
  H      -5.432482     -8.023210      9.176900
  N      -3.927080     -2.238905      4.775686
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.865157023749
  N      -2.748424     -3.802639      2.805428
  C      -2.613211     -4.978317      1.958253
  C      -3.202486     -6.217457      2.624860
  N      -4.530095     -5.937297      3.157886
  C      -5.571091     -5.695554      2.165096
  C      -6.604194     -4.697656      2.680512
  N      -5.966721     -3.540776      3.293078
  Mo     -4.189897     -3.711132      4.163432
  N      -3.869984     -4.933705      5.689841
  C      -4.072731     -6.367444      5.551202
  C      -4.933623     -6.698745      4.333252
  H      -4.602032     -6.779947      6.427360
  H      -3.103978     -6.904413      5.499563
  H      -5.974275     -6.426214      4.562729
  H      -4.919679     -7.793967      4.156052
  H      -7.235409     -4.402200      1.825970
  H      -7.288508     -5.207114      3.388134
  H      -5.087337     -5.269787      1.275258
  H      -6.074112     -6.631224      1.848344
  H      -1.554084     -5.195662      1.737747
  H      -3.093886     -4.817704      0.972057
  H      -2.560727     -6.513339      3.467233
  H      -3.203379     -7.060371      1.904101
  C      -0.642890     -2.787057      1.876796
  C      -2.102490     -2.581663      2.293002
  C      -2.954189     -1.959420      1.168661
  C      -2.612957     -0.491217      0.864578
  C      -3.672598      0.153247      0.010388
  C      -4.899019      0.539994      0.575087
  C      -5.912113      1.088562     -0.206235
  C      -5.742591      1.273499     -1.590780
  C      -6.819734      1.856897     -2.421181
  C      -6.522316      2.665065     -3.533480
  C      -7.537711      3.216698     -4.315316
  C      -8.877487      2.975386     -4.003087
  C      -9.189439      2.175036     -2.901356
  C      -8.173501      1.622233     -2.121422
  C      -4.514665      0.885546     -2.154257
  C      -3.501770      0.336519     -1.367522
  C      -7.701273     -1.938981      2.424813
  C      -6.876368     -2.428746      3.617443
  C      -7.777329     -2.814391      4.816195
  C      -6.954014     -3.212642      6.040997
  C      -7.567486     -4.204111      6.990732
  C      -8.123500     -5.408767      6.533437
  C      -8.581931     -6.379394      7.418762
  C      -8.505478     -6.191952      8.810332
  C      -8.958129     -7.232803      9.755380
  C      -8.872097     -8.595615      9.424438
  C      -9.255072     -9.581313     10.333128
  C      -9.733484     -9.226975     11.596743
  C      -9.832154     -7.877224     11.937699
  C      -9.454010     -6.893979     11.027016
  C      -7.957010     -4.983084      9.270061
  C      -7.503905     -4.012796      8.377894
  C      -1.712170     -4.747113      6.898576
  C      -3.222345     -4.482711      6.939160
  C      -3.895739     -4.996880      8.236088
  C      -3.360754     -6.296855      8.867422
  C      -4.122538     -6.647018     10.121245
  C      -3.862492     -5.981559     11.329277
  C      -4.594800     -6.262160     12.480983
  C      -5.615785     -7.230345     12.474559
  C      -6.396565     -7.533696     13.694627
  C      -6.869572     -8.832924     13.947541
  C      -7.613455     -9.118619     15.092178
  C      -7.902313     -8.111687     16.016236
  C      -7.440219     -6.815017     15.779516
  C      -6.697487     -6.530222     14.633125
  C      -5.870534     -7.901264     11.266545
  C      -5.142300     -7.607899     10.113781
  H      -0.071371     -3.266145      2.685692
  H      -0.176169     -1.815701      1.660841
  H      -0.554180     -3.404086      0.970248
  H      -2.121987     -1.871179      3.133365
  H      -4.006487     -2.011224      1.490998
  H      -2.873814     -2.553974      0.242759
  H      -1.632800     -0.415294      0.368834
  H      -2.535226      0.050473      1.822984
  H      -5.053170      0.414060      1.650313
  H      -6.843253      1.406155      0.268348
  H      -5.480283      2.885933     -3.772825
  H      -7.280524      3.847552     -5.168709
  H      -9.672191      3.408433     -4.613659
  H     -10.232862      1.971999     -2.651719
  H      -8.432231      0.976834     -1.279406
  H      -4.359783      0.991954     -3.229935
  H      -2.559859      0.034667     -1.833990
  H      -8.473424     -2.662220      2.123744
  H      -7.051993     -1.736531      1.560254
  H      -8.213161     -1.002827      2.694658
  H      -6.225123     -1.605659      3.943607
  H      -8.440584     -3.639107      4.507958
  H      -8.440607     -1.967731      5.059713
  H      -6.630482     -2.318248      6.595312
  H      -6.009307     -3.687133      5.680167
  H      -8.199507     -5.595168      5.459269
  H      -9.019352     -7.296359      7.019026
  H      -8.465336     -8.888934      8.455537
  H      -9.165469    -10.632110     10.056833
  H     -10.020435     -9.996641     12.313756
  H     -10.202182     -7.587685     12.922187
  H      -9.549900     -5.844231     11.303896
  H      -7.846061     -4.814547     10.342935
  H      -7.053665     -3.094866      8.763414
  H      -1.273835     -4.243245      6.025014
  H      -1.226929     -4.355244      7.805734
  H      -1.479967     -5.820614      6.832595
  H      -3.359187     -3.392979      6.932753
  H      -3.787931     -4.201228      8.992787
  H      -4.979888     -5.085628      8.064444
  H      -2.295286     -6.165722      9.113525
  H      -3.416662     -7.136993      8.158459
  H      -3.062852     -5.236142     11.367139
  H      -4.348647     -5.745538     13.411158
  H      -6.638800     -9.632983     13.242159
  H      -7.965238    -10.137283     15.267416
  H      -8.482903     -8.335767     16.913652
  H      -7.666087     -6.016431     16.489139
  H      -6.365668     -5.506907     14.447346
  H      -6.676417     -8.635587     11.214780
  H      -5.380139     -8.129622      9.182745
  N      -3.917579     -2.191660      4.807433
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.865830121823
  N      -2.704020     -3.784682      2.743955
  C      -2.608303     -4.957369      1.871803
  C      -3.203493     -6.202404      2.532473
  N      -4.514112     -5.911398      3.109490
  C      -5.577770     -5.619622      2.151422
  C      -6.575709     -4.612576      2.728688
  N      -5.899230     -3.478434      3.364263
  Mo     -4.097625     -3.716080      4.153984
  N      -3.804263     -4.958704      5.675467
  C      -4.024004     -6.395430      5.496611
  C      -4.905252     -6.693375      4.279698
  H      -4.547286     -6.824597      6.366065
  H      -3.061002     -6.935946      5.408195
  H      -5.934558     -6.404145      4.542127
  H      -4.913976     -7.784865      4.081941
  H      -7.230316     -4.283421      1.907159
  H      -7.233827     -5.137984      3.448745
  H      -5.107438     -5.171238      1.264912
  H      -6.111682     -6.532388      1.821708
  H      -1.559440     -5.188312      1.623767
  H      -3.116928     -4.770627      0.905633
  H      -2.541061     -6.512195      3.353942
  H      -3.235839     -7.033996      1.800552
  C      -0.598248     -2.797169      1.767225
  C      -2.040315     -2.574110      2.226121
  C      -2.920912     -1.931921      1.135838
  C      -2.562575     -0.477821      0.794505
  C      -3.652328      0.159799     -0.026535
  C      -4.843710      0.588969      0.581117
  C      -5.881156      1.131544     -0.170760
  C      -5.773160      1.268097     -1.567018
  C      -6.877056      1.842592     -2.365603
  C      -6.618017      2.620047     -3.506043
  C      -7.659066      3.160603     -4.259769
  C      -8.987930      2.937482     -3.892070
  C      -9.261544      2.167383     -2.761619
  C      -8.219812      1.626786     -2.009036
  C      -4.580536      0.837174     -2.173285
  C      -3.543259      0.293732     -1.416693
  C      -7.648058     -1.835620      2.600304
  C      -6.811087     -2.380034      3.758757
  C      -7.701960     -2.804642      4.957176
  C      -6.870087     -3.260794      6.158233
  C      -7.499430     -4.277561      7.072528
  C      -8.055245     -5.462764      6.564593
  C      -8.534346     -6.463816      7.405237
  C      -8.481004     -6.328568      8.803420
  C      -8.950109     -7.408141      9.701192
  C      -8.838757     -8.763257      9.325391
  C      -9.239674     -9.789368     10.187899
  C      -9.762140     -9.484075     11.449277
  C      -9.885167     -8.142687     11.834898
  C      -9.488702     -7.119129     10.970366
  C      -7.932239     -5.138111      9.315006
  C      -7.455996     -4.138392      8.466105
  C      -1.643244     -4.858458      6.897658
  C      -3.147936     -4.559575      6.937138
  C      -3.841705     -5.058481      8.225862
  C      -3.349640     -6.365805      8.877495
  C      -4.133499     -6.654297     10.130980
  C      -3.871998     -5.954254     11.317077
  C      -4.630821     -6.168537     12.462514
  C      -5.678383     -7.106067     12.474376
  C      -6.493921     -7.333747     13.684980
  C      -6.977724     -8.611576     14.005135
  C      -7.756609     -8.824009     15.139840
  C      -8.075727     -7.762742     15.983975
  C      -7.602154     -6.486917     15.680271
  C      -6.819818     -6.276549     14.546631
  C      -5.932234     -7.815281     11.289920
  C      -5.180045     -7.585612     10.140741
  H      -0.016044     -3.296636      2.553553
  H      -0.123038     -1.830376      1.552639
  H      -0.547834     -3.404435      0.853516
  H      -2.020035     -1.868829      3.070633
  H      -3.957129     -1.961259      1.505574
  H      -2.884011     -2.538715      0.216703
  H      -1.610436     -0.434563      0.242882
  H      -2.427265      0.082761      1.734392
  H      -4.956606      0.495457      1.665018
  H      -6.783403      1.480282      0.336847
  H      -5.584836      2.825655     -3.793072
  H      -7.430863      3.766238     -5.137691
  H      -9.802498      3.361309     -4.481163
  H     -10.296017      1.980524     -2.466500
  H      -8.452371      1.004946     -1.143693
  H      -4.471340      0.904499     -3.257866
  H      -2.629837     -0.039813     -1.917300
  H      -8.427759     -2.539611      2.277343
  H      -7.005461     -1.601625      1.738567
  H      -8.146079     -0.909394      2.920789
  H      -6.155992     -1.570529      4.112302
  H      -8.363251     -3.619408      4.620376
  H      -8.359090     -1.968885      5.245475
  H      -6.548916     -2.391648      6.751586
  H      -5.947033     -3.733365      5.772886
  H      -8.107953     -5.612863      5.482830
  H      -8.962787     -7.364257      6.959061
  H      -8.397482     -9.020805      8.358967
  H      -9.129583    -10.834097      9.876322
  H     -10.063740    -10.285401     12.131095
  H     -10.286424     -7.891671     12.819555
  H      -9.606245     -6.077319     11.283156
  H      -7.831955     -5.011209     10.394641
  H      -7.001559     -3.240481      8.891688
  H      -1.195702     -4.345220      6.037115
  H      -1.152967     -4.499366      7.814052
  H      -1.437538     -5.933046      6.803724
  H      -3.254419     -3.466318      6.946974
  H      -3.716247     -4.263342      8.977855
  H      -4.926486     -5.121113      8.043045
  H      -2.282456     -6.262119      9.127804
  H      -3.441548     -7.216375      8.187695
  H      -3.055363     -5.227253     11.341114
  H      -4.386672     -5.619674     13.373480
  H      -6.726081     -9.453810     13.363618
  H      -8.116850     -9.826701     15.367475
  H      -8.687024     -7.928759     16.871659
  H      -7.848339     -5.647260     16.328471
  H      -6.479179     -5.268817     14.309549
  H      -6.760435     -8.524572     11.249592
  H      -5.419363     -8.133129      9.226336
  N      -3.826678     -2.223333      4.847250
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.867335625158
  N      -2.670389     -3.750451      2.733211
  C      -2.586229     -4.915560      1.857921
  C      -3.174177     -6.162551      2.511923
  N      -4.476386     -5.878196      3.104885
  C      -5.553184     -5.582074      2.167252
  C      -6.543344     -4.588945      2.767670
  N      -5.867462     -3.455128      3.397457
  Mo     -4.047055     -3.683510      4.160650
  N      -3.754962     -4.947155      5.670746
  C      -3.958407     -6.378958      5.473802
  C      -4.847117     -6.674464      4.266772
  H      -4.470763     -6.817531      6.346392
  H      -2.989572     -6.907511      5.376031
  H      -5.877652     -6.398889      4.534916
  H      -4.843324     -7.763314      4.055497
  H      -7.208083     -4.252086      1.956057
  H      -7.192760     -5.116174      3.494233
  H      -5.094479     -5.127368      1.277505
  H      -6.088478     -6.494965      1.839552
  H      -1.537096     -5.143012      1.604045
  H      -3.099766     -4.717795      0.896256
  H      -2.506377     -6.480072      3.326161
  H      -3.217381     -6.988573      1.773850
  C      -0.573702     -2.754918      1.761476
  C      -2.016184     -2.536826      2.215762
  C      -2.899946     -1.898396      1.127740
  C      -2.548101     -0.443333      0.782167
  C      -3.643622      0.184901     -0.038207
  C      -4.836881      0.603409      0.571384
  C      -5.888541      1.118378     -0.180303
  C      -5.792326      1.236722     -1.578948
  C      -6.913557      1.774822     -2.378603
  C      -6.679468      2.534994     -3.537012
  C      -7.737674      3.037408     -4.293131
  C      -9.058872      2.793687     -3.909117
  C      -9.307592      2.041167     -2.759825
  C      -8.248603      1.537711     -2.005622
  C      -4.595034      0.821963     -2.187043
  C      -3.543554      0.307030     -1.430056
  C      -7.613368     -1.812081      2.642766
  C      -6.774811     -2.361150      3.798634
  C      -7.660594     -2.780292      4.994732
  C      -6.835458     -3.228922      6.207563
  C      -7.483620     -4.235809      7.122238
  C      -8.045849     -5.418164      6.613138
  C      -8.545616     -6.409031      7.453443
  C      -8.504824     -6.265965      8.851203
  C      -8.999980     -7.333340      9.746688
  C      -8.923658     -8.687988      9.370232
  C      -9.351658     -9.700926     10.230498
  C      -9.866016     -9.383094     11.490316
  C      -9.954205     -8.042118     11.875904
  C      -9.530555     -7.031326     11.013616
  C      -7.950722     -5.079111      9.363716
  C      -7.457828     -4.087585      8.516038
  C      -1.611939     -4.858327      6.919101
  C      -3.116777     -4.562404      6.942460
  C      -3.828151     -5.086665      8.211152
  C      -3.347922     -6.407026      8.844973
  C      -4.135418     -6.711515     10.092948
  C      -3.872173     -6.027396     11.288431
  C      -4.633783     -6.250163     12.430617
  C      -5.689703     -7.177288     12.427688
  C      -6.509440     -7.409908     13.634547
  C      -7.019937     -8.685967     13.929822
  C      -7.802587     -8.902802     15.061570
  C      -8.095274     -7.847443     15.929254
  C      -7.596167     -6.572948     15.648739
  C      -6.813001     -6.358290     14.515945
  C      -5.946377     -7.871073     11.234336
  C      -5.187631     -7.636530     10.090151
  H       0.010119     -3.254048      2.547616
  H      -0.101283     -1.785675      1.551666
  H      -0.516114     -3.358721      0.844589
  H      -2.001259     -1.834698      3.063804
  H      -3.936062     -1.930056      1.497873
  H      -2.866279     -2.506018      0.208395
  H      -1.597041     -0.395326      0.228980
  H      -2.413806      0.122115      1.719399
  H      -4.940975      0.522898      1.656877
  H      -6.793399      1.457988      0.328558
  H      -5.652911      2.755783     -3.836150
  H      -7.529146      3.630993     -5.184726
  H      -9.887054      3.187918     -4.500082
  H     -10.335380      1.837439     -2.452726
  H      -8.460242      0.928511     -1.125318
  H      -4.493532      0.877755     -3.272869
  H      -2.628404     -0.018797     -1.932290
  H      -8.400658     -2.509369      2.323331
  H      -6.976816     -1.581477      1.776179
  H      -8.104444     -0.882472      2.964221
  H      -6.111281     -1.555355      4.147863
  H      -8.327580     -3.593123      4.665515
  H      -8.314402     -1.938491      5.272479
  H      -6.505885     -2.357101      6.792202
  H      -5.912800     -3.710379      5.822509
  H      -8.091235     -5.571241      5.531677
  H      -8.984238     -7.304913      7.009378
  H      -8.487807     -8.955334      8.405609
  H      -9.268573    -10.745801      9.919200
  H     -10.190488    -10.174111     12.169879
  H     -10.352614     -7.780894     12.857587
  H      -9.620267     -5.988532     11.325958
  H      -7.864888     -4.946479     10.444095
  H      -7.005371     -3.188370      8.942363
  H      -1.150125     -4.330396      6.074026
  H      -1.134603     -4.514567      7.848831
  H      -1.402250     -5.931356      6.811021
  H      -3.227772     -3.469256      6.965912
  H      -3.712557     -4.305584      8.980018
  H      -4.909456     -5.146221      8.015376
  H      -2.280623     -6.315553      9.100628
  H      -3.440297     -7.246107      8.140592
  H      -3.049810     -5.307961     11.323991
  H      -4.387904     -5.714240     13.349631
  H      -6.787123     -9.523182     13.269512
  H      -8.182968     -9.904546     15.271070
  H      -8.707832     -8.016773     16.815619
  H      -7.823935     -5.737843     16.313862
  H      -6.450028     -5.351979     14.296969
  H      -6.779639     -8.573215     11.185611
  H      -5.430008     -8.170754      9.167936
  N      -3.752255     -2.188075      4.851722
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.868406801776
  N      -2.649299     -3.746260      2.693592
  C      -2.585953     -4.908201      1.815164
  C      -3.163085     -6.153459      2.476562
  N      -4.452385     -5.869004      3.098701
  C      -5.552807     -5.574368      2.186586
  C      -6.532928     -4.590867      2.813003
  N      -5.850402     -3.453891      3.426752
  Mo     -4.002418     -3.673251      4.146943
  N      -3.711350     -4.944469      5.655563
  C      -3.894109     -6.376463      5.453880
  C      -4.795125     -6.680461      4.259750
  H      -4.389921     -6.821227      6.334371
  H      -2.918232     -6.891393      5.348383
  H      -5.827892     -6.425104      4.538032
  H      -4.773319     -7.767190      4.038221
  H      -7.215056     -4.250700      2.015424
  H      -7.168838     -5.115666      3.553259
  H      -5.115659     -5.118082      1.287055
  H      -6.091123     -6.490004      1.869639
  H      -1.539508     -5.136113      1.546192
  H      -3.112206     -4.703863      0.861175
  H      -2.481412     -6.475071      3.277224
  H      -3.225856     -6.978208      1.738212
  C      -0.565911     -2.751650      1.697540
  C      -2.003123     -2.530688      2.168340
  C      -2.896148     -1.887882      1.091318
  C      -2.541817     -0.433264      0.746601
  C      -3.638594      0.198512     -0.069955
  C      -4.828814      0.616359      0.544097
  C      -5.886107      1.124947     -0.204049
  C      -5.797033      1.237679     -1.603462
  C      -6.923976      1.766758     -2.400845
  C      -6.698174      2.527060     -3.561484
  C      -7.762200      3.019065     -4.315599
  C      -9.080030      2.764653     -3.927071
  C      -9.320556      2.012408     -2.775076
  C      -8.255810      1.519380     -2.022592
  C      -4.601151      0.827214     -2.215904
  C      -3.544772      0.318194     -1.462240
  C      -7.588953     -1.793644      2.695920
  C      -6.745748     -2.358628      3.842532
  C      -7.628148     -2.774413      5.037332
  C      -6.805746     -3.220909      6.255389
  C      -7.460983     -4.220902      7.171025
  C      -8.023137     -5.404354      6.664822
  C      -8.531568     -6.387195      7.508302
  C      -8.493747     -6.235805      8.905147
  C      -8.998669     -7.295451      9.802733
  C      -8.940735     -8.649332      9.427976
  C      -9.377537     -9.654408     10.290671
  C      -9.883769     -9.329685     11.550927
  C      -9.954338     -7.989306     11.934235
  C      -9.520657     -6.985858     11.069841
  C      -7.935390     -5.050950      9.413674
  C      -7.438134     -4.065382      8.563351
  C      -1.600271     -4.847819      6.962068
  C      -3.105334     -4.556408      6.941609
  C      -3.851671     -5.089606      8.188615
  C      -3.367622     -6.400672      8.837702
  C      -4.170090     -6.716024     10.074635
  C      -3.943455     -6.011687     11.265862
  C      -4.711411     -6.248134     12.402846
  C      -5.736684     -7.210831     12.398439
  C      -6.557256     -7.461191     13.603270
  C      -7.011807     -8.753717     13.915638
  C      -7.789850     -8.987863     15.048848
  C      -8.133917     -7.933605     15.899339
  C      -7.692995     -6.642487     15.599936
  C      -6.913914     -6.410095     14.466034
  C      -5.956793     -7.925381     11.209868
  C      -5.193176     -7.674953     10.070244
  H       0.025739     -3.257773      2.473991
  H      -0.091017     -1.782386      1.490000
  H      -0.516215     -3.348554      0.774391
  H      -1.978174     -1.832201      3.019339
  H      -3.929860     -1.915305      1.470897
  H      -2.878321     -2.492432      0.168470
  H      -1.591648     -0.384841      0.192820
  H      -2.404078      0.131239      1.684130
  H      -4.925665      0.542671      1.630412
  H      -6.788484      1.464822      0.307481
  H      -5.674243      2.754960     -3.862366
  H      -7.560877      3.613682     -5.208350
  H      -9.912851      3.150303     -4.516760
  H     -10.345294      1.800199     -2.465326
  H      -8.458642      0.911124     -1.139581
  H      -4.504845      0.882134     -3.301868
  H      -2.631145     -0.005577     -1.967281
  H      -8.391031     -2.477627      2.382714
  H      -6.961279     -1.568465      1.821586
  H      -8.065222     -0.858113      3.022946
  H      -6.069885     -1.560522      4.186816
  H      -8.304076     -3.582476      4.716199
  H      -8.275751     -1.925497      5.308288
  H      -6.465307     -2.348048      6.831665
  H      -5.887860     -3.708956      5.867888
  H      -8.063814     -5.563212      5.584868
  H      -8.976107     -7.282772      7.070582
  H      -8.511316     -8.921557      8.463017
  H      -9.308929    -10.698413      9.981525
  H     -10.216782    -10.114810     12.231764
  H     -10.348997     -7.722178     12.915081
  H      -9.594816     -5.943108     11.379904
  H      -7.854037     -4.913466     10.493102
  H      -6.986134     -3.164989      8.986252
  H      -1.111645     -4.317582      6.132589
  H      -1.150339     -4.505578      7.905876
  H      -1.384391     -5.920628      6.859122
  H      -3.221550     -3.463962      6.966680
  H      -3.773562     -4.306086      8.960414
  H      -4.925930     -5.168075      7.961671
  H      -2.306290     -6.294833      9.111390
  H      -3.431826     -7.243766      8.133959
  H      -3.141587     -5.269006     11.304626
  H      -4.492489     -5.698404     13.320259
  H      -6.737448     -9.588163     13.268360
  H      -8.124685    -10.002080     15.273583
  H      -8.742585     -8.116659     16.786946
  H      -7.962890     -5.808648     16.250337
  H      -6.594247     -5.393241     14.231639
  H      -6.763712     -8.658518     11.163166
  H      -5.406022     -8.227511      9.151921
  N      -3.689676     -2.175047      4.822602
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.869338289232
  N      -2.612944     -3.755652      2.637971
  C      -2.574285     -4.910979      1.748530
  C      -3.132242     -6.160114      2.418725
  N      -4.404212     -5.879960      3.082566
  C      -5.533598     -5.584809      2.203180
  C      -6.504109     -4.617993      2.868099
  N      -5.814127     -3.480087      3.471079
  Mo     -3.932341     -3.689301      4.125327
  N      -3.636937     -4.969916      5.629174
  C      -3.793599     -6.404522      5.419158
  C      -4.711830     -6.715670      4.240304
  H      -4.261475     -6.864065      6.307426
  H      -2.809842     -6.899704      5.293941
  H      -5.746047     -6.487564      4.536878
  H      -4.668122     -7.797852      4.001513
  H      -7.210774     -4.272357      2.093026
  H      -7.118233     -5.150715      3.620825
  H      -5.126019     -5.117826      1.295768
  H      -6.071966     -6.502996      1.892658
  H      -1.533910     -5.136206      1.452395
  H      -3.122709     -4.698548      0.808799
  H      -2.428608     -6.486396      3.198082
  H      -3.217957     -6.981329      1.678463
  C      -0.553460     -2.752221      1.600817
  C      -1.980436     -2.534306      2.105489
  C      -2.894278     -1.883623      1.051853
  C      -2.541986     -0.427587      0.713295
  C      -3.646825      0.211836     -0.086770
  C      -4.828222      0.628727      0.543938
  C      -5.894695      1.140521     -0.189006
  C      -5.822411      1.257869     -1.588828
  C      -6.958871      1.788923     -2.371405
  C      -6.746699      2.557987     -3.529105
  C      -7.820131      3.051052     -4.268729
  C      -9.132510      2.788718     -3.868069
  C      -9.359532      2.028140     -2.718611
  C      -8.285561      1.534227     -1.980136
  C      -4.634422      0.850598     -2.217841
  C      -3.569504      0.337604     -1.479354
  C      -7.543615     -1.797316      2.773696
  C      -6.698702     -2.386003      3.909822
  C      -7.584845     -2.809491      5.096658
  C      -6.769963     -3.265833      6.317693
  C      -7.439628     -4.264630      7.221918
  C      -7.990046     -5.448910      6.705228
  C      -8.517276     -6.428672      7.539515
  C      -8.507671     -6.273789      8.937352
  C      -9.033861     -7.331390      9.824680
  C      -8.977761     -8.684618      9.448181
  C      -9.435056     -9.687706     10.300380
  C      -9.960322     -9.362385     11.552385
  C     -10.028689     -8.022867     11.937803
  C      -9.574198     -7.020813     11.083649
  C      -7.958552     -5.089239      9.455915
  C      -7.444524     -4.105366      8.614261
  C      -1.547051     -4.885152      6.977778
  C      -3.048066     -4.580384      6.924137
  C      -3.824766     -5.102743      8.159524
  C      -3.349798     -6.401247      8.839648
  C      -4.170622     -6.697397     10.068690
  C      -3.976848     -5.957942     11.244985
  C      -4.761517     -6.177326     12.374397
  C      -5.770397     -7.157116     12.375009
  C      -6.609059     -7.391348     13.570290
  C      -7.038004     -8.686036     13.910235
  C      -7.833872     -8.906362     15.033632
  C      -8.221419     -7.835345     15.844653
  C      -7.806626     -6.541599     15.516706
  C      -7.009180     -6.322883     14.392939
  C      -5.957094     -7.905465     11.202536
  C      -5.176907     -7.672272     10.071173
  H       0.054118     -3.269288      2.357613
  H      -0.079494     -1.781812      1.396455
  H      -0.521758     -3.336013      0.668244
  H      -1.937110     -1.843513      2.961452
  H      -3.920717     -1.910340      1.451472
  H      -2.900852     -2.479508      0.123081
  H      -1.597041     -0.375479      0.151590
  H      -2.393433      0.130284      1.653213
  H      -4.910075      0.554296      1.631282
  H      -6.790119      1.480010      0.334271
  H      -5.726426      2.790824     -3.837498
  H      -7.630264      3.652934     -5.159034
  H      -9.972728      3.174656     -4.446738
  H     -10.380063      1.810050     -2.400036
  H      -8.475445      0.920629     -1.098141
  H      -4.551662      0.911839     -3.304307
  H      -2.662075      0.016328     -1.996360
  H      -8.356973     -2.467985      2.457529
  H      -6.920518     -1.569298      1.896601
  H      -8.009369     -0.860131      3.112296
  H      -6.014175     -1.597745      4.258764
  H      -8.266766     -3.610755      4.772432
  H      -8.229535     -1.957939      5.367038
  H      -6.424790     -2.396600      6.895523
  H      -5.854252     -3.756725      5.929160
  H      -8.005717     -5.611253      5.624979
  H      -8.955417     -7.324876      7.096312
  H      -8.533274     -8.956991      8.490313
  H      -9.367344    -10.731296      9.990869
  H     -10.308741    -10.146439     12.225333
  H     -10.437901     -7.755327     12.912654
  H      -9.645904     -5.978288     11.394080
  H      -7.900056     -4.949915     10.536600
  H      -7.003135     -3.203370      9.044479
  H      -1.034562     -4.363142      6.158217
  H      -1.113302     -4.543693      7.928981
  H      -1.338129     -5.960432      6.885050
  H      -3.154969     -3.487587      6.945579
  H      -3.774848     -4.309596      8.923111
  H      -4.891835     -5.191985      7.906272
  H      -2.292898     -6.290951      9.128497
  H      -3.398646     -7.256719      8.150103
  H      -3.187439     -5.202808     11.278965
  H      -4.570148     -5.601446     13.281875
  H      -6.731488     -9.530822     13.290042
  H      -8.148775     -9.922208     15.281620
  H      -8.843818     -8.007451     16.724436
  H      -8.111455     -5.695530     16.136461
  H      -6.707801     -5.305868     14.133937
  H      -6.751455     -8.651244     11.162954
  H      -5.364553     -8.251579      9.163650
  N      -3.617941     -2.193360      4.803707
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.870100277833
  N      -2.589916     -3.775967      2.581922
  C      -2.575716     -4.932815      1.689110
  C      -3.114385     -6.180321      2.380684
  N      -4.366648     -5.894650      3.084760
  C      -5.522331     -5.607939      2.232834
  C      -6.484229     -4.650687      2.926506
  N      -5.785540     -3.509592      3.514921
  Mo     -3.875562     -3.707750      4.101907
  N      -3.568785     -4.982025      5.608829
  C      -3.704311     -6.421987      5.405383
  C      -4.642320     -6.746185      4.244349
  H      -4.140816     -6.889799      6.304861
  H      -2.716105     -6.901001      5.258016
  H      -5.675044     -6.539227      4.560841
  H      -4.581859     -7.824696      3.994315
  H      -7.215085     -4.308069      2.172330
  H      -7.075381     -5.190311      3.692439
  H      -5.143853     -5.135492      1.315910
  H      -6.058452     -6.531257      1.934155
  H      -1.544466     -5.158958      1.363677
  H      -3.149395     -4.723268      0.764215
  H      -2.387221     -6.504364      3.138976
  H      -3.224776     -7.004604      1.647595
  C      -0.554826     -2.775991      1.489065
  C      -1.967894     -2.553614      2.033787
  C      -2.903796     -1.897061      1.003382
  C      -2.550643     -0.441078      0.665553
  C      -3.660933      0.208305     -0.119025
  C      -4.831782      0.631666      0.527076
  C      -5.901191      1.158208     -0.191515
  C      -5.841616      1.284745     -1.591070
  C      -6.980456      1.833323     -2.358858
  C      -6.771019      2.616686     -3.507745
  C      -7.846744      3.127145     -4.232574
  C      -9.157508      2.867372     -3.825526
  C      -9.381828      2.092514     -2.684979
  C      -8.305756      1.581734     -1.960710
  C      -4.664549      0.870233     -2.235509
  C      -3.597149      0.341444     -1.511558
  C      -7.510308     -1.813063      2.843264
  C      -6.662525     -2.415744      3.971816
  C      -7.550870     -2.845338      5.156674
  C      -6.736558     -3.309032      6.375278
  C      -7.408159     -4.307244      7.277459
  C      -7.946570     -5.496549      6.761488
  C      -8.482917     -6.471526      7.595367
  C      -8.496927     -6.305637      8.992480
  C      -9.038283     -7.356553      9.879412
  C      -8.963890     -8.714603      9.520169
  C      -9.437734     -9.711184     10.370461
  C     -10.001581     -9.374489     11.602408
  C     -10.090126     -8.030189     11.970002
  C      -9.615587     -7.034853     11.119345
  C      -7.957139     -5.116931      9.510260
  C      -7.430324     -4.139583      8.668431
  C      -1.495001     -4.897594      6.988093
  C      -2.992170     -4.580832      6.907253
  C      -3.796343     -5.085543      8.135269
  C      -3.324008     -6.364800      8.852471
  C      -4.173875     -6.654494     10.063494
  C      -4.043595     -5.875387     11.223341
  C      -4.853092     -6.094625     12.335269
  C      -5.820092     -7.116357     12.335386
  C      -6.680620     -7.353623     13.514924
  C      -7.047537     -8.656884     13.891356
  C      -7.858536     -8.880779     15.003428
  C      -8.324456     -7.804974     15.763799
  C      -7.973723     -6.502914     15.397492
  C      -7.159437     -6.280138     14.286608
  C      -5.943132     -7.903463     11.179968
  C      -5.141029     -7.667658     10.064174
  H       0.069103     -3.301876      2.226438
  H      -0.079622     -1.807012      1.278783
  H      -0.549830     -3.353055      0.551733
  H      -1.898813     -1.864410      2.888869
  H      -3.921127     -1.919432      1.426384
  H      -2.936444     -2.487954      0.071916
  H      -1.611099     -0.390476      0.095117
  H      -2.388989      0.111313      1.606598
  H      -4.902038      0.551880      1.614939
  H      -6.788400      1.502718      0.342418
  H      -5.750967      2.846501     -3.819655
  H      -7.659705      3.740076     -5.116060
  H      -9.999535      3.266385     -4.392838
  H     -10.401616      1.876798     -2.361863
  H      -8.491733      0.957854     -1.084996
  H      -4.593368      0.939335     -3.322355
  H      -2.697620      0.015855     -2.039505
  H      -8.327707     -2.478440      2.524990
  H      -6.889627     -1.581323      1.965324
  H      -7.972494     -0.876786      3.189975
  H      -5.974901     -1.632560      4.324115
  H      -8.235842     -3.643335      4.830436
  H      -8.194828     -1.993910      5.430214
  H      -6.389901     -2.440268      6.953184
  H      -5.824315     -3.798160      5.984672
  H      -7.944547     -5.667491      5.682567
  H      -8.912218     -7.372525      7.153878
  H      -8.491820     -8.995044      8.577922
  H      -9.354742    -10.758757     10.075188
  H     -10.364723    -10.153609     12.273164
  H     -10.531256     -7.753632     12.927873
  H      -9.703584     -5.988492     11.414696
  H      -7.914584     -4.969925     10.590561
  H      -6.995010     -3.235253      9.098390
  H      -0.965131     -4.392311      6.169516
  H      -1.072760     -4.545330      7.940196
  H      -1.293496     -5.975946      6.915873
  H      -3.090325     -3.487564      6.917136
  H      -3.779350     -4.277155      8.883888
  H      -4.854943     -5.193684      7.853979
  H      -2.276615     -6.236332      9.167431
  H      -3.341446     -7.233397      8.177070
  H      -3.285310     -5.088692     11.257894
  H      -4.713713     -5.487337     13.231541
  H      -6.678724     -9.503125     13.309739
  H      -8.123756     -9.902418     15.282264
  H      -8.958819     -7.979812     16.634486
  H      -8.341012     -5.654232     15.977437
  H      -6.905329     -5.258814     13.996609
  H      -6.704932     -8.683044     11.142300
  H      -5.276753     -8.279876      9.169117
  N      -3.562098     -2.209204      4.777353
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.870684249739
  N      -2.567235     -3.807343      2.535125
  C      -2.571279     -4.965340      1.640613
  C      -3.086079     -6.213204      2.352944
  N      -4.318237     -5.924336      3.093791
  C      -5.497088     -5.652225      2.266120
  C      -6.454474     -4.705372      2.983123
  N      -5.751294     -3.561045      3.559109
  Mo     -3.820952     -3.739386      4.083562
  N      -3.486924     -5.005852      5.588467
  C      -3.602878     -6.450276      5.395572
  C      -4.562160     -6.787649      4.255048
  H      -4.002433     -6.926663      6.306893
  H      -2.611903     -6.912504      5.219362
  H      -5.591348     -6.598924      4.592836
  H      -4.487961     -7.862483      3.995241
  H      -7.207897     -4.370891      2.247876
  H      -7.022187     -5.255626      3.759182
  H      -5.147508     -5.173352      1.341095
  H      -6.025921     -6.582871      1.978028
  H      -1.550296     -5.188803      1.284114
  H      -3.172035     -4.763329      0.731647
  H      -2.335392     -6.533259      3.089915
  H      -3.216921     -7.041016      1.627511
  C      -0.559583     -2.805632      1.390982
  C      -1.958890     -2.583255      1.972727
  C      -2.917873     -1.923357      0.965656
  C      -2.567416     -0.465908      0.629304
  C      -3.685601      0.195920     -0.132617
  C      -4.842543      0.623974      0.535687
  C      -5.916333      1.171194     -0.161057
  C      -5.875153      1.314764     -1.559681
  C      -7.018083      1.888728     -2.303692
  C      -6.814117      2.690090     -3.441538
  C      -7.893402      3.226637     -4.142920
  C      -9.201711      2.974682     -3.722788
  C      -9.420611      2.181616     -2.593522
  C      -8.341085      1.645138     -1.892423
  C      -4.712895      0.893497     -2.226565
  C      -3.641054      0.343347     -1.524569
  C      -7.471316     -1.856815      2.900424
  C      -6.625230     -2.467684      4.025769
  C      -7.518459     -2.904580      5.207044
  C      -6.706667     -3.376409      6.422848
  C      -7.382269     -4.377587      7.319361
  C      -7.912891     -5.567598      6.798583
  C      -8.464852     -6.539306      7.626689
  C      -8.505145     -6.369721      9.022913
  C      -9.071262     -7.413381      9.903380
  C      -8.991104     -8.773675      9.554179
  C      -9.495750     -9.762996     10.394955
  C     -10.096734     -9.416375     11.607814
  C     -10.190181     -8.070163     11.966062
  C      -9.684448     -7.082271     11.125057
  C      -7.969927     -5.181980      9.546246
  C      -7.425263     -4.208224      8.709745
  C      -1.413460     -4.922345      6.972299
  C      -2.906473     -4.588790      6.882210
  C      -3.724556     -5.065633      8.113552
  C      -3.254177     -6.321077      8.871480
  C      -4.132126     -6.595003     10.065308
  C      -4.072191     -5.767359     11.197160
  C      -4.914285     -5.973786     12.285975
  C      -5.842367     -7.030740     12.291146
  C      -6.738949     -7.252116     13.445906
  C      -7.066174     -8.551653     13.867950
  C      -7.908696     -8.760506     14.958455
  C      -8.446538     -7.673483     15.649775
  C      -8.136645     -6.375367     15.236643
  C      -7.290221     -6.167202     14.148275
  C      -5.894002     -7.865937     11.164735
  C      -5.060470     -7.642625     10.070434
  H       0.080708     -3.336835      2.110247
  H      -0.086953     -1.837269      1.173235
  H      -0.580094     -3.377652      0.451286
  H      -1.866845     -1.894626      2.825656
  H      -3.925481     -1.944084      1.411567
  H      -2.973837     -2.509503      0.032561
  H      -1.635366     -0.414930      0.046763
  H      -2.389564      0.078094      1.572384
  H      -4.896510      0.532183      1.623667
  H      -6.792558      1.519198      0.388994
  H      -5.794995      2.913516     -3.762497
  H      -7.710894      3.853298     -5.017975
  H     -10.046499      3.393971     -4.271683
  H     -10.439024      1.971985     -2.260662
  H      -8.522006      1.007290     -1.025346
  H      -4.658384      0.974985     -3.313710
  H      -2.752711      0.013418     -2.068843
  H      -8.285089     -2.523131      2.574969
  H      -6.847384     -1.617597      2.026842
  H      -7.937896     -0.925148      3.252677
  H      -5.939116     -1.687681      4.385678
  H      -8.202539     -3.700990      4.873683
  H      -8.165395     -2.056982      5.484856
  H      -6.362818     -2.509694      7.005815
  H      -5.793530     -3.859473      6.032623
  H      -7.894079     -5.740659      5.719939
  H      -8.887718     -7.441389      7.181955
  H      -8.493916     -9.061298      8.625955
  H      -9.408972    -10.812207     10.107345
  H     -10.483843    -10.190151     12.271336
  H     -10.660112     -7.785830     12.908883
  H      -9.776531     -6.034063     11.412265
  H      -7.946166     -5.032295     10.627008
  H      -6.994985     -3.303983      9.144957
  H      -0.876655     -4.441964      6.143218
  H      -0.988931     -4.551975      7.916806
  H      -1.223875     -6.004465      6.927125
  H      -2.991512     -3.494817      6.873900
  H      -3.730678     -4.237537      8.840185
  H      -4.776505     -5.191692      7.815079
  H      -2.216035     -6.173101      9.208963
  H      -3.244034     -7.205377      8.216513
  H      -3.346498     -4.950311     11.226006
  H      -4.833901     -5.326875     13.161389
  H      -6.639211     -9.405080     13.340675
  H      -8.142422     -9.778548     15.274501
  H      -9.105689     -7.836609     16.503600
  H      -8.561268     -5.518912     15.762205
  H      -7.067408     -5.150624     13.819569
  H      -6.629009     -8.670950     11.129954
  H      -5.140016     -8.292633      9.195396
  N      -3.510102     -2.237492      4.761835
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.871130690195
  N      -2.557616     -3.816156      2.515801
  C      -2.575449     -4.977223      1.623944
  C      -3.076377     -6.222971      2.351707
  N      -4.292877     -5.926698      3.115750
  C      -5.485613     -5.666125      2.303625
  C      -6.436428     -4.719001      3.031074
  N      -5.726784     -3.572940      3.596268
  Mo     -3.789439     -3.739737      4.083031
  N      -3.431670     -4.996968      5.587180
  C      -3.539252     -6.444104      5.404016
  C      -4.516678     -6.790280      4.281192
  H      -3.911683     -6.923911      6.324411
  H      -2.548698     -6.896943      5.203070
  H      -5.540343     -6.604930      4.636471
  H      -4.441091     -7.864477      4.019903
  H      -7.203051     -4.392134      2.306934
  H      -6.988251     -5.273357      3.815868
  H      -5.153894     -5.187167      1.371835
  H      -6.012033     -6.601220      2.026629
  H      -1.562922     -5.201344      1.245896
  H      -3.196229     -4.782065      0.727035
  H      -2.310143     -6.540363      3.073789
  H      -3.223147     -7.054105      1.633390
  C      -0.562937     -2.824071      1.338699
  C      -1.953350     -2.596352      1.939730
  C      -2.925797     -1.939425      0.943090
  C      -2.575805     -0.484751      0.592560
  C      -3.700062      0.178088     -0.158669
  C      -4.845975      0.617510      0.521935
  C      -5.923120      1.172319     -0.163833
  C      -5.897027      1.312832     -1.563220
  C      -7.042935      1.897858     -2.294481
  C      -6.843631      2.699837     -3.432948
  C      -7.925125      3.248577     -4.122188
  C      -9.231448      3.007844     -3.689112
  C      -9.445703      2.213596     -2.559574
  C      -8.363925      1.665353     -1.870532
  C      -4.746637      0.878522     -2.242601
  C      -3.671271      0.320385     -1.551706
  C      -7.441636     -1.867341      2.931549
  C      -6.602396     -2.478086      4.060629
  C      -7.501074     -2.916514      5.239274
  C      -6.691992     -3.386737      6.456945
  C      -7.369594     -4.382326      7.359586
  C      -7.890879     -5.581126      6.848841
  C      -8.451727     -6.542540      7.683446
  C      -8.515221     -6.352245      9.075907
  C      -9.093614     -7.384036      9.962717
  C      -8.986089     -8.751390      9.645895
  C      -9.505657     -9.730189     10.491694
  C     -10.150034     -9.365106     11.676685
  C     -10.270327     -8.011900     12.002829
  C      -9.749061     -7.034677     11.157198
  C      -7.989821     -5.155340      9.589808
  C      -7.431400     -4.194324      8.747148
  C      -1.354095     -4.916676      6.964524
  C      -2.845138     -4.572942      6.877797
  C      -3.665739     -5.040460      8.111852
  C      -3.191488     -6.286818      8.881258
  C      -4.091631     -6.575779     10.055624
  C      -4.091765     -5.735607     11.180136
  C      -4.957286     -5.960019     12.246500
  C      -5.852612     -7.044399     12.235049
  C      -6.778287     -7.277491     13.364253
  C      -7.089229     -8.581414     13.787619
  C      -7.960600     -8.800651     14.853100
  C      -8.543419     -7.719785     15.518357
  C      -8.249357     -6.417412     15.104174
  C      -7.375239     -6.199124     14.040241
  C      -5.844544     -7.891854     11.115935
  C      -4.984785     -7.653583     10.044783
  H       0.084970     -3.355555      2.050580
  H      -0.090958     -1.857897      1.111268
  H      -0.600344     -3.398745      0.401563
  H      -1.846463     -1.902535      2.786774
  H      -3.926330     -1.953443      1.404799
  H      -2.996128     -2.531910      0.015109
  H      -1.650712     -0.441329     -0.001727
  H      -2.384027      0.062770      1.530973
  H      -4.887520      0.527956      1.610711
  H      -6.790410      1.528962      0.395088
  H      -5.825891      2.914655     -3.764447
  H      -7.745953      3.875380     -4.997962
  H     -10.077851      3.436806     -4.228312
  H     -10.462633      2.012518     -2.216729
  H      -8.541968      1.026217     -1.003565
  H      -4.705337      0.956150     -3.330747
  H      -2.792381     -0.019772     -2.105279
  H      -8.247630     -2.538152      2.597495
  H      -6.809744     -1.622848      2.065263
  H      -7.915799     -0.939762      3.283385
  H      -5.920172     -1.698059      4.427660
  H      -8.179520     -3.715724      4.900090
  H      -8.153148     -2.072867      5.516885
  H      -6.354401     -2.516790      7.039637
  H      -5.776167     -3.867510      6.072799
  H      -7.857382     -5.769140      5.772625
  H      -8.864293     -7.453730      7.246113
  H      -8.457244     -9.052717      8.739526
  H      -9.396900    -10.785228     10.229380
  H     -10.549208    -10.130472     12.344430
  H     -10.772788     -7.713461     12.924209
  H      -9.862268     -5.981052     11.419371
  H      -7.981772     -4.990163     10.668774
  H      -7.007376     -3.283595      9.176179
  H      -0.819212     -4.451557      6.125319
  H      -0.923014     -4.534263      7.901536
  H      -1.171614     -6.000535      6.934606
  H      -2.922377     -3.478547      6.861637
  H      -3.684014     -4.204901      8.829797
  H      -4.714368     -5.178885      7.806155
  H      -2.162242     -6.123987      9.239328
  H      -3.156891     -7.170966      8.226867
  H      -3.395266     -4.894043     11.220646
  H      -4.924667     -5.301830     13.117005
  H      -6.626354     -9.430275     13.281814
  H      -8.182518     -9.821945     15.169640
  H      -9.225046     -7.891124     16.352810
  H      -8.708902     -5.565826     15.609353
  H      -7.166449     -5.179806     13.708566
  H      -6.554425     -8.718967     11.066820
  H      -5.016755     -8.313761      9.173973
  N      -3.474421     -2.234948      4.756760
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.871517115027
  N      -2.543600     -3.834914      2.484202
  C      -2.575353     -4.995364      1.594369
  C      -3.048174     -6.244196      2.335300
  N      -4.243506     -5.951276      3.131058
  C      -5.457608     -5.709012      2.346323
  C      -6.399782     -4.767329      3.092321
  N      -5.686443     -3.615749      3.639911
  Mo     -3.742415     -3.755814      4.077725
  N      -3.337191     -5.003223      5.573892
  C      -3.427764     -6.451670      5.397773
  C      -4.430368     -6.812637      4.302391
  H      -3.763116     -6.937584      6.328447
  H      -2.436481     -6.887238      5.163684
  H      -5.445553     -6.633746      4.683858
  H      -4.351703     -7.886672      4.041836
  H      -7.186518     -4.451896      2.385635
  H      -6.924757     -5.328121      3.891066
  H      -5.153997     -5.228600      1.405243
  H      -5.978889     -6.651206      2.085321
  H      -1.572946     -5.212203      1.186982
  H      -3.224166     -4.807501      0.715756
  H      -2.259649     -6.557411      3.035030
  H      -3.211385     -7.076752      1.622234
  C      -0.566879     -2.846792      1.276184
  C      -1.947542     -2.617673      1.896812
  C      -2.936234     -1.961052      0.916127
  C      -2.587591     -0.508977      0.552344
  C      -3.723268      0.159210     -0.175247
  C      -4.851538      0.606719      0.529767
  C      -5.937682      1.172107     -0.132318
  C      -5.939458      1.315735     -1.531841
  C      -7.093638      1.916145     -2.236484
  C      -6.908707      2.719718     -3.375936
  C      -7.997309      3.285238     -4.040010
  C      -9.297541      3.060177     -3.580047
  C      -9.497450      2.264010     -2.449410
  C      -8.408414      1.698886     -1.785914
  C      -4.807744      0.871163     -2.235965
  C      -3.722966      0.302587     -1.568726
  C      -7.399304     -1.909456      2.971999
  C      -6.564040     -2.520830      4.101164
  C      -7.460478     -2.963431      5.279119
  C      -6.648783     -3.431021      6.495228
  C      -7.330408     -4.422380      7.401759
  C      -7.845111     -5.627190      6.896512
  C      -8.425371     -6.576527      7.732230
  C      -8.519351     -6.366641      9.119595
  C      -9.131106     -7.379205     10.005326
  C      -9.010105     -8.753012      9.723822
  C      -9.572067     -9.712569     10.564412
  C     -10.272777     -9.320496     11.707733
  C     -10.405451     -7.960801     11.998740
  C      -9.841357     -7.003033     11.159004
  C      -7.998946     -5.164876      9.629061
  C      -7.417346     -4.217618      8.785894
  C      -1.263170     -4.916190      6.956283
  C      -2.752102     -4.565830      6.861973
  C      -3.582670     -5.015095      8.095777
  C      -3.108502     -6.242200      8.894103
  C      -4.038449     -6.532554     10.044238
  C      -4.106783     -5.669389     11.148654
  C      -5.003604     -5.899066     12.186925
  C      -5.867782     -7.008030     12.165709
  C      -6.832511     -7.239957     13.261492
  C      -7.141053     -8.541831     13.692700
  C      -8.051551     -8.758507     14.725302
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  C      -8.383418     -6.376586     14.929953
  C      -7.472072     -6.161376     13.897507
  C      -5.791214     -7.878361     11.066886
  C      -4.896252     -7.639136     10.025374
  H       0.090254     -3.378562      1.978913
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  H      -0.621013     -3.422348      0.340813
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  H      -3.927587     -1.969276      1.396779
  H      -3.024243     -2.558635     -0.006734
  H      -1.675303     -0.472683     -0.062372
  H      -2.372499      0.039260      1.485345
  H      -4.870684      0.514470      1.619065
  H      -6.790323      1.535237      0.445184
  H      -5.895751      2.923174     -3.729029
  H      -7.828596      3.912953     -4.917079
  H     -10.149375      3.502930     -4.099175
  H     -10.509450      2.074717     -2.085613
  H      -8.577062      1.058137     -0.918279
  H      -4.789129      0.949797     -3.324870
  H      -2.858991     -0.045334     -2.141153
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  H      -7.882160     -0.988170      3.327182
  H      -5.883248     -1.741693      4.474050
  H      -8.132300     -3.767207      4.936427
  H      -8.118266     -2.125602      5.559265
  H      -6.315654     -2.560042      7.079831
  H      -5.729908     -3.907400      6.113266
  H      -7.794908     -5.826720      5.822672
  H      -8.833172     -7.492054      7.298552
  H      -8.441089     -9.074566      8.849345
  H      -9.452901    -10.773014     10.329829
  H     -10.705368    -10.070358     12.371635
  H     -10.949117     -7.641645     12.888874
  H      -9.965391     -5.943719     11.392393
  H      -8.015568     -4.984681     10.705850
  H      -7.000464     -3.301480      9.212308
  H      -0.726393     -4.473103      6.105772
  H      -0.830859     -4.512917      7.884257
  H      -1.085893     -6.000974      6.951640
  H      -2.823597     -3.471511      6.828790
  H      -3.619248     -4.164978      8.795636
  H      -4.625536     -5.171638      7.777865
  H      -2.091833     -6.058328      9.277458
  H      -3.043805     -7.133303      8.252363
  H      -3.439243     -4.805009     11.196448
  H      -5.022408     -5.221920     13.043374
  H      -6.645845     -9.391985     13.220167
  H      -8.272388     -9.778393     15.046591
  H      -9.388616     -7.846735     16.159635
  H      -8.874781     -5.524403     15.403588
  H      -7.267873     -5.143891     13.557625
  H      -6.474557     -8.727218     11.007797
  H      -4.873998     -8.318700      9.169370
  N      -3.421444     -2.245382      4.742661
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.871763686595
  N      -2.537427     -3.836691      2.462688
  C      -2.572147     -4.992099      1.569762
  C      -3.015055     -6.250668      2.311814
  N      -4.196585     -5.974645      3.132600
  C      -5.428764     -5.751217      2.372749
  C      -6.367687     -4.822825      3.137412
  N      -5.659914     -3.661121      3.670628
  Mo     -3.711333     -3.769171      4.074821
  N      -3.258197     -5.011841      5.559950
  C      -3.328103     -6.460296      5.380892
  C      -4.347190     -6.836458      4.306847
  H      -3.634505     -6.954483      6.317140
  H      -2.334064     -6.876054      5.122618
  H      -5.356197     -6.668369      4.709736
  H      -4.260964     -7.910062      4.046649
  H      -7.172465     -4.518554      2.446674
  H      -6.864981     -5.391212      3.948180
  H      -5.150642     -5.266669      1.425904
  H      -5.941366     -6.701150      2.123513
  H      -1.575041     -5.193751      1.141873
  H      -3.241487     -4.808175      0.705542
  H      -2.208425     -6.558996      2.992754
  H      -3.185044     -7.081082      1.597584
  C      -0.570056     -2.837754      1.250280
  C      -1.948774     -2.616420      1.876485
  C      -2.945110     -1.958776      0.904175
  C      -2.597830     -0.508111      0.534965
  C      -3.740949      0.162401     -0.178518
  C      -4.860937      0.609762      0.540212
  C      -5.953216      1.178732     -0.108109
  C      -5.970050      1.326266     -1.507247
  C      -7.129696      1.932297     -2.196945
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  C      -8.048262      3.307831     -3.987524
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  C      -9.533905      2.291523     -2.381759
  C      -8.439996      1.720494     -1.731973
  C      -4.847104      0.880844     -2.225097
  C      -3.756047      0.309023     -1.571612
  C      -7.381844     -1.964272      2.998696
  C      -6.546783     -2.572174      4.129268
  C      -7.439374     -3.023663      5.304465
  C      -6.625180     -3.483065      6.522872
  C      -7.313420     -4.466485      7.434553
  C      -7.817823     -5.679830      6.937715
  C      -8.419634     -6.613957      7.774941
  C      -8.544388     -6.379912      9.155686
  C      -9.182277     -7.374455     10.043019
  C      -9.058982     -8.752873      9.790916
  C      -9.653830     -9.693859     10.630686
  C     -10.387061     -9.277805     11.744358
  C     -10.518594     -7.913332     12.007869
  C      -9.923690     -6.974011     11.167682
  C      -8.034307     -5.169983      9.657250
  C      -7.433499     -4.236718      8.812733
  C      -1.185607     -4.929466      6.945007
  C      -2.671943     -4.570325      6.845885
  C      -3.509280     -5.009286      8.077958
  C      -3.042305     -6.228624      8.892457
  C      -3.992754     -6.512474     10.027317
  C      -4.085668     -5.642902     11.124806
  C      -5.003538     -5.867125     12.145844
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  C      -7.197506     -8.499411     13.601471
  C      -8.136529     -8.708760     14.609769
  C      -8.760788     -7.621707     15.227994
  C      -8.436726     -6.322673     14.825853
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  C      -5.765803     -7.852349     11.022123
  C      -4.847363     -7.621381      9.999546
  H       0.091771     -3.370367      1.948036
  H      -0.105901     -1.869905      1.018293
  H      -0.626462     -3.409381      0.312480
  H      -1.824856     -1.922405      2.721561
  H      -3.932200     -1.965698      1.393373
  H      -3.040302     -2.558537     -0.016454
  H      -1.693847     -0.474818     -0.092475
  H      -2.369054      0.040352      1.464698
  H      -4.868471      0.514033      1.629394
  H      -6.798659      1.541842      0.480001
  H      -5.945675      2.936269     -3.701849
  H      -7.886808      3.935847     -4.865450
  H     -10.199630      3.535967     -4.021741
  H     -10.542155      2.106280     -2.006779
  H      -8.602265      1.079335     -0.863789
  H      -4.840092      0.961835     -3.313938
  H      -2.899249     -0.039185     -2.154762
  H      -8.167418     -2.648045      2.643978
  H      -6.741447     -1.694627      2.146618
  H      -7.878816     -1.051699      3.357669
  H      -5.870665     -1.790156      4.506119
  H      -8.101573     -3.834565      4.960003
  H      -8.105773     -2.192537      5.584564
  H      -6.298961     -2.608601      7.106410
  H      -5.699716     -3.954460      6.145572
  H      -7.745628     -5.896150      5.868377
  H      -8.819843     -7.535929      7.347091
  H      -8.466280     -9.092236      8.939576
  H      -9.534108    -10.758233     10.418878
  H     -10.844403    -10.013175     12.408399
  H     -11.082546     -7.575885     12.878484
  H     -10.046323     -5.910518     11.378606
  H      -8.079201     -4.970814     10.729589
  H      -7.031739     -3.310513      9.233131
  H      -0.646733     -4.503429      6.087077
  H      -0.750391     -4.513824      7.866110
  H      -1.015134     -6.015183      6.956963
  H      -2.736955     -3.475861      6.804135
  H      -3.553129     -4.151790      8.768256
  H      -4.548142     -5.172969      7.752685
  H      -2.032667     -6.038931      9.291157
  H      -2.965406     -7.123787      8.258275
  H      -3.420716     -4.777554     11.182476
  H      -5.037933     -5.185159     12.998155
  H      -6.704346     -9.355407     13.135843
  H      -8.381426     -9.727807     14.916293
  H      -9.496640     -7.785985     16.017027
  H      -8.926214     -5.465602     15.294068
  H      -7.271637     -5.097814     13.490344
  H      -6.444240     -8.703973     10.953977
  H      -4.803610     -8.308836      9.150583
  N      -3.400159     -2.255946      4.734047
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.871969380820
  N      -2.528218     -3.825379      2.443378
  C      -2.571866     -4.968289      1.537566
  C      -2.989535     -6.240678      2.268840
  N      -4.155242     -5.985547      3.117810
  C      -5.406354     -5.766570      2.388096
  C      -6.334882     -4.854379      3.183527
  N      -5.626928     -3.688690      3.708291
  Mo     -3.674499     -3.780382      4.075500
  N      -3.177957     -5.032963      5.539949
  C      -3.234036     -6.479280      5.343263
  C      -4.270451     -6.857293      4.287486
  H      -3.516737     -6.986886      6.280167
  H      -2.239786     -6.878572      5.061425
  H      -5.272038     -6.701176      4.713729
  H      -4.180505     -7.928399      4.018450
  H      -7.159288     -4.550860      2.515657
  H      -6.802814     -5.433213      4.003853
  H      -5.152843     -5.271357      1.440020
  H      -5.916510     -6.719177      2.143002
  H      -1.581275     -5.154836      1.088133
  H      -3.260082     -4.777166      0.689675
  H      -2.166407     -6.553456      2.927812
  H      -3.170656     -7.061233      1.546041
  C      -0.567791     -2.806863      1.236895
  C      -1.946871     -2.598052      1.866385
  C      -2.948799     -1.937950      0.901302
  C      -2.604196     -0.487799      0.529012
  C      -3.754700      0.181363     -0.174629
  C      -4.870522      0.624599      0.553080
  C      -5.970739      1.188257     -0.086477
  C      -6.000213      1.333866     -1.485589
  C      -7.169105      1.931563     -2.166603
  C      -7.009515      2.730367     -3.312955
  C      -8.111852      3.292106     -3.956534
  C      -9.401917      3.069263     -3.468583
  C      -9.576435      2.278367     -2.330149
  C      -8.473636      1.716388     -1.687718
  C      -4.881104      0.893221     -2.212273
  C      -3.781838      0.327613     -1.567434
  C      -7.349118     -1.982563      3.059450
  C      -6.512553     -2.604992      4.180242
  C      -7.399067     -3.070475      5.351647
  C      -6.581361     -3.543176      6.562929
  C      -7.283895     -4.523790      7.467031
  C      -7.793095     -5.731136      6.961329
  C      -8.423506     -6.656939      7.786216
  C      -8.569365     -6.420777      9.164076
  C      -9.240340     -7.405151     10.038794
  C      -9.141472     -8.784348      9.784827
  C      -9.778510     -9.713367     10.607208
  C     -10.527438     -9.284270     11.705609
  C     -10.630779     -7.918975     11.973457
  C      -9.995629     -6.991494     11.149406
  C      -8.051734     -5.218855      9.675052
  C      -7.425532     -4.292228      8.842319
  C      -1.114914     -4.983472      6.942852
  C      -2.593795     -4.600225      6.828630
  C      -3.450649     -5.025587      8.052283
  C      -3.005334     -6.242237      8.884142
  C      -3.972890     -6.501459     10.010536
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  C      -5.771133     -7.809374     11.003542
  C      -4.840201     -7.600676      9.987408
  H       0.097737     -3.343051      1.928764
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  H      -3.048870     -2.538336     -0.018729
  H      -1.707257     -0.455261     -0.108490
  H      -2.365643      0.061982      1.455590
  H      -4.869430      0.528889      1.642213
  H      -6.812832      1.547479      0.508555
  H      -6.005258      2.932776     -3.689218
  H      -7.961927      3.915660     -4.839960
  H     -10.264410      3.509631     -3.971629
  H     -10.579926      2.090375     -1.944413
  H      -8.624946      1.079679     -0.814036
  H      -4.883203      0.972366     -3.301145
  H      -2.928869     -0.017609     -2.157748
  H      -8.130331     -2.663652      2.690055
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  H      -7.851856     -1.079838      3.434430
  H      -5.832424     -1.829033      4.562758
  H      -8.061700     -3.878417      5.002366
  H      -8.064187     -2.242805      5.643002
  H      -6.248862     -2.676401      7.154096
  H      -5.657007     -4.013439      6.180339
  H      -7.705342     -5.947365      5.893580
  H      -8.829685     -7.571999      7.350700
  H      -8.538782     -9.133101      8.944148
  H      -9.679470    -10.778780     10.393718
  H     -11.018443    -10.010320     12.355463
  H     -11.201678     -7.572171     12.836261
  H     -10.097225     -5.926508     11.361371
  H      -8.115257     -5.019734     10.745857
  H      -7.023879     -3.369924      9.270052
  H      -0.562456     -4.576266      6.083925
  H      -0.679211     -4.564600      7.862453
  H      -0.962842     -6.071719      6.967726
  H      -2.641143     -3.504819      6.783926
  H      -3.497581     -4.162613      8.735778
  H      -4.485232     -5.185877      7.713253
  H      -1.998890     -6.058079      9.293197
  H      -2.929998     -7.145008      8.260642
  H      -3.392067     -4.762195     11.155019
  H      -5.029859     -5.130537     12.957226
  H      -6.762328     -9.281744     13.110810
  H      -8.457288     -9.615429     14.879830
  H      -9.546479     -7.649897     15.967757
  H      -8.926904     -5.343690     15.243306
  H      -7.255168     -5.012884     13.449711
  H      -6.453650     -8.657569     10.939555
  H      -4.792865     -8.300907      9.149198
  N      -3.361459     -2.272720      4.742200
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872035345531
  N      -2.512548     -3.828966      2.414973
  C      -2.558714     -4.960760      1.496467
  C      -2.941936     -6.247909      2.218733
  N      -4.094419     -6.022290      3.095170
  C      -5.365783     -5.820340      2.395639
  C      -6.290752     -4.933647      3.220382
  N      -5.594989     -3.753082      3.729254
  Mo     -3.634231     -3.816365      4.064161
  N      -3.086388     -5.071315      5.511838
  C      -3.120339     -6.516071      5.299686
  C      -4.167122     -6.906555      4.259823
  H      -3.381418     -7.034342      6.237823
  H      -2.122694     -6.895596      5.003862
  H      -5.163805     -6.775625      4.706184
  H      -4.060556     -7.973533      3.980491
  H      -7.138277     -4.640685      2.576693
  H      -6.722523     -5.521495      4.053239
  H      -5.140936     -5.315807      1.445587
  H      -5.864571     -6.780935      2.157826
  H      -1.572477     -5.125482      1.028632
  H      -3.264237     -4.767666      0.663316
  H      -2.101460     -6.557364      2.856807
  H      -3.129189     -7.061073      1.489519
  C      -0.569719     -2.778464      1.208319
  C      -1.947030     -2.589096      1.848480
  C      -2.958882     -1.924140      0.897612
  C      -2.620126     -0.470542      0.535592
  C      -3.780250      0.203607     -0.148435
  C      -4.889669      0.633777      0.595354
  C      -5.998184      1.200560     -0.026369
  C      -6.042109      1.361813     -1.423159
  C      -7.219606      1.962047     -2.086212
  C      -7.074458      2.772221     -3.226438
  C      -8.185356      3.335632     -3.852389
  C      -9.469345      3.103719     -3.352612
  C      -9.629447      2.302215     -2.219611
  C      -8.518137      1.738239     -1.594731
  C      -4.929108      0.934621     -2.166014
  C      -3.821535      0.366460     -1.538737
  C      -7.338272     -2.062615      3.102363
  C      -6.488763     -2.683843      4.216066
  C      -7.363301     -3.166706      5.386559
  C      -6.536699     -3.638758      6.594393
  C      -7.243190     -4.615170      7.499025
  C      -7.739129     -5.829573      6.997498
  C      -8.389577     -6.744319      7.818687
  C      -8.568267     -6.487084      9.189274
  C      -9.268022     -7.455830     10.058957
  C      -9.173436     -8.838851      9.825684
  C      -9.843901     -9.751201     10.639090
  C     -10.621668     -9.301669     11.707554
  C     -10.718602     -7.931970     11.956591
  C     -10.049515     -7.021071     11.142020
  C      -8.058592     -5.281338      9.697156
  C      -7.412213     -4.366387      8.867850
  C      -1.031956     -5.056937      6.929624
  C      -2.501529     -4.645101      6.799323
  C      -3.377994     -5.049332      8.017452
  C      -2.956337     -6.258428      8.873433
  C      -3.945347     -6.486539      9.987522
  C      -4.041106     -5.584040     11.056992
  C      -4.999248     -5.744305     12.053060
  C      -5.900754     -6.823080     12.026746
  C      -6.936366     -6.978768     13.069300
  C      -7.344043     -8.249611     13.507455
  C      -8.325639     -8.390076     14.486224
  C      -8.924349     -7.263245     15.052223
  C      -8.529715     -5.992827     14.628916
  C      -7.548091     -5.853543     13.649175
  C      -5.789371     -7.738759     10.968966
  C      -4.835080     -7.568147      9.968123
  H       0.103629     -3.321122      1.887755
  H      -0.117920     -1.798571      1.001193
  H      -0.620999     -3.325152      0.254339
  H      -1.825220     -1.912457      2.707878
  H      -3.938990     -1.940519      1.400358
  H      -3.065824     -2.516601     -0.027047
  H      -1.731938     -0.430507     -0.113009
  H      -2.370597      0.072377      1.463033
  H      -4.877666      0.526909      1.683173
  H      -6.834683      1.550181      0.581355
  H      -6.074753      2.981796     -3.610927
  H      -8.046806      3.968322     -4.731056
  H     -10.338603      3.545342     -3.842085
  H     -10.628203      2.107558     -1.824584
  H      -8.657852      1.094483     -0.724453
  H      -4.941214      1.027152     -3.253510
  H      -2.973032      0.033267     -2.141510
  H      -8.108414     -2.751450      2.722868
  H      -6.706122     -1.748592      2.259251
  H      -7.857985     -1.173590      3.489276
  H      -5.812549     -1.903302      4.596119
  H      -8.022477     -3.978022      5.039602
  H      -8.032626     -2.344323      5.685058
  H      -6.202365     -2.771239      7.183476
  H      -5.610462     -4.103313      6.207755
  H      -7.626773     -6.060096      5.935267
  H      -8.788788     -7.663651      7.385808
  H      -8.548844     -9.202068      9.008271
  H      -9.749431    -10.820156     10.442250
  H     -11.142235    -10.014554     12.347625
  H     -11.311105     -7.569481     12.797286
  H     -10.145750     -5.952468     11.336815
  H      -8.146032     -5.070370     10.763876
  H      -7.020188     -3.439491      9.293021
  H      -0.464290     -4.675216      6.069155
  H      -0.593453     -4.633733      7.845352
  H      -0.902774     -6.147770      6.972160
  H      -2.527883     -3.549168      6.750412
  H      -3.427095     -4.178222      8.690133
  H      -4.408402     -5.206757      7.667197
  H      -1.955374     -6.077632      9.296539
  H      -2.879585     -7.172004      8.265226
  H      -3.349794     -4.739218     11.112849
  H      -5.033302     -5.034772     12.881647
  H      -6.874327     -9.137949     13.084613
  H      -8.625368     -9.388230     14.808593
  H      -9.695372     -7.374130     15.815937
  H      -8.996417     -5.104505     15.056484
  H      -7.265722     -4.855921     13.308952
  H      -6.486679     -8.575146     10.906725
  H      -4.786543     -8.285339      9.144873
  N      -3.336842     -2.308416      4.730438
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872172151535
  N      -2.517737     -3.823059      2.427636
  C      -2.555161     -4.955748      1.507515
  C      -2.936172     -6.244049      2.229657
  N      -4.094636     -6.022859      3.100887
  C      -5.364057     -5.828512      2.394876
  C      -6.297622     -4.944956      3.213002
  N      -5.609441     -3.757696      3.718019
  Mo     -3.650432     -3.815373      4.068978
  N      -3.095705     -5.064646      5.519396
  C      -3.124311     -6.510661      5.310138
  C      -4.167184     -6.906574      4.267924
  H      -3.385072     -7.029132      6.248600
  H      -2.124733     -6.888338      5.018697
  H      -5.166082     -6.781314      4.711826
  H      -4.054499     -7.973555      3.990360
  H      -7.145716     -4.660251      2.566992
  H      -6.728056     -5.531855      4.047090
  H      -5.137504     -5.325119      1.444876
  H      -5.856863     -6.792291      2.157009
  H      -1.566713     -5.116552      1.043363
  H      -3.257347     -4.767100      0.670686
  H      -2.097504     -6.550523      2.871331
  H      -3.117159     -7.057837      1.499700
  C      -0.572618     -2.763509      1.229817
  C      -1.955153     -2.579777      1.863287
  C      -2.963249     -1.920305      0.903814
  C      -2.625686     -0.465931      0.543052
  C      -3.782374      0.206956     -0.148734
  C      -4.897039      0.636077      0.587505
  C      -6.000940      1.204277     -0.041526
  C      -6.034559      1.368266     -1.438164
  C      -7.207072      1.970472     -2.109176
  C      -7.053107      2.784034     -3.246138
  C      -8.159265      3.349899     -3.878590
  C      -9.446819      3.116656     -3.388976
  C      -9.615818      2.311652     -2.259638
  C      -8.509315      1.745568     -1.627878
  C      -4.916290      0.942170     -2.173484
  C      -3.813532      0.372068     -1.538906
  C      -7.353109     -2.077123      3.069895
  C      -6.510222     -2.688854      4.195350
  C      -7.395286     -3.170964      5.360008
  C      -6.577146     -3.635935      6.577153
  C      -7.287242     -4.606551      7.483344
  C      -7.761572     -5.833063      6.990747
  C      -8.412362     -6.745204      7.814547
  C      -8.614672     -6.471365      9.179339
  C      -9.309280     -7.440096     10.054618
  C      -9.187463     -8.826175      9.843580
  C      -9.849993     -9.739432     10.663875
  C     -10.647952     -9.287864     11.716804
  C     -10.773210     -7.914508     11.942975
  C     -10.111252     -7.002855     11.122461
  C      -8.129033     -5.251170      9.677948
  C      -7.479303     -4.340562      8.846158
  C      -1.032538     -5.055010      6.923853
  C      -2.501618     -4.637609      6.802142
  C      -3.369912     -5.043175      8.027462
  C      -2.944134     -6.260350      8.870338
  C      -3.922556     -6.494586      9.993010
  C      -3.990866     -5.613912     11.083668
  C      -4.938595     -5.781801     12.089556
  C      -5.856701     -6.845784     12.050571
  C      -6.885447     -7.006027     13.099637
  C      -7.312008     -8.280166     13.512558
  C      -8.287907     -8.425164     14.496514
  C      -8.861702     -7.299778     15.093416
  C      -8.449657     -6.026183     14.693732
  C      -7.473784     -5.882240     13.708300
  C      -5.773529     -7.738617     10.970294
  C      -4.829123     -7.560708      9.961140
  H       0.098857     -3.304232      1.913002
  H      -0.123440     -1.781323      1.025709
  H      -0.614903     -3.309429      0.274747
  H      -1.842187     -1.901754      2.722506
  H      -3.946802     -1.938799      1.400343
  H      -3.062901     -2.513733     -0.021170
  H      -1.733267     -0.424654     -0.099329
  H      -2.383023      0.077851      1.471796
  H      -4.892593      0.528416      1.675268
  H      -6.841561      1.553416      0.560571
  H      -6.050323      2.994748     -3.622098
  H      -8.014097      3.985343     -4.754238
  H     -10.312360      3.559859     -3.883687
  H     -10.617624      2.116136     -1.872540
  H      -8.655353      1.099378     -0.760429
  H      -4.920428      1.036932     -3.260829
  H      -2.960400      0.040445     -2.135832
  H      -8.112650     -2.773546      2.682974
  H      -6.714177     -1.759312      2.233092
  H      -7.886280     -1.191957      3.448663
  H      -5.842074     -1.902918      4.577064
  H      -8.049365     -3.985389      5.010413
  H      -8.070280     -2.349616      5.651143
  H      -6.249071     -2.762629      7.161369
  H      -5.645816     -4.100859      6.204074
  H      -7.628119     -6.078183      5.933848
  H      -8.791821     -7.676393      7.388089
  H      -8.546312     -9.190405      9.038954
  H      -9.734435    -10.810746     10.484684
  H     -11.164323    -10.001479     12.360668
  H     -11.384103     -7.549566     12.769359
  H     -10.229538     -5.932190     11.298866
  H      -8.232940     -5.028161     10.741121
  H      -7.101719     -3.404703      9.265335
  H      -0.468476     -4.678744      6.058709
  H      -0.586747     -4.630408      7.835231
  H      -0.907509     -6.146490      6.970004
  H      -2.523415     -3.541497      6.755283
  H      -3.411160     -4.176693      8.706565
  H      -4.403486     -5.195609      7.684619
  H      -1.938106     -6.088256      9.285248
  H      -2.877112     -7.169123      8.253543
  H      -3.285992     -4.781380     11.148763
  H      -4.952777     -5.089406     12.933594
  H      -6.861587     -9.167822     13.065325
  H      -8.602252     -9.425725     14.799273
  H      -9.627797     -7.413948     15.861726
  H      -8.897355     -5.138694     15.145176
  H      -7.176614     -4.881731     13.387758
  H      -6.486548     -8.560466     10.896547
  H      -4.803018     -8.259165      9.120077
  N      -3.367339     -2.304326      4.731107
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872195595218
  N      -2.504550     -3.806241      2.432452
  C      -2.552815     -4.938372      1.509311
  C      -2.950479     -6.222912      2.229971
  N      -4.108873     -5.990340      3.098476
  C      -5.374678     -5.774808      2.390225
  C      -6.299338     -4.882179      3.211557
  N      -5.596414     -3.706297      3.724203
  Mo     -3.637725     -3.792948      4.074461
  N      -3.109062     -5.053299      5.525293
  C      -3.151819     -6.499340      5.309575
  C      -4.195656     -6.878328      4.261502
  H      -3.421488     -7.019828      6.243813
  H      -2.156101     -6.887543      5.019602
  H      -5.194188     -6.745316      4.701947
  H      -4.092951     -7.944825      3.978522
  H      -7.144128     -4.585080      2.566630
  H      -6.739621     -5.468924      4.040930
  H      -5.139537     -5.268527      1.443626
  H      -5.880211     -6.730132      2.144297
  H      -1.566258     -5.110426      1.045565
  H      -3.251481     -4.740919      0.671890
  H      -2.117101     -6.539310      2.873972
  H      -3.136877     -7.033832      1.498214
  C      -0.557878     -2.754768      1.228306
  C      -1.938645     -2.565830      1.864187
  C      -2.948081     -1.911006      0.903273
  C      -2.613613     -0.458060      0.532799
  C      -3.772107      0.205010     -0.165440
  C      -4.888857      0.637639      0.566039
  C      -5.996564      1.191904     -0.069671
  C      -6.032009      1.338561     -1.468236
  C      -7.210263      1.922607     -2.146553
  C      -7.063800      2.725112     -3.292800
  C      -8.175554      3.272343     -3.933026
  C      -9.461034      3.030497     -3.442185
  C      -9.622712      2.236021     -2.303944
  C      -8.510629      1.688965     -1.664198
  C      -4.910762      0.911006     -2.198634
  C      -3.804405      0.354109     -1.557531
  C      -7.322446     -2.004822      3.089369
  C      -6.484177     -2.630196      4.209510
  C      -7.373357     -3.106372      5.374944
  C      -6.558647     -3.582704      6.588487
  C      -7.272317     -4.549695      7.495934
  C      -7.761420     -5.770049      7.005271
  C      -8.412188     -6.678339      7.834025
  C      -8.598776     -6.408538      9.201244
  C      -9.291183     -7.375154     10.080081
  C      -9.187336     -8.759461      9.855446
  C      -9.844220     -9.672400     10.680193
  C     -10.620088     -9.222212     11.751316
  C     -10.728722     -7.850792     11.990190
  C     -10.072175     -6.939379     11.165336
  C      -8.098001     -5.195078      9.697714
  C      -7.449616     -4.287406      8.860900
  C      -1.054327     -5.051849      6.942440
  C      -2.524111     -4.637263      6.816833
  C      -3.397454     -5.052855      8.036522
  C      -2.967680     -6.271623      8.873830
  C      -3.950175     -6.526258      9.989096
  C      -4.031432     -5.655308     11.086639
  C      -4.977834     -5.844952     12.089901
  C      -5.881360     -6.921355     12.041196
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  C      -7.296452     -8.391411     13.507907
  C      -8.261413     -8.561420     14.499484
  C      -8.856937     -7.450951     15.102582
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  C      -7.513663     -5.998232     13.707854
  C      -5.788386     -7.802986     10.952090
  C      -4.844936     -7.602855      9.944894
  H       0.112793     -3.295294      1.911967
  H      -0.106639     -1.774261      1.020143
  H      -0.603598     -3.303288      0.275432
  H      -1.823708     -1.884743      2.720444
  H      -3.930625     -1.927148      1.401931
  H      -3.049219     -2.509050     -0.018481
  H      -1.720423     -0.419044     -0.108799
  H      -2.373517      0.093091      1.457986
  H      -4.883841      0.542411      1.655107
  H      -6.839688      1.542702      0.528485
  H      -6.062806      2.941878     -3.670229
  H      -8.036358      3.899370     -4.815962
  H     -10.330998      3.458694     -3.943137
  H     -10.622847      2.033655     -1.916012
  H      -8.650477      1.049797     -0.790241
  H      -4.916353      0.992105     -3.287226
  H      -2.949840      0.019038     -2.150904
  H      -8.091137     -2.691273      2.703898
  H      -6.681859     -1.693363      2.251595
  H      -7.843260     -1.114986      3.471591
  H      -5.808398     -1.852193      4.593165
  H      -8.035514     -3.913762      5.023920
  H      -8.040011     -2.280592      5.669883
  H      -6.221029     -2.712315      7.171702
  H      -5.635298     -4.057935      6.213406
  H      -7.639846     -6.013039      5.946682
  H      -8.802878     -7.604820      7.410107
  H      -8.563374     -9.123393      9.036659
  H      -9.742009    -10.742311     10.490496
  H     -11.131606     -9.935919     12.399514
  H     -11.325853     -7.486708     12.828109
  H     -10.178575     -5.869982     11.352221
  H      -8.188251     -4.974461     10.762535
  H      -7.057633     -3.357444      9.278728
  H      -0.485243     -4.661363      6.086805
  H      -0.616474     -4.639089      7.863207
  H      -0.926432     -6.143481      6.973938
  H      -2.547973     -3.540652      6.780991
  H      -3.446872     -4.190086      8.719911
  H      -4.429449     -5.208586      7.688742
  H      -1.965740     -6.094449      9.296162
  H      -2.889509     -7.174895      8.250111
  H      -3.335469     -4.815420     11.159962
  H      -5.001688     -5.161395     12.941026
  H      -6.827938     -9.266925     13.054924
  H      -8.549824     -9.569427     14.803819
  H      -9.613874     -7.584627     15.877663
  H      -8.945059     -5.291489     15.156345
  H      -7.241919     -4.990972     13.385673
  H      -6.493004     -8.632536     10.871019
  H      -4.809896     -8.292239      9.096953
  N      -3.332315     -2.287103      4.745697
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872272078552
  N      -2.489062     -3.813581      2.418682
  C      -2.538488     -4.941634      1.490805
  C      -2.921763     -6.232257      2.208756
  N      -4.074110     -6.010871      3.087218
  C      -5.345897     -5.799732      2.389203
  C      -6.269573     -4.917043      3.221851
  N      -5.570168     -3.738880      3.734127
  Mo     -3.609856     -3.813560      4.068802
  N      -3.063058     -5.075457      5.510442
  C      -3.097873     -6.521080      5.289601
  C      -4.146378     -6.902960      4.247244
  H      -3.355688     -7.048267      6.223243
  H      -2.101828     -6.900486      4.989011
  H      -5.142425     -6.778350      4.695584
  H      -4.038418     -7.967661      3.959642
  H      -7.123006     -4.624572      2.586774
  H      -6.696663     -5.512479      4.052058
  H      -5.120929     -5.286163      1.443862
  H      -5.847094     -6.756642      2.141411
  H      -1.555681     -5.105261      1.016265
  H      -3.246784     -4.745373      0.661333
  H      -2.081080     -6.546841      2.844149
  H      -3.108889     -7.040718      1.474222
  C      -0.554023     -2.750966      1.207879
  C      -1.931572     -2.569327      1.851361
  C      -2.949522     -1.914770      0.899753
  C      -2.620705     -0.460201      0.530402
  C      -3.786288      0.204959     -0.153249
  C      -4.895463      0.634834      0.591577
  C      -6.008929      1.193087     -0.030151
  C      -6.058238      1.346911     -1.427645
  C      -7.242031      1.936992     -2.090555
  C      -7.105362      2.745424     -3.233271
  C      -8.222232      3.299084     -3.858786
  C      -9.503410      3.057798     -3.356368
  C      -9.655371      2.257248     -2.221573
  C      -8.538117      1.703762     -1.596623
  C      -4.944814      0.921510     -2.171539
  C      -3.832598      0.360416     -1.544447
  C      -7.301264     -2.039024      3.108893
  C      -6.462111     -2.668629      4.225315
  C      -7.350282     -3.155467      5.386634
  C      -6.535657     -3.633294      6.599660
  C      -7.253244     -4.601770      7.503378
  C      -7.731482     -5.826064      7.009686
  C      -8.393230     -6.733268      7.831327
  C      -8.604399     -6.458014      9.194046
  C      -9.316430     -7.418815     10.063337
  C      -9.205734     -8.805551      9.853107
  C      -9.884015     -9.712499     10.666694
  C     -10.689814     -9.253623     11.711069
  C     -10.805822     -7.879810     11.935492
  C     -10.127281     -6.974488     11.122478
  C      -8.112898     -5.241349      9.694590
  C      -7.451821     -4.335431      8.865183
  C      -1.013865     -5.085271      6.937465
  C      -2.479274     -4.658593      6.802048
  C      -3.364221     -5.057801      8.018248
  C      -2.951589     -6.271658      8.870275
  C      -3.944194     -6.500848      9.980721
  C      -4.023011     -5.616843     11.067618
  C      -4.979255     -5.783813     12.064798
  C      -5.896695     -6.848232     12.019308
  C      -6.926860     -7.010572     13.067427
  C      -7.342672     -8.285675     13.488095
  C      -8.311396     -8.432918     14.479421
  C      -8.888231     -7.308369     15.075892
  C      -8.488847     -6.033760     14.666142
  C      -7.520163     -5.887542     13.673378
  C      -5.805876     -7.742803     10.940999
  C      -4.851672     -7.566420      9.940522
  H       0.121490     -3.292282      1.885705
  H      -0.107157     -1.768512      1.001557
  H      -0.603826     -3.295578      0.253435
  H      -1.814376     -1.890675      2.709102
  H      -3.928196     -1.934467      1.405478
  H      -3.055802     -2.510692     -0.022304
  H      -1.734012     -0.418499     -0.120410
  H      -2.371504      0.087984      1.454971
  H      -4.879472      0.534409      1.680182
  H      -6.845666      1.541937      0.578448
  H      -6.107750      2.962070     -3.619702
  H      -8.090421      3.930688     -4.739246
  H     -10.377363      3.491151     -3.845706
  H     -10.652004      2.055180     -1.824646
  H      -8.670873      1.059735     -0.725470
  H      -4.961256      1.007817     -3.259768
  H      -2.984287      0.027268     -2.148194
  H      -8.062302     -2.728328      2.713543
  H      -6.659577     -1.714241      2.277268
  H      -7.830930     -1.157625      3.498194
  H      -5.789588     -1.891024      4.615940
  H      -8.006227     -3.965756      5.029599
  H      -8.023059     -2.335924      5.685089
  H      -6.200053     -2.763935      7.185938
  H      -5.611380     -4.107284      6.225453
  H      -7.594276     -6.071814      5.953201
  H      -8.775654     -7.662189      7.403787
  H      -8.560222     -9.176318      9.054649
  H      -9.775729    -10.784505     10.488674
  H     -11.218569     -9.962645     12.350299
  H     -11.426909     -7.508897     12.752242
  H     -10.240006     -5.903247     11.297446
  H      -8.222119     -5.016080     10.757054
  H      -7.069710     -3.401926      9.286413
  H      -0.437580     -4.706790      6.081097
  H      -0.576708     -4.668310      7.856816
  H      -0.895594     -6.177331      6.978780
  H      -2.493088     -3.562144      6.759328
  H      -3.413169     -4.188880      8.693752
  H      -4.394560     -5.209252      7.662552
  H      -1.950346     -6.100120      9.296918
  H      -2.880115     -7.182478      8.257595
  H      -3.317145     -4.785170     11.137594
  H      -5.000780     -5.091257     12.908714
  H      -6.887640     -9.172272     13.041702
  H      -8.617127     -9.434009     14.789221
  H      -9.647821     -7.424265     15.851286
  H      -8.940199     -5.146881     15.116707
  H      -7.231433     -4.886946     13.345437
  H      -6.518563     -8.565339     10.863792
  H      -4.817928     -8.265820      9.101034
  N      -3.309162     -2.308408      4.747035
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872304013938
  N      -2.485478     -3.822848      2.421420
  C      -2.524620     -4.951690      1.494552
  C      -2.903580     -6.243924      2.210958
  N      -4.062284     -6.030508      3.082811
  C      -5.332259     -5.829478      2.379467
  C      -6.264887     -4.950657      3.204462
  N      -5.575999     -3.764477      3.711550
  Mo     -3.616420     -3.828479      4.064571
  N      -3.061749     -5.084957      5.508118
  C      -3.091276     -6.530496      5.290888
  C      -4.133023     -6.920219      4.244858
  H      -3.353124     -7.055220      6.225389
  H      -2.091829     -6.908113      4.998829
  H      -5.132123     -6.801401      4.688393
  H      -4.017149     -7.985153      3.960395
  H      -7.118054     -4.667447      2.564782
  H      -6.691480     -5.543581      4.036824
  H      -5.105909     -5.318472      1.433132
  H      -5.826525     -6.790326      2.133333
  H      -1.537883     -5.109681      1.025846
  H      -3.229091     -4.759442      0.660785
  H      -2.064859     -6.553382      2.851161
  H      -3.081719     -7.053685      1.475570
  C      -0.553984     -2.751405      1.214769
  C      -1.933113     -2.575040      1.856196
  C      -2.951045     -1.920529      0.904794
  C      -2.625058     -0.463099      0.544181
  C      -3.791419      0.205297     -0.134950
  C      -4.900652      0.628379      0.613092
  C      -6.014020      1.191268     -0.004031
  C      -6.063105      1.356406     -1.400169
  C      -7.246169      1.952696     -2.058081
  C      -7.108630      2.770558     -3.193762
  C      -8.224937      3.330697     -3.813795
  C      -9.506267      3.086840     -3.312655
  C      -9.659071      2.277166     -2.184606
  C      -8.542357      1.716979     -1.565242
  C      -4.949956      0.937135     -2.147468
  C      -3.837750      0.371661     -1.524855
  C      -7.314759     -2.077673      3.071957
  C      -6.474547     -2.696747      4.194653
  C      -7.362974     -3.181749      5.355927
  C      -6.550221     -3.648498      6.575325
  C      -7.267490     -4.613950      7.481735
  C      -7.739258     -5.842659      6.992887
  C      -8.399110     -6.748256      7.817487
  C      -8.612638     -6.467556      9.178710
  C      -9.317479     -7.429537     10.052657
  C      -9.205256     -8.815854      9.842512
  C      -9.875122     -9.723824     10.662157
  C     -10.672701     -9.266613     11.713573
  C     -10.789218     -7.893241     11.938582
  C     -10.120325     -6.986730     11.118431
  C      -8.128039     -5.246106      9.674118
  C      -7.470693     -4.340889      8.841423
  C      -1.011794     -5.087845      6.932713
  C      -2.477529     -4.662953      6.796789
  C      -3.360137     -5.059652      8.015331
  C      -2.945132     -6.270500      8.870715
  C      -3.935627     -6.494834      9.984050
  C      -4.002101     -5.612238     11.072681
  C      -4.959666     -5.769078     12.070210
  C      -5.889569     -6.822814     12.023905
  C      -6.924629     -6.971001     13.068785
  C      -7.358614     -8.239794     13.489293
  C      -8.334154     -8.373743     14.475288
  C      -8.899877     -7.242084     15.066028
  C      -8.482202     -5.973639     14.656526
  C      -7.506618     -5.840518     13.669271
  C      -5.808903     -7.718303     10.945944
  C      -4.854585     -7.550824      9.944283
  H       0.122057     -3.292511      1.892445
  H      -0.109155     -1.767098      1.011757
  H      -0.600017     -3.293821      0.258561
  H      -1.820050     -1.898029      2.715863
  H      -3.931066     -1.945850      1.407601
  H      -3.053909     -2.511873     -0.020695
  H      -1.738272     -0.415543     -0.105903
  H      -2.377193      0.080025      1.471986
  H      -4.884451      0.520059      1.700826
  H      -6.850464      1.535319      0.607341
  H      -6.110752      2.989294     -3.578501
  H      -8.092549      3.969711     -4.688745
  H     -10.379827      3.525375     -3.797605
  H     -10.655822      2.073301     -1.788614
  H      -8.675383      1.066545     -0.698944
  H      -4.965946      1.032897     -3.234832
  H      -2.989129      0.044543     -2.131089
  H      -8.069315     -2.774230      2.676334
  H      -6.673037     -1.751196      2.241001
  H      -7.853232     -1.198266      3.455448
  H      -5.806613     -1.913251      4.581917
  H      -8.014328     -3.997149      5.002187
  H      -8.040481     -2.362821      5.647299
  H      -6.217189     -2.774442      7.156031
  H      -5.622607     -4.123083      6.207163
  H      -7.598094     -6.093411      5.938169
  H      -8.776332     -7.681327      7.394266
  H      -8.565440     -9.185093      9.039002
  H      -9.766325    -10.795354     10.484045
  H     -11.194491     -9.976321     12.357737
  H     -11.403399     -7.523810     12.761331
  H     -10.233127     -5.915897     11.293999
  H      -8.239293     -5.016707     10.735351
  H      -7.093455     -3.403875      9.258740
  H      -0.435917     -4.713175      6.074622
  H      -0.574165     -4.666812      7.849728
  H      -0.892734     -6.179768      6.979004
  H      -2.492869     -3.566650      6.750930
  H      -3.409237     -4.188778      8.688381
  H      -4.390651     -5.213390      7.662221
  H      -1.943438     -6.096942      9.295195
  H      -2.873855     -7.183694      8.261025
  H      -3.287073     -4.788173     11.142118
  H      -4.973542     -5.076348     12.913771
  H      -6.913820     -9.131692     13.045854
  H      -8.654278     -9.370113     14.784884
  H      -9.664856     -7.347571     15.836920
  H      -8.925018     -5.081343     15.102264
  H      -7.204036     -4.844529     13.340682
  H      -6.530958     -8.532540     10.868805
  H      -4.830834     -8.248947      9.103579
  N      -3.328646     -2.318508      4.734963
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872333128455
  N      -2.476508     -3.821992      2.417528
  C      -2.517961     -4.950367      1.489690
  C      -2.891529     -6.243900      2.206768
  N      -4.046691     -6.033148      3.084195
  C      -5.320757     -5.835874      2.386752
  C      -6.251792     -4.958886      3.216112
  N      -5.563268     -3.770015      3.717545
  Mo     -3.602567     -3.830455      4.064709
  N      -3.038932     -5.085367      5.505489
  C      -3.064713     -6.531077      5.288131
  C      -4.109677     -6.923836      4.246184
  H      -3.320205     -7.057262      6.223652
  H      -2.065392     -6.905249      4.991370
  H      -5.107328     -6.808809      4.693956
  H      -3.991196     -7.988166      3.960455
  H      -7.110218     -4.680004      2.581472
  H      -6.671144     -5.552506      4.051738
  H      -5.100361     -5.324265      1.439344
  H      -5.813535     -6.798111      2.142970
  H      -1.533392     -5.106297      1.015929
  H      -3.226906     -4.758975      0.659485
  H      -2.049255     -6.552638      2.842643
  H      -3.071497     -7.053323      1.471477
  C      -0.550700     -2.746884      1.204464
  C      -1.928186     -2.573039      1.850480
  C      -2.950477     -1.920511      0.902232
  C      -2.627637     -0.462953      0.539130
  C      -3.797282      0.203662     -0.136126
  C      -4.904021      0.626648      0.615816
  C      -6.020159      1.188329      0.002453
  C      -6.074724      1.352292     -1.393604
  C      -7.260733      1.947346     -2.047467
  C      -7.128047      2.765035     -3.184084
  C      -8.247096      3.323960     -3.800484
  C      -9.526341      3.079005     -3.294607
  C      -9.674316      2.269478     -2.165544
  C      -8.554867      1.710504     -1.549859
  C      -4.964264      0.932902     -2.144821
  C      -3.849230      0.368677     -1.525988
  C      -7.299679     -2.082391      3.075662
  C      -6.461933     -2.701913      4.199893
  C      -7.352387     -3.186633      5.359863
  C      -6.542184     -3.651807      6.581321
  C      -7.263897     -4.612099      7.489630
  C      -7.733173     -5.843400      7.005454
  C      -8.399731     -6.742841      7.831351
  C      -8.622962     -6.453225      9.189014
  C      -9.334307     -7.409484     10.064107
  C      -9.219838     -8.797196      9.863945
  C      -9.896952     -9.700148     10.683379
  C     -10.704456     -9.236337     11.724464
  C     -10.823343     -7.861502     11.939521
  C     -10.146628     -6.960053     11.120082
  C      -8.140522     -5.229311      9.679866
  C      -7.475985     -4.330504      8.846021
  C      -0.992814     -5.093693      6.935028
  C      -2.456547     -4.663414      6.795073
  C      -3.344214     -5.057149      8.011413
  C      -2.933276     -6.267556      8.869384
  C      -3.930717     -6.493713      9.976539
  C      -4.000916     -5.615539     11.068707
  C      -4.963507     -5.775100     12.061274
  C      -5.894866     -6.827083     12.006197
  C      -6.933635     -6.978803     13.047282
  C      -7.369787     -8.249272     13.460789
  C      -8.347701     -8.386900     14.444123
  C      -8.913909     -7.257205     15.038927
  C      -8.494689     -5.987018     14.635867
  C      -7.516614     -5.850198     13.651343
  C      -5.811291     -7.717578     10.924136
  C      -4.851795     -7.547467      9.927443
  H       0.127961     -3.288145      1.879567
  H      -0.107661     -1.761776      1.001228
  H      -0.599168     -3.288266      0.247632
  H      -1.813589     -1.895654      2.709805
  H      -3.928737     -1.946374      1.408640
  H      -3.055863     -2.512772     -0.022531
  H      -1.743303     -0.415100     -0.114217
  H      -2.376893      0.081062      1.465695
  H      -4.883649      0.518949      1.703535
  H      -6.854658      1.532011      0.616618
  H      -6.131784      2.984452     -3.572564
  H      -8.118475      3.962765     -4.676352
  H     -10.402060      3.516575     -3.776652
  H     -10.669409      2.064769     -1.765884
  H      -8.684086      1.060117     -0.682723
  H      -4.984739      1.027634     -3.232185
  H      -3.002860      0.041356     -2.135197
  H      -8.050348     -2.780534      2.675603
  H      -6.655475     -1.752237      2.248050
  H      -7.842318     -1.205547      3.458949
  H      -5.794643     -1.918594      4.588521
  H      -8.001854     -4.003129      5.005314
  H      -8.031363     -2.368533      5.649632
  H      -6.208582     -2.776443      7.159640
  H      -5.615053     -4.129554      6.217167
  H      -7.584806     -6.100861      5.953420
  H      -8.774621     -7.678392      7.411914
  H      -8.573009     -9.171463      9.068196
  H      -9.786377    -10.772872     10.513090
  H     -11.232109     -9.942011     12.368343
  H     -11.445483     -7.487016     12.754089
  H     -10.261585     -5.888046     11.287599
  H      -8.258469     -4.993228     10.738763
  H      -7.100348     -3.391607      9.260005
  H      -0.413706     -4.723909      6.076993
  H      -0.555601     -4.671275      7.851611
  H      -0.877910     -6.185990      6.985140
  H      -2.467825     -3.567095      6.748526
  H      -3.396578     -4.185073      8.682709
  H      -4.373075     -5.211850      7.654017
  H      -1.934455     -6.093524      9.300348
  H      -2.857577     -7.180327      8.259354
  H      -3.284165     -4.793687     11.145197
  H      -4.979878     -5.086587     12.908372
  H      -6.924802     -9.139672     13.013850
  H      -8.669712     -9.384539     14.748158
  H      -9.680628     -7.365608     15.807868
  H      -8.938019     -5.096190     15.084719
  H      -7.212482     -4.852891     13.327705
  H      -6.534654     -8.530038     10.840535
  H      -4.825039     -8.242149      9.083748
  N      -3.315754     -2.319723      4.733627
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872362337296
  N      -2.448420     -3.821253      2.412975
  C      -2.490462     -4.947169      1.481475
  C      -2.860333     -6.244079      2.194768
  N      -4.014397     -6.039294      3.074831
  C      -5.290429     -5.841632      2.380813
  C      -6.220731     -4.967676      3.215167
  N      -5.532923     -3.778057      3.715745
  Mo     -3.572013     -3.838271      4.062473
  N      -3.003198     -5.096781      5.497422
  C      -3.027108     -6.542159      5.275646
  C      -4.073152     -6.933661      4.234077
  H      -3.279088     -7.072268      6.209715
  H      -2.027955     -6.913419      4.974949
  H      -5.070289     -6.822925      4.683900
  H      -3.952122     -7.996633      3.944510
  H      -7.083477     -4.691434      2.585102
  H      -6.635074     -5.564619      4.051049
  H      -5.072989     -5.326058      1.434844
  H      -5.782580     -6.803591      2.134329
  H      -1.507421     -5.100043      1.003806
  H      -3.202538     -4.754210      0.654294
  H      -2.016272     -6.553540      2.828125
  H      -3.038877     -7.051122      1.456429
  C      -0.533497     -2.734452      1.192549
  C      -1.908382     -2.568785      1.845858
  C      -2.939566     -1.920068      0.904777
  C      -2.627811     -0.459885      0.542360
  C      -3.806792      0.201153     -0.121928
  C      -4.909612      0.616929      0.640195
  C      -6.034561      1.172523      0.037256
  C      -6.102376      1.337740     -1.358086
  C      -7.297962      1.926244     -2.000641
  C      -7.180493      2.746978     -3.136830
  C      -8.308506      3.299739     -3.742760
  C      -9.581697      3.045308     -3.226570
  C      -9.714586      2.232503     -2.097867
  C      -8.586184      1.679768     -1.492661
  C      -4.995880      0.925763     -2.119497
  C      -3.872021      0.367345     -1.511149
  C      -7.264276     -2.087866      3.071645
  C      -6.432535     -2.710653      4.198118
  C      -7.328670     -3.197182      5.353076
  C      -6.525893     -3.660430      6.579616
  C      -7.257420     -4.612575      7.489014
  C      -7.722611     -5.847539      7.010320
  C      -8.399622     -6.738722      7.836711
  C      -8.638447     -6.437322      9.189075
  C      -9.360009     -7.385468     10.064513
  C      -9.245059     -8.774963      9.876796
  C      -9.931682     -9.670653     10.696126
  C     -10.749742     -9.197648     11.724798
  C     -10.869210     -7.821067     11.927581
  C     -10.182830     -6.926915     11.108379
  C      -8.160450     -5.209504      9.674455
  C      -7.485068     -4.319077      8.840347
  C      -0.964184     -5.118667      6.937377
  C      -2.424327     -4.678847      6.790299
  C      -3.320981     -5.066792      8.002140
  C      -2.921931     -6.277993      8.864418
  C      -3.929038     -6.496837      9.964252
  C      -3.993337     -5.624501     11.061505
  C      -4.963990     -5.776856     12.047357
  C      -5.909661     -6.815117     11.979639
  C      -6.954908     -6.959748     13.015456
  C      -7.409072     -8.227384     13.418481
  C      -8.390240     -8.359080     14.399388
  C      -8.942236     -7.225841     15.001602
  C      -8.506298     -5.958177     14.607730
  C      -7.524688     -5.827324     13.625866
  C      -5.833080     -7.699127     10.891693
  C      -4.865216     -7.536335      9.901822
  H       0.150399     -3.275439      1.862472
  H      -0.095467     -1.747030      0.990486
  H      -0.585178     -3.272780      0.234262
  H      -1.793028     -1.892490      2.706047
  H      -3.914681     -1.952258      1.416723
  H      -3.046836     -2.511078     -0.020538
  H      -1.748765     -0.405759     -0.117717
  H      -2.373088      0.083408      1.468316
  H      -4.879346      0.507607      1.727555
  H      -6.866048      1.509993      0.659082
  H      -6.189090      2.973622     -3.533392
  H      -8.191641      3.940997     -4.618537
  H     -10.464452      3.478054     -3.700328
  H     -10.704818      2.020321     -1.690257
  H      -8.703629      1.026577     -0.625876
  H      -5.026743      1.021336     -3.206567
  H      -3.029284      0.045130     -2.128244
  H      -8.008272     -2.787471      2.661921
  H      -6.614600     -1.750567      2.251220
  H      -7.813685     -1.215883      3.455555
  H      -5.766841     -1.928859      4.592277
  H      -7.973365     -4.015581      4.994217
  H      -8.011455     -2.381476      5.639435
  H      -6.191424     -2.783536      7.154933
  H      -5.600024     -4.145697      6.223714
  H      -7.562629     -6.114054      5.962229
  H      -8.770544     -7.677585      7.421444
  H      -8.590562     -9.156737      9.090923
  H      -9.820423    -10.744838     10.535541
  H     -11.284732     -9.897486     12.368917
  H     -11.499897     -7.439514     12.732262
  H     -10.298875     -5.853546     11.266321
  H      -8.289981     -4.963445     10.729736
  H      -7.113416     -3.376851      9.250483
  H      -0.378476     -4.753080      6.081921
  H      -0.528952     -4.698140      7.855932
  H      -0.856402     -6.211640      6.989050
  H      -2.428153     -3.582419      6.744297
  H      -3.374565     -4.193250      8.671451
  H      -4.348038     -5.217982      7.637991
  H      -1.925576     -6.108716      9.302906
  H      -2.847070     -7.191612      8.255644
  H      -3.264809     -4.814083     11.147167
  H      -4.975903     -5.094237     12.899391
  H      -6.975355     -9.120478     12.965148
  H      -8.726437     -9.354543     14.695454
  H      -9.711203     -7.329636     15.769055
  H      -8.938879     -5.064483     15.062164
  H      -7.206629     -4.831878     13.309462
  H      -6.568080     -8.499987     10.798961
  H      -4.843608     -8.225347      9.053223
  N      -3.285401     -2.329471      4.736991
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872387672673
  N      -2.409505     -3.831342      2.403359
  C      -2.448091     -4.956498      1.470672
  C      -2.807701     -6.256913      2.183009
  N      -3.961030     -6.061580      3.065921
  C      -5.240335     -5.873410      2.375354
  C      -6.173979     -5.004299      3.211520
  N      -5.492837     -3.808472      3.705638
  Mo     -3.531573     -3.857726      4.054760
  N      -2.949152     -5.112812      5.485437
  C      -2.964040     -6.558345      5.263882
  C      -4.010079     -6.957111      4.224703
  H      -3.208533     -7.090789      6.198585
  H      -1.963315     -6.922190      4.959278
  H      -5.006965     -6.854390      4.676821
  H      -3.881197     -8.018854      3.933931
  H      -7.042433     -4.738038      2.585032
  H      -6.580046     -5.602992      4.050408
  H      -5.029221     -5.356573      1.428571
  H      -5.726495     -6.838757      2.130585
  H      -1.466102     -5.102951      0.988801
  H      -3.164772     -4.766843      0.646584
  H      -1.960019     -6.561704      2.813814
  H      -2.981557     -7.064028      1.443621
  C      -0.513564     -2.728719      1.167712
  C      -1.883079     -2.574001      1.834479
  C      -2.927837     -1.929181      0.905819
  C      -2.631050     -0.464681      0.547757
  C      -3.823470      0.192276     -0.095971
  C      -4.917725      0.596723      0.684596
  C      -6.054541      1.149197      0.101529
  C      -6.143423      1.322867     -1.291604
  C      -7.351165      1.909580     -1.912598
  C      -7.254078      2.739371     -3.044101
  C      -8.393321      3.291310     -3.629451
  C      -9.657686      3.026859     -3.096837
  C      -9.770341      2.204746     -1.972654
  C      -8.630720      1.652862     -1.388065
  C      -5.045833      0.921818     -2.071555
  C      -3.910056      0.366231     -1.483096
  C      -7.221126     -2.122188      3.046929
  C      -6.397534     -2.742127      4.181012
  C      -7.301368     -3.228733      5.329924
  C      -6.508827     -3.682971      6.566156
  C      -7.252989     -4.623101      7.478213
  C      -7.711975     -5.863982      7.008744
  C      -8.402870     -6.743120      7.836531
  C      -8.663040     -6.423615      9.180695
  C      -9.398292     -7.359878     10.057356
  C      -9.282002     -8.751674      9.888565
  C      -9.982790     -9.636623     10.707308
  C     -10.816801     -9.150318     11.716686
  C     -10.937408     -7.771388     11.901086
  C     -10.236924     -6.887981     11.082397
  C      -8.191511     -5.189729      9.656889
  C      -7.501717     -4.311527      8.821685
  C      -0.920381     -5.140747      6.940090
  C      -2.376369     -4.692098      6.780508
  C      -3.284985     -5.068564      7.986995
  C      -2.900979     -6.277287      8.859290
  C      -3.922418     -6.484525      9.948004
  C      -3.981555     -5.617813     11.049887
  C      -4.964749     -5.758351     12.025031
  C      -5.928755     -6.778344     11.940938
  C      -6.984690     -6.911273     12.967602
  C      -7.463862     -8.173483     13.358308
  C      -8.450800     -8.294875     14.334722
  C      -8.984577     -7.156286     14.943650
  C      -8.525536     -5.893623     14.560230
  C      -7.537583     -5.773095     13.583370
  C      -5.858601     -7.655963     10.847338
  C      -4.877900     -7.505112      9.868260
  H       0.179505     -3.268686      1.828915
  H      -0.083042     -1.738033      0.965581
  H      -0.572029     -3.263569      0.207845
  H      -1.764274     -1.899183      2.695474
  H      -3.897793     -1.971001      1.426650
  H      -3.039209     -2.516665     -0.021242
  H      -1.761048     -0.400575     -0.123313
  H      -2.368107      0.074507      1.473795
  H      -4.871028      0.480653      1.770667
  H      -6.879062      1.477533      0.737337
  H      -6.269595      2.973829     -3.453179
  H      -8.292193      3.939766     -4.501857
  H     -10.549224      3.459066     -3.554321
  H     -10.753543      1.984657     -1.552405
  H      -8.732445      0.992539     -0.524704
  H      -5.093252      1.024069     -3.157436
  H      -3.074582      0.052598     -2.114341
  H      -7.953588     -2.827359      2.626328
  H      -6.564121     -1.777358      2.235597
  H      -7.782558     -1.255981      3.426557
  H      -5.736320     -1.958884      4.579955
  H      -7.937428     -4.052528      4.967910
  H      -7.991619     -2.416214      5.607242
  H      -6.175609     -2.801814      7.135661
  H      -5.582585     -4.176798      6.223920
  H      -7.536139     -6.144195      5.966752
  H      -8.768182     -7.687309      7.428440
  H      -8.616241     -9.144172      9.117580
  H      -9.870299    -10.712689     10.561228
  H     -11.363042     -9.841529     12.360531
  H     -11.580482     -7.379559     12.690861
  H     -10.354799     -5.812758     11.225623
  H      -8.337014     -4.928735     10.706476
  H      -7.135843     -3.364204      9.225188
  H      -0.326522     -4.785627      6.085854
  H      -0.488569     -4.715820      7.858160
  H      -0.819990     -6.233872      7.001157
  H      -2.372810     -3.595967      6.729310
  H      -3.341247     -4.190765      8.650453
  H      -4.309196     -5.217594      7.613835
  H      -1.909077     -6.111070      9.308837
  H      -2.824407     -7.193807      8.255129
  H      -3.238228     -4.822303     11.147410
  H      -4.972813     -5.081710     12.881862
  H      -7.044656     -9.070693     12.899277
  H      -8.806517     -9.286196     14.621521
  H      -9.757888     -7.252145     15.707879
  H      -8.944316     -4.995652     15.019442
  H      -7.200129     -4.781331     13.275561
  H      -6.608529     -8.441348     10.742464
  H      -4.861079     -8.188181      9.014761
  N      -3.253891     -2.346784      4.729007
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872407260422
  N      -2.380305     -3.836147      2.399351
  C      -2.415322     -4.960105      1.465482
  C      -2.770314     -6.262964      2.175724
  N      -3.924698     -6.073721      3.058559
  C      -5.204796     -5.890193      2.368144
  C      -6.141110     -5.023805      3.204539
  N      -5.464198     -3.825249      3.697200
  Mo     -3.503305     -3.868811      4.050424
  N      -2.915349     -5.123651      5.478211
  C      -2.925223     -6.569085      5.255348
  C      -3.970320     -6.970740      4.216291
  H      -3.166752     -7.103286      6.189743
  H      -1.923468     -6.928557      4.949048
  H      -4.967537     -6.871797      4.668545
  H      -3.837591     -8.031652      3.924372
  H      -7.011020     -4.761432      2.578265
  H      -6.544858     -5.623425      4.043963
  H      -4.995857     -5.372629      1.421269
  H      -5.687572     -6.857298      2.123740
  H      -1.432903     -5.102738      0.983188
  H      -3.132981     -4.771417      0.641896
  H      -1.921614     -6.565157      2.806469
  H      -2.940129     -7.069710      1.435007
  C      -0.497268     -2.720591      1.155236
  C      -1.863095     -2.574892      1.831364
  C      -2.916863     -1.932003      0.911381
  C      -2.632321     -0.463544      0.559424
  C      -3.834292      0.188305     -0.071674
  C      -4.925308      0.580704      0.719728
  C      -6.070981      1.127316      0.148595
  C      -6.172326      1.307287     -1.242898
  C      -7.389459      1.888065     -1.851049
  C      -7.307773      2.723810     -2.979350
  C      -8.455695      3.270516     -3.552576
  C      -9.713611      2.994763     -3.010706
  C      -9.810972      2.166518     -1.889601
  C      -8.662708      1.619854     -1.317165
  C      -5.077937      0.918541     -2.033639
  C      -3.933321      0.368579     -1.457138
  C      -7.188416     -2.140823      3.026109
  C      -6.372131     -2.758849      4.166474
  C      -7.282921     -3.244413      5.310069
  C      -6.499584     -3.693665      6.553509
  C      -7.255248     -4.624203      7.466152
  C      -7.715719     -5.866330      7.001450
  C      -8.416733     -6.736858      7.829820
  C      -8.686082     -6.407265      9.169733
  C      -9.430364     -7.335253     10.047540
  C      -9.318563     -8.728374      9.887752
  C     -10.028181     -9.605684     10.707056
  C     -10.866563     -9.110301     11.708301
  C     -10.982481     -7.729961     11.884122
  C     -10.273411     -6.854173     11.064607
  C      -8.214041     -5.171745      9.640796
  C      -7.514132     -4.302073      8.805074
  C      -0.891919     -5.155281      6.941050
  C      -2.345823     -4.702434      6.775015
  C      -3.260131     -5.073469      7.978475
  C      -2.886780     -6.283986      8.853166
  C      -3.915448     -6.483570      9.936470
  C      -3.965446     -5.624403     11.044560
  C      -4.955539     -5.755940     12.014035
  C      -5.935950     -6.759007     11.917395
  C      -6.998036     -6.883163     12.938706
  C      -7.499703     -8.140693     13.316061
  C      -8.490284     -8.254436     14.289604
  C      -9.006087     -7.112650     14.908065
  C      -8.525906     -5.854328     14.536622
  C      -7.533824     -5.741501     13.563058
  C      -5.875604     -7.628729     10.816894
  C      -4.887910     -7.486911      9.843661
  H       0.202935     -3.259273      1.809954
  H      -0.073067     -1.727153      0.953517
  H      -0.559877     -3.252714      0.194107
  H      -1.742060     -1.902153      2.693731
  H      -3.883705     -1.982875      1.437110
  H      -3.029080     -2.515668     -0.017968
  H      -1.767567     -0.389622     -0.117455
  H      -2.366614      0.072088      1.486742
  H      -4.869082      0.459317      1.804793
  H      -6.892973      1.445890      0.792634
  H      -6.328459      2.967072     -3.395500
  H      -8.366479      3.923785     -4.422658
  H     -10.611922      3.422961     -3.458628
  H     -10.789022      1.937510     -1.462281
  H      -8.752561      0.954742     -0.456199
  H      -5.134901      1.025985     -3.118583
  H      -3.100599      0.064425     -2.096693
  H      -7.915121     -2.848275      2.599483
  H      -6.525850     -1.794063      2.220238
  H      -7.755275     -1.276210      3.401172
  H      -5.713400     -1.975204      4.568705
  H      -7.914250     -4.070678      4.945529
  H      -7.976963     -2.432865      5.580219
  H      -6.166264     -2.810552      7.119842
  H      -5.573642     -4.194605      6.221453
  H      -7.532587     -6.154334      5.962890
  H      -8.782633     -7.682350      7.425432
  H      -8.650005     -9.128449      9.123142
  H      -9.919013    -10.682866     10.567665
  H     -11.419979     -9.795401     12.352600
  H     -11.628722     -7.331019     12.667762
  H     -10.387968     -5.777810     11.201222
  H      -8.366918     -4.902198     10.687161
  H      -7.148428     -3.353124      9.204894
  H      -0.293742     -4.804479      6.088003
  H      -0.462231     -4.728899      7.859445
  H      -0.794980     -6.248510      7.005835
  H      -2.338735     -3.606402      6.721571
  H      -3.314099     -4.194914      8.641140
  H      -4.283579     -5.217154      7.601263
  H      -1.896452     -6.123154      9.308039
  H      -2.812617     -7.201125      8.249698
  H      -3.209345     -4.842150     11.150970
  H      -4.956805     -5.085939     12.876070
  H      -7.094706     -9.040514     12.849554
  H      -8.863273     -9.242175     14.566491
  H      -9.782267     -7.202597     15.670059
  H      -8.930990     -4.953726     15.002825
  H      -7.179119     -4.752806     13.265014
  H      -6.639104     -8.399514     10.702277
  H      -4.878901     -8.162762      8.984360
  N      -3.231326     -2.357874      4.727118
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872436047724
  N      -2.354913     -3.842894      2.394433
  C      -2.383911     -4.966987      1.461548
  C      -2.732035     -6.271311      2.172448
  N      -3.888005     -6.088171      3.054666
  C      -5.168838     -5.913641      2.363335
  C      -6.109901     -5.050381      3.197580
  N      -5.439730     -3.847522      3.688281
  Mo     -3.478857     -3.879856      4.044911
  N      -2.885008     -5.130489      5.472810
  C      -2.885993     -6.576234      5.251118
  C      -3.929206     -6.984873      4.212897
  H      -3.123560     -7.110910      6.186140
  H      -1.882234     -6.929155      4.943788
  H      -4.927017     -6.889883      4.664795
  H      -3.791266     -8.045319      3.921904
  H      -6.979859     -4.792774      2.569309
  H      -6.512158     -5.649726      4.037963
  H      -4.962909     -5.397671      1.414939
  H      -5.645957     -6.884251      2.122226
  H      -1.400144     -5.105164      0.980317
  H      -3.101940     -4.781957      0.637294
  H      -1.881884     -6.567447      2.804044
  H      -2.896404     -7.079838      1.432525
  C      -0.485732     -2.715868      1.139699
  C      -1.846652     -2.577955      1.827446
  C      -2.908871     -1.934611      0.916983
  C      -2.633584     -0.462648      0.571709
  C      -3.843296      0.186060     -0.047850
  C      -4.930241      0.569166      0.753423
  C      -6.083275      1.111420      0.193243
  C      -6.196290      1.296389     -1.196695
  C      -7.421484      1.872230     -1.793118
  C      -7.353608      2.710997     -2.920077
  C      -8.508953      3.253400     -3.482174
  C      -9.760812      2.970256     -2.930183
  C      -9.844453      2.138853     -1.810279
  C      -8.688806      1.596445     -1.249027
  C      -5.105628      0.917568     -1.997247
  C      -3.953637      0.371891     -1.431657
  C      -7.163147     -2.170617      2.998239
  C      -6.353392     -2.781288      4.147403
  C      -7.271149     -3.264241      5.285970
  C      -6.497367     -3.705571      6.537747
  C      -7.264418     -4.625837      7.451484
  C      -7.729366     -5.868367      6.991570
  C      -8.439281     -6.730357      7.821343
  C      -8.713445     -6.391184      9.158035
  C      -9.466836     -7.310095     10.037658
  C      -9.363314     -8.704630      9.885428
  C     -10.082504     -9.573249     10.705654
  C     -10.922048     -9.067680     11.700542
  C     -11.029408     -7.685740     11.869299
  C     -10.311175     -6.818603     11.048485
  C      -8.237764     -5.155013      9.623987
  C      -7.528959     -4.293764      8.786808
  C      -0.865651     -5.154087      6.942831
  C      -2.319633     -4.704153      6.770276
  C      -3.236822     -5.071269      7.971766
  C      -2.872349     -6.284964      8.846197
  C      -3.906458     -6.479334      9.925202
  C      -3.946686     -5.629940     11.040888
  C      -4.942000     -5.754891     12.006049
  C      -5.937549     -6.741734     11.897136
  C      -7.003475     -6.861074     12.914902
  C      -7.523691     -8.115006     13.278453
  C      -8.515997     -8.224585     14.250673
  C      -9.015836     -7.082349     14.880785
  C      -8.518035     -5.827433     14.522242
  C      -7.523596     -5.718784     13.550524
  C      -5.887833     -7.601063     10.787894
  C      -4.895154     -7.465610      9.819069
  H       0.222949     -3.252611      1.786937
  H      -0.068204     -1.719843      0.936771
  H      -0.554104     -3.246168      0.177929
  H      -1.720957     -1.907720      2.691076
  H      -3.872473     -1.993124      1.448074
  H      -3.023120     -2.514076     -0.014780
  H      -1.773668     -0.380174     -0.110265
  H      -2.364760      0.068852      1.500453
  H      -4.864972      0.443600      1.837512
  H      -6.902096      1.422380      0.844856
  H      -6.379115      2.960084     -3.344004
  H      -8.430423      3.909224     -4.351374
  H     -10.664891      3.395195     -3.369366
  H     -10.817689      1.903986     -1.375195
  H      -8.768124      0.928845     -0.388968
  H      -5.171319      1.029442     -3.081268
  H      -3.123956      0.075681     -2.078770
  H      -7.886136     -2.881363      2.570784
  H      -6.496184     -1.827581      2.194644
  H      -7.733149     -1.304145      3.364584
  H      -5.698494     -1.994866      4.550578
  H      -7.897571     -4.093810      4.920460
  H      -7.969336     -2.453026      5.546575
  H      -6.164811     -2.819792      7.100435
  H      -5.571232     -4.212937      6.216516
  H      -7.541844     -6.163880      5.955866
  H      -8.808403     -7.676374      7.420506
  H      -8.694576     -9.113348      9.125675
  H      -9.979539    -10.651684     10.571686
  H     -11.483471     -9.745873     12.345312
  H     -11.676246     -7.278634     12.648179
  H     -10.419171     -5.740929     11.179760
  H      -8.395266     -4.877398     10.667637
  H      -7.161233     -3.343787      9.182777
  H      -0.264985     -4.805792      6.090534
  H      -0.439784     -4.723473      7.860930
  H      -0.767112     -6.246858      7.012283
  H      -2.314222     -3.608330      6.712258
  H      -3.285791     -4.193293      8.635618
  H      -4.260419     -5.207814      7.592562
  H      -1.883026     -6.129511      9.304963
  H      -2.800774     -7.201851      8.242148
  H      -3.178781     -4.860442     11.156333
  H      -4.935644     -5.093101     12.874291
  H      -7.130908     -9.015586     12.803594
  H      -8.902931     -9.209547     14.517430
  H      -9.793544     -7.169114     15.641570
  H      -8.910811     -4.926257     14.997258
  H      -7.154564     -4.732310     13.263305
  H      -6.664134     -8.357400     10.663189
  H      -4.894521     -8.132371      8.952789
  N      -3.217509     -2.366920      4.721221
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872459465431
  N      -2.340326     -3.841831      2.392729
  C      -2.367522     -4.964194      1.458281
  C      -2.710506     -6.270348      2.168201
  N      -3.865514     -6.091832      3.053019
  C      -5.148599     -5.921260      2.364382
  C      -6.090374     -5.061293      3.201358
  N      -5.422667     -3.856925      3.692027
  Mo     -3.461265     -3.883355      4.045003
  N      -2.862419     -5.134196      5.470911
  C      -2.858046     -6.579805      5.246502
  C      -3.901960     -6.990468      4.210105
  H      -3.091923     -7.116695      6.181061
  H      -1.853554     -6.927955      4.936468
  H      -4.899156     -6.898359      4.664152
  H      -3.762128     -8.050203      3.917561
  H      -6.961127     -4.803702      2.574076
  H      -6.490246     -5.661425      4.042320
  H      -4.946608     -5.405291      1.415224
  H      -5.623198     -6.893697      2.125457
  H      -1.383671     -5.099149      0.976140
  H      -3.086734     -4.779656      0.634888
  H      -1.858207     -6.564074      2.798018
  H      -2.874025     -7.078677      1.427962
  C      -0.480284     -2.705335      1.132166
  C      -1.837832     -2.573560      1.828281
  C      -2.905468     -1.929265      0.924253
  C      -2.635940     -0.455260      0.583052
  C      -3.849858      0.189767     -0.032418
  C      -4.936478      0.566509      0.772073
  C      -6.094092      1.102609      0.215377
  C      -6.212105      1.287713     -1.174104
  C      -7.442911      1.855282     -1.766965
  C      -7.384381      2.692953     -2.895269
  C      -8.545088      3.227182     -3.454068
  C      -9.793176      2.936834     -2.897345
  C      -9.867554      2.106495     -1.776007
  C      -8.706569      1.572242     -1.218047
  C      -5.121211      0.916287     -1.977783
  C      -3.964681      0.376664     -1.415654
  C      -7.144277     -2.182039      2.993395
  C      -6.338583     -2.790448      4.146527
  C      -7.260796     -3.272224      5.281436
  C      -6.492947     -3.713057      6.536610
  C      -7.268247     -4.626853      7.449882
  C      -7.739729     -5.867356      6.990895
  C      -8.457779     -6.723312      7.819912
  C      -8.733825     -6.379264      9.155208
  C      -9.496815     -7.291176     10.034089
  C      -9.403526     -8.686866      9.884747
  C     -10.132633     -9.548522     10.703737
  C     -10.971956     -9.034793     11.694512
  C     -11.068969     -7.651487     11.860689
  C     -10.340903     -6.791310     11.041134
  C      -8.251138     -5.145578      9.620425
  C      -7.533958     -4.290437      8.783922
  C      -0.843660     -5.157353      6.942943
  C      -2.297194     -4.707109      6.768322
  C      -3.214568     -5.072022      7.969603
  C      -2.859847     -6.293529      8.837726
  C      -3.896753     -6.485024      9.914470
  C      -3.925041     -5.648037     11.039712
  C      -4.923322     -5.768454     12.002581
  C      -5.933676     -6.738672     11.881768
  C      -7.002526     -6.853720     12.896801
  C      -7.542541     -8.103753     13.245039
  C      -8.537837     -8.209306     14.214557
  C      -9.020814     -7.067167     14.857475
  C      -8.502828     -5.816051     14.514642
  C      -7.505435     -5.711391     13.545498
  C      -5.895986     -7.585874     10.762547
  C      -4.900691     -7.454524      9.796098
  H       0.234809     -3.240649      1.773698
  H      -0.068009     -1.707086      0.929082
  H      -0.552002     -3.233765      0.169535
  H      -1.708753     -1.905994      2.693451
  H      -3.866889     -1.992637      1.458819
  H      -3.021183     -2.506106     -0.009045
  H      -1.778055     -0.367306     -0.100730
  H      -2.367070      0.074635      1.512657
  H      -4.867660      0.440426      1.855856
  H      -6.912803      1.408244      0.869604
  H      -6.413007      2.947702     -3.322917
  H      -8.473825      3.882319     -4.324409
  H     -10.701423      3.355378     -3.334048
  H     -10.837762      1.866012     -1.337234
  H      -8.778738      0.905296     -0.356861
  H      -5.190194      1.028686     -3.061523
  H      -3.135036      0.086077     -2.065316
  H      -7.869709     -2.891521      2.567919
  H      -6.475279     -1.844916      2.189019
  H      -7.711075     -1.311494      3.354831
  H      -5.684720     -2.003521      4.550163
  H      -7.887057     -4.101184      4.914506
  H      -7.958995     -2.459867      5.538275
  H      -6.158110     -2.827693      7.098521
  H      -5.568106     -4.225034      6.219469
  H      -7.550248     -6.166621      5.956543
  H      -8.831928     -7.667584      7.419465
  H      -8.735211     -9.102443      9.128245
  H     -10.037335    -10.628061     10.571876
  H     -11.541697     -9.707528     12.337798
  H     -11.715732     -7.237728     12.636198
  H     -10.440677     -5.712499     11.170382
  H      -8.410284     -4.864743     10.662992
  H      -7.161323     -3.342222      9.179376
  H      -0.241512     -4.809743      6.091399
  H      -0.418958     -4.726580      7.861574
  H      -0.745732     -6.250175      7.013027
  H      -2.291817     -3.611311      6.708998
  H      -3.252788     -4.197526      8.638889
  H      -4.240100     -5.195905      7.591394
  H      -1.869886     -6.147702      9.298174
  H      -2.794519     -7.208059      8.229464
  H      -3.145884     -4.891355     11.164313
  H      -4.907697     -5.116251     12.877918
  H      -7.162879     -9.004876     12.760849
  H      -8.940217     -9.191303     14.469288
  H      -9.801033     -7.150763     15.615902
  H      -8.882166     -4.914659     14.999787
  H      -7.120724     -4.727283     13.270993
  H      -6.683696     -8.328598     10.628171
  H      -4.909687     -8.110808      8.921901
  N      -3.203851     -2.370889      4.723347
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872480716803
  N      -2.336793     -3.841400      2.392251
  C      -2.362702     -4.964062      1.458172
  C      -2.702833     -6.269795      2.170197
  N      -3.857128     -6.091879      3.056215
  C      -5.141372     -5.924816      2.368622
  C      -6.084081     -5.065736      3.205234
  N      -5.417450     -3.860489      3.696085
  Mo     -3.455846     -3.882339      4.045542
  N      -2.856405     -5.130790      5.473865
  C      -2.847505     -6.576685      5.249422
  C      -3.891174     -6.989950      4.213982
  H      -3.079561     -7.114539      6.183675
  H      -1.842053     -6.921683      4.938967
  H      -4.888189     -6.899094      4.668839
  H      -3.750270     -8.049735      3.922002
  H      -6.953957     -4.807637      2.577162
  H      -6.484126     -5.665239      4.046565
  H      -4.941466     -5.410667      1.418095
  H      -5.614331     -6.898797      2.132607
  H      -1.378728     -5.098125      0.976024
  H      -3.082096     -4.781367      0.634574
  H      -1.849280     -6.560983      2.799444
  H      -2.866387     -7.079517      1.431509
  C      -0.480729     -2.702929      1.126977
  C      -1.836116     -2.572095      1.827973
  C      -2.905940     -1.926726      0.927025
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  C      -3.851238      0.191639     -0.029184
  C      -4.937664      0.568700      0.775080
  C      -6.096073      1.102550      0.217963
  C      -6.215131      1.284973     -1.171770
  C      -7.447369      1.848763     -1.765133
  C      -7.391542      2.682969     -2.896022
  C      -8.553831      3.213127     -3.455227
  C      -9.800908      2.922061     -2.896381
  C      -9.872655      2.095210     -1.772450
  C      -8.710054      1.565025     -1.214074
  C      -5.123999      0.913903     -1.975221
  C      -3.966674      0.376487     -1.412662
  C      -7.138573     -2.188391      2.987978
  C      -6.335106     -2.792894      4.144830
  C      -7.260555     -3.271636      5.278271
  C      -6.495874     -3.712873      6.535273
  C      -7.274135     -4.623578      7.449046
  C      -7.752056     -5.861670      6.990041
  C      -8.473347     -6.714692      7.819270
  C      -8.745920     -6.369658      9.155225
  C      -9.514227     -7.277291     10.034080
  C      -9.430499     -8.673703      9.884539
  C     -10.165545     -9.530617     10.703372
  C     -11.001411     -9.011398     11.694125
  C     -11.088835     -7.627259     11.860589
  C     -10.355003     -6.771836     11.041241
  C      -8.255753     -5.138949      9.620955
  C      -7.535535     -4.286594      8.783999
  C      -0.836352     -5.143508      6.945361
  C      -2.291558     -4.699338      6.770033
  C      -3.205616     -5.063717      7.973386
  C      -2.855499     -6.292469      8.833321
  C      -3.891825     -6.486895      9.909776
  C      -3.913186     -5.660370     11.042657
  C      -4.910705     -5.783915     12.006046
  C      -5.926693     -6.747383     11.878350
  C      -6.994207     -6.866866     12.894314
  C      -7.538952     -8.117471     13.232914
  C      -8.533851     -8.227069     14.202451
  C      -9.011466     -7.088780     14.855422
  C      -8.487882     -5.837287     14.523086
  C      -7.491010     -5.728459     13.553763
  C      -5.896049     -7.584173     10.751003
  C      -4.901972     -7.449244      9.784036
  H       0.237822     -3.236875      1.765823
  H      -0.070755     -1.704065      0.922039
  H      -0.554809     -3.231748      0.164802
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  H      -3.023778     -2.502895     -0.006417
  H      -1.779250     -0.363675     -0.097314
  H      -2.368438      0.077384      1.516126
  H      -4.868168      0.444786      1.859041
  H      -6.914580      1.408494      0.872292
  H      -6.421057      2.938371     -3.325437
  H      -8.484672      3.865633     -4.327632
  H     -10.710380      3.337357     -3.333548
  H     -10.842017      1.854246     -1.331901
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  H      -5.193223      1.024506     -3.059119
  H      -3.136916      0.086245     -2.062278
  H      -7.870448     -2.895623      2.569523
  H      -6.468974     -1.862434      2.179411
  H      -7.698246     -1.310600      3.343250
  H      -5.682259     -2.004484      4.547121
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  H      -6.158611     -2.827978      7.096562
  H      -5.572183     -4.227392      6.218541
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  H      -8.852521     -7.656884      7.418427
  H      -8.764904     -9.093895      9.128146
  H     -10.077526    -10.610868     10.571331
  H     -11.575863     -9.680540     12.337028
  H     -11.733268     -7.208881     12.635568
  H     -10.447204     -5.692263     11.170563
  H      -8.411901     -4.858395     10.664120
  H      -7.156946     -3.340852      9.179854
  H      -0.234696     -4.793381      6.094508
  H      -0.414153     -4.711583      7.864645
  H      -0.734454     -6.235957      7.015059
  H      -2.290957     -3.603658      6.708409
  H      -3.232164     -4.193438      8.648908
  H      -4.234039     -5.175670      7.599247
  H      -1.864379     -6.152993      9.293156
  H      -2.794241     -7.204008      8.220337
  H      -3.129422     -4.909403     11.173274
  H      -4.889276     -5.139832     12.887211
  H      -7.163075     -9.016182     12.741606
  H      -8.939904     -9.209430     14.449431
  H      -9.791604     -7.175466     15.613606
  H      -8.862565     -4.938649     15.016584
  H      -7.102545     -4.743639     13.287583
  H      -6.687482     -8.321937     10.611070
  H      -4.916590     -8.096949      8.903613
  N      -3.200809     -2.368150      4.721231
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872497566407
  N      -2.319298     -3.837955      2.389579
  C      -2.345769     -4.957936      1.451948
  C      -2.677220     -6.266673      2.162603
  N      -3.827148     -6.094951      3.055609
  C      -5.116281     -5.932679      2.375778
  C      -6.057905     -5.078955      3.219166
  N      -5.392994     -3.871492      3.708295
  Mo     -3.430561     -3.886204      4.047899
  N      -2.820596     -5.134947      5.472623
  C      -2.804595     -6.580325      5.243068
  C      -3.850977     -6.995728      4.211524
  H      -3.029179     -7.123452      6.175928
  H      -1.798601     -6.918399      4.926849
  H      -4.846079     -6.910983      4.671724
  H      -3.706820     -8.054206      3.916212
  H      -6.932145     -4.822652      2.596598
  H      -6.450489     -5.680949      4.062244
  H      -4.924165     -5.416802      1.424628
  H      -5.586287     -6.908639      2.141733
  H      -1.363904     -5.086955      0.964265
  H      -3.069916     -4.775900      0.632423
  H      -1.819052     -6.556515      2.786168
  H      -2.842671     -7.075112      1.422905
  C      -0.474653     -2.688575      1.116660
  C      -1.826424     -2.564854      1.826072
  C      -2.904061     -1.921734      0.932756
  C      -2.642765     -0.446230      0.592204
  C      -3.862897      0.192670     -0.017231
  C      -4.946468      0.566169      0.792427
  C      -6.110410      1.093847      0.240939
  C      -6.238301      1.273333     -1.148365
  C      -7.476874      1.829363     -1.735750
  C      -7.432417      2.660781     -2.869208
  C      -8.600980      3.182877     -3.422865
  C      -9.843146      2.886406     -2.855770
  C      -9.903653      2.062380     -1.729108
  C      -8.734732      1.540190     -1.176347
  C      -5.149859      0.906242     -1.957254
  C      -3.986900      0.375045     -1.400352
  C      -7.111728     -2.200678      2.991945
  C      -6.313385     -2.804327      4.152797
  C      -7.244239     -3.283039      5.281620
  C      -6.485215     -3.726156      6.541355
  C      -7.270743     -4.629661      7.455987
  C      -7.752159     -5.867574      7.000409
  C      -8.485017     -6.711516      7.828812
  C      -8.766053     -6.356872      9.160527
  C      -9.549314     -7.253723     10.037345
  C      -9.476008     -8.651688      9.896164
  C     -10.227510     -9.497963     10.711254
  C     -11.069982     -8.966311     11.689780
  C     -11.146845     -7.580428     11.848294
  C     -10.396562     -6.735656     11.032887
  C      -8.270737     -5.127216      9.623704
  C      -7.538893     -4.284009      8.787587
  C      -0.801593     -5.152389      6.946378
  C      -2.254735     -4.703299      6.768049
  C      -3.170180     -5.060954      7.972054
  C      -2.837532     -6.300722      8.823340
  C      -3.880747     -6.492035      9.893480
  C      -3.890890     -5.682682     11.038687
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  C      -7.570640     -8.104296     13.178701
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  C      -8.478901     -5.826845     14.502307
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  C      -5.908523     -7.564371     10.710512
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  H       0.250198     -3.221071      1.749654
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  H      -3.025883     -2.497201     -0.000654
  H      -1.788875     -0.353295     -0.095823
  H      -2.371912      0.084272      1.520794
  H      -4.870543      0.444306      1.876173
  H      -6.926479      1.396962      0.899605
  H      -6.465953      2.920402     -3.305213
  H      -8.540614      3.833259     -4.297563
  H     -10.757545      3.295307     -3.288692
  H     -10.869016      1.817311     -1.281986
  H      -8.796198      0.877708     -0.310896
  H      -5.225343      1.014762     -3.040932
  H      -3.159555      0.087782     -2.054304
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  H      -7.667974     -1.318856      3.342608
  H      -5.663019     -2.015196      4.557618
  H      -7.872119     -4.109233      4.910940
  H      -7.941097     -2.467710      5.534074
  H      -6.144107     -2.841644      7.100903
  H      -5.563606     -4.245682      6.227035
  H      -7.558708     -6.174741      5.968916
  H      -8.866762     -7.653608      7.430249
  H      -8.806090     -9.081726      9.149025
  H     -10.147605    -10.579719     10.585743
  H     -11.657486     -9.627256     12.329344
  H     -11.796959     -7.152121     12.613162
  H     -10.480956     -5.654510     11.155055
  H      -8.432567     -4.840554     10.664333
  H      -7.157077     -3.338798      9.181537
  H      -0.196391     -4.805282      6.096808
  H      -0.380159     -4.721448      7.866545
  H      -0.704185     -6.245209      7.017182
  H      -2.250978     -3.607670      6.704944
  H      -3.179564     -4.195490      8.654456
  H      -4.201186     -5.152538      7.599691
  H      -1.846877     -6.175494      9.288213
  H      -2.783819     -7.208534      8.204282
  H      -3.093702     -4.948752     11.183909
  H      -4.863738     -5.172102     12.887422
  H      -7.210631     -9.002560     12.674710
  H      -8.996438     -9.187873     14.373573
  H      -9.812039     -7.156385     15.567679
  H      -8.837300     -4.928956     15.009217
  H      -7.069157     -4.740664     13.288131
  H      -6.712238     -8.285900     10.556439
  H      -4.932303     -8.066452      8.858539
  N      -3.177790     -2.371570      4.723501
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872516997417
  N      -2.326287     -3.832047      2.393006
  C      -2.355916     -4.951234      1.453783
  C      -2.688169     -6.260104      2.163909
  N      -3.835208     -6.086627      3.060074
  C      -5.126001     -5.921728      2.383845
  C      -6.064801     -5.067891      3.230414
  N      -5.396565     -3.862290      3.720573
  Mo     -3.433925     -3.879952      4.053721
  N      -2.824335     -5.130809      5.478468
  C      -2.808542     -6.575681      5.245543
  C      -3.857191     -6.988488      4.215193
  H      -3.031186     -7.122215      6.176842
  H      -1.803055     -6.913048      4.926805
  H      -4.851350     -6.904498      4.677690
  H      -3.714203     -8.046662      3.918035
  H      -6.940144     -4.809164      2.610460
  H      -6.456367     -5.670716      4.073372
  H      -4.935434     -5.404725      1.432966
  H      -5.597824     -6.896728      2.149072
  H      -1.375475     -5.080855      0.963622
  H      -3.081446     -4.767626      0.635919
  H      -1.829066     -6.552918      2.784835
  H      -2.857730     -7.067357      1.423765
  C      -0.478494     -2.685429      1.122054
  C      -1.831611     -2.559611      1.828262
  C      -2.907834     -1.918052      0.932622
  C      -2.644829     -0.443885      0.588064
  C      -3.862655      0.194048     -0.026802
  C      -4.948070      0.572121      0.778408
  C      -6.109949      1.099022      0.221672
  C      -6.233961      1.273022     -1.168691
  C      -7.470314      1.828018     -1.761730
  C      -7.422082      2.655300     -2.898060
  C      -8.588844      3.175742     -3.457179
  C      -9.832842      2.881749     -2.892844
  C      -9.897137      2.061968     -1.763314
  C      -8.729966      1.541422     -1.205110
  C      -5.143772      0.901176     -1.973176
  C      -3.982884      0.370781     -1.411085
  C      -7.112615     -2.186721      3.006720
  C      -6.314692     -2.793845      4.165961
  C      -7.246345     -3.271654      5.294735
  C      -6.486457     -3.723250      6.550902
  C      -7.271621     -4.628228      7.463940
  C      -7.759109     -5.861791      7.004088
  C      -8.493480     -6.706357      7.830483
  C      -8.769340     -6.357162      9.164518
  C      -9.554322     -7.254579     10.039396
  C      -9.488951     -8.652224      9.891456
  C     -10.242354     -9.498329     10.705346
  C     -11.078961     -8.966856     11.689452
  C     -11.147850     -7.581417     11.854665
  C     -10.395770     -6.736820     11.040427
  C      -8.267015     -5.132131      9.632283
  C      -7.534503     -4.287937      8.797902
  C      -0.801350     -5.147970      6.947041
  C      -2.254914     -4.699050      6.772029
  C      -3.165756     -5.055418      7.979964
  C      -2.837132     -6.302461      8.822257
  C      -3.877156     -6.497179      9.894841
  C      -3.884723     -5.691753     11.042867
  C      -4.885576     -5.815801     12.002998
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  C      -7.558050     -8.124077     13.182977
  C      -8.558520     -8.233372     14.146827
  C      -9.017245     -7.098789     14.819540
  C      -8.468790     -5.851372     14.512662
  C      -7.467038     -5.742642     13.548295
  C      -5.900601     -7.575702     10.714734
  C      -4.903678     -7.439585      9.750912
  H       0.244145     -3.218243      1.757248
  H      -0.072418     -1.684902      0.917414
  H      -0.554017     -3.212656      0.159108
  H      -1.698875     -1.893763      2.694055
  H      -3.864746     -1.983272      1.474923
  H      -3.030320     -2.495656      0.000630
  H      -1.788884     -0.353882     -0.097892
  H      -2.376164      0.089536      1.515677
  H      -4.875375      0.454489      1.862865
  H      -6.927376      1.405849      0.877041
  H      -6.454241      2.912925     -3.332138
  H      -8.525521      3.822787     -4.334162
  H     -10.745879      3.289225     -3.330089
  H     -10.863878      1.818907     -1.318194
  H      -8.794296      0.882089     -0.337442
  H      -5.216094      1.005181     -3.057524
  H      -3.154271      0.079541     -2.061745
  H      -7.854382     -2.886911      2.593228
  H      -6.440013     -1.873234      2.195559
  H      -7.661311     -1.300467      3.357764
  H      -5.663177     -2.006098      4.571651
  H      -7.878906     -4.093415      4.922045
  H      -7.938774     -2.454005      5.551450
  H      -6.140239     -2.842087      7.112525
  H      -5.567659     -4.243697      6.230202
  H      -7.569854     -6.164528      5.970631
  H      -8.879822     -7.644837      7.428526
  H      -8.823369     -9.082035      9.140129
  H     -10.168969    -10.579894     10.574727
  H     -11.667445     -9.627920     12.328197
  H     -11.793466     -7.153263     12.623648
  H     -10.474061     -5.655803     11.167397
  H      -8.423941     -4.850846     10.675046
  H      -7.146997     -3.346660      9.195304
  H      -0.197065     -4.798624      6.097730
  H      -0.379051     -4.719503      7.868038
  H      -0.703908     -6.241024      7.014851
  H      -2.252010     -3.603328      6.709368
  H      -3.162237     -4.194063      8.667809
  H      -4.200069     -5.134668      7.613822
  H      -1.844314     -6.183847      9.284349
  H      -2.788983     -7.207152      8.198261
  H      -3.087991     -4.957473     11.188710
  H      -4.853146     -5.188304     12.895738
  H      -7.197030     -9.020519     12.676302
  H      -8.984052     -9.212435     14.373386
  H      -9.801978     -7.185064     15.573053
  H      -8.827933     -4.955225     15.022289
  H      -7.060094     -4.760164     13.301476
  H      -6.702258     -8.299532     10.561271
  H      -4.929431     -8.070186      8.858336
  N      -3.175883     -2.365410      4.727947
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872539745722
  N      -2.325270     -3.829496      2.393448
  C      -2.354178     -4.948387      1.453404
  C      -2.683029     -6.258657      2.162610
  N      -3.828323     -6.087667      3.061061
  C      -5.120563     -5.925256      2.387701
  C      -6.059791     -5.073998      3.236149
  N      -5.393455     -3.866884      3.725106
  Mo     -3.430418     -3.880652      4.055801
  N      -2.816628     -5.130711      5.480413
  C      -2.796339     -6.574865      5.244987
  C      -3.845630     -6.989689      4.215964
  H      -3.014566     -7.125383      6.174950
  H      -1.790282     -6.908071      4.923261
  H      -4.839481     -6.909724      4.679795
  H      -3.699319     -8.047214      3.917903
  H      -6.937746     -4.818450      2.618652
  H      -6.447909     -5.678286      4.079729
  H      -4.932911     -5.406522      1.437088
  H      -5.590456     -6.900933      2.152020
  H      -1.374597     -5.075188      0.960897
  H      -3.081806     -4.765663      0.637214
  H      -1.822485     -6.551734      2.781419
  H      -2.852857     -7.065163      1.421620
  C      -0.478028     -2.681082      1.123956
  C      -1.832414     -2.556661      1.827168
  C      -2.909380     -1.918371      0.930880
  C      -2.647772     -0.444577      0.583740
  C      -3.866088      0.192451     -0.030739
  C      -4.949994      0.573469      0.775297
  C      -6.111818      1.101250      0.219311
  C      -6.237347      1.273260     -1.171183
  C      -7.472998      1.830656     -1.763320
  C      -7.423982      2.657149     -2.900144
  C      -8.590121      3.180145     -3.458193
  C      -9.834163      2.889556     -2.892280
  C      -9.899251      2.070559     -1.762243
  C      -8.732677      1.547457     -1.205138
  C      -5.149023      0.897781     -1.976595
  C      -3.988212      0.366480     -1.415288
  C      -7.109794     -2.194026      3.006005
  C      -6.314005     -2.799768      4.167709
  C      -7.248041     -3.278183      5.294447
  C      -6.489281     -3.730615      6.551169
  C      -7.275575     -4.632701      7.465738
  C      -7.761464     -5.868101      7.009062
  C      -8.497566     -6.709759      7.836926
  C      -8.776877     -6.356097      9.168908
  C      -9.563625     -7.250512     10.045062
  C      -9.498739     -8.648685      9.901766
  C     -10.254336     -9.491777     10.716582
  C     -11.092716     -8.956785     11.697231
  C     -11.161027     -7.570885     11.857929
  C     -10.406883     -6.729269     11.042552
  C      -8.276375     -5.128706      9.633409
  C      -7.542555     -4.287357      8.797649
  C      -0.792749     -5.145851      6.948195
  C      -2.246227     -4.696881      6.772636
  C      -3.155750     -5.049190      7.982588
  C      -2.835998     -6.302664      8.818631
  C      -3.876770     -6.496949      9.890563
  C      -3.882489     -5.694589     11.040687
  C      -4.883497     -5.819571     12.000551
  C      -5.917092     -6.760894     11.852345
  C      -6.988162     -6.881094     12.864920
  C      -7.557102     -8.127773     13.176290
  C      -8.557165     -8.239063     14.140362
  C      -9.015518     -7.105800     14.815558
  C      -8.467091     -5.858002     14.511008
  C      -7.465605     -5.747280     13.546549
  C      -5.902089     -7.574140     10.707800
  C      -4.905145     -7.436895      9.744044
  H       0.242916     -3.214311      1.760529
  H      -0.071470     -1.680548      0.920910
  H      -0.551579     -3.207518      0.160511
  H      -1.702799     -1.889992      2.692814
  H      -3.866065     -1.983274      1.473710
  H      -3.032463     -2.497239     -0.000165
  H      -1.792081     -0.355300     -0.102721
  H      -2.378845      0.090238      1.510508
  H      -4.876043      0.457657      1.859898
  H      -6.927859      1.410549      0.875285
  H      -6.456021      2.912156     -3.335465
  H      -8.526113      3.826545     -4.335564
  H     -10.746764      3.299012     -3.328570
  H     -10.866012      1.830137     -1.315825
  H      -8.797558      0.888856     -0.336997
  H      -5.222685      0.999973     -3.061057
  H      -3.161057      0.072429     -2.066602
  H      -7.850441     -2.895062      2.591736
  H      -6.435066     -1.881540      2.196317
  H      -7.659786     -1.307694      3.355096
  H      -5.665566     -2.010571      4.575783
  H      -7.879415     -4.100024      4.919562
  H      -7.941134     -2.460997      5.551022
  H      -6.140923     -2.848902      7.110723
  H      -5.571902     -4.253115      6.229390
  H      -7.569719     -6.174068      5.977002
  H      -8.882645     -7.649943      7.437421
  H      -8.831684     -9.081087      9.153426
  H     -10.181725    -10.573871     10.589706
  H     -11.682405     -9.615690     12.336970
  H     -11.807785     -7.140221     12.624381
  H     -10.485047     -5.647787     11.165535
  H      -8.435890     -4.843728     10.674812
  H      -7.156795     -3.344039      9.192385
  H      -0.187473     -4.796539      6.099618
  H      -0.371277     -4.717894      7.869740
  H      -0.695595     -6.238923      7.015776
  H      -2.243380     -3.601207      6.708587
  H      -3.140650     -4.190523      8.673713
  H      -4.192109     -5.115868      7.619957
  H      -1.842406     -6.192080      9.281181
  H      -2.793374     -7.204783      8.190718
  H      -3.083942     -4.962718     11.188565
  H      -4.849667     -5.194994     12.895250
  H      -7.196082     -9.022873     12.667409
  H      -8.983035     -9.218275     14.364773
  H      -9.799917     -7.193605     15.569306
  H      -8.825900     -4.962933     15.022731
  H      -7.058577     -4.764596     13.301133
  H      -6.704827     -8.296427     10.552893
  H      -4.932695     -8.064720      8.849606
  N      -3.174491     -2.364332      4.727154
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872585669839
  N      -2.315842     -3.821255      2.394684
  C      -2.343084     -4.936480      1.449684
  C      -2.661342     -6.252708      2.152578
  N      -3.801572     -6.092242      3.058819
  C      -5.098874     -5.935972      2.394652
  C      -6.038363     -5.093703      3.251738
  N      -5.377826     -3.882641      3.737921
  Mo     -3.413382     -3.886320      4.061806
  N      -2.784906     -5.137962      5.480692
  C      -2.751938     -6.579647      5.234698
  C      -3.804582     -6.998334      4.210566
  H      -2.955789     -7.142187      6.160625
  H      -1.745186     -6.899886      4.901579
  H      -4.796732     -6.930044      4.679695
  H      -3.649683     -8.053189      3.907203
  H      -6.924084     -4.845735      2.642195
  H      -6.415647     -5.702980      4.096877
  H      -4.920688     -5.410940      1.445507
  H      -5.563451     -6.913458      2.155973
  H      -1.365813     -5.054022      0.950431
  H      -3.076840     -4.753696      0.638946
  H      -1.796100     -6.547190      2.764161
  H      -2.831824     -7.055055      1.407190
  C      -0.473598     -2.660871      1.130202
  C      -1.830417     -2.544938      1.828772
  C      -2.910803     -1.913893      0.932840
  C      -2.656389     -0.439195      0.583839
  C      -3.878208      0.193315     -0.027895
  C      -4.959815      0.574796      0.781325
  C      -6.124146      1.100607      0.228662
  C      -6.254586      1.270216     -1.161674
  C      -7.491886      1.827911     -1.750161
  C      -7.445875      2.654106     -2.887395
  C      -8.613419      3.178265     -3.441626
  C      -9.855662      2.889173     -2.871392
  C      -9.917755      2.070301     -1.740954
  C      -8.749804      1.546049     -1.187701
  C      -5.169158      0.893167     -1.970424
  C      -4.005899      0.363795     -1.412457
  C      -7.091897     -2.212782      3.009003
  C      -6.303546     -2.819069      4.175799
  C      -7.244571     -3.301354      5.295237
  C      -6.490522     -3.758699      6.552909
  C      -7.285604     -4.651045      7.468528
  C      -7.770879     -5.888805      7.017859
  C      -8.516510     -6.720940      7.846822
  C      -8.806542     -6.355719      9.173110
  C      -9.600628     -7.241597     10.050988
  C      -9.538585     -8.640982      9.918329
  C     -10.301180     -9.476068     10.734614
  C     -11.143747     -8.931959     11.706750
  C     -11.209009     -7.544901     11.857230
  C     -10.448197     -6.711178     11.039768
  C      -8.307831     -5.124852      9.630969
  C      -7.564976     -4.293007      8.794340
  C      -0.759687     -5.158620      6.947808
  C      -2.210791     -4.702833      6.770621
  C      -3.119146     -5.042897      7.984423
  C      -2.828077     -6.314229      8.804013
  C      -3.871591     -6.501023      9.874870
  C      -3.865955     -5.707854     11.031391
  C      -4.868671     -5.826865     11.990303
  C      -5.914502     -6.753308     11.834809
  C      -6.987209     -6.867111     12.846601
  C      -7.570795     -8.108969     13.149019
  C      -8.572518     -8.215304     14.111851
  C      -9.018203     -7.081040     14.794165
  C      -8.455579     -5.837703     14.498122
  C      -7.452148     -5.731996     13.535113
  C      -5.911216     -7.557130     10.683823
  C      -4.912734     -7.425327      9.720660
  H       0.245515     -3.195461      1.767444
  H      -0.068365     -1.658632      0.933556
  H      -0.542442     -3.182696      0.163910
  H      -1.708373     -1.878521      2.695786
  H      -3.866770     -1.982315      1.476677
  H      -3.033287     -2.493582      0.002296
  H      -1.801921     -0.347209     -0.103869
  H      -2.388079      0.097085      1.509998
  H      -4.882050      0.460953      1.865888
  H      -6.938226      1.410340      0.886872
  H      -6.479176      2.907915     -3.326056
  H      -8.551624      3.824481     -4.319312
  H     -10.769446      3.299538     -3.304403
  H     -10.883121      1.830900     -1.291178
  H      -8.812144      0.887791     -0.319097
  H      -5.247041      0.993031     -3.054830
  H      -3.181071      0.068304     -2.066146
  H      -7.826042     -2.915907      2.586791
  H      -6.410540     -1.896389      2.206656
  H      -7.648423     -1.329746      3.355932
  H      -5.661349     -2.028611      4.591552
  H      -7.872885     -4.122513      4.913544
  H      -7.938994     -2.485587      5.552002
  H      -6.134657     -2.877853      7.109176
  H      -5.578297     -4.288867      6.229420
  H      -7.570738     -6.203159      5.989957
  H      -8.900669     -7.663576      7.452198
  H      -8.867955     -9.080359      9.177399
  H     -10.231564    -10.559300     10.616239
  H     -11.738486     -9.584979     12.347799
  H     -11.858498     -7.107628     12.617540
  H     -10.524522     -5.628659     11.154070
  H      -8.475880     -4.830148     10.668276
  H      -7.181242     -3.346651      9.183690
  H      -0.150656     -4.812957      6.100450
  H      -0.338017     -4.732765      7.870145
  H      -0.667992     -6.252123      7.016019
  H      -2.203020     -3.607235      6.703883
  H      -3.072794     -4.192103      8.684059
  H      -4.159783     -5.074326      7.629485
  H      -1.832042     -6.230448      9.267255
  H      -2.805289     -7.209136      8.165285
  H      -3.056988     -4.988716     11.184601
  H      -4.826942     -5.210134     12.890084
  H      -7.219078     -9.004236     12.634003
  H      -9.010327     -9.190695     14.329124
  H      -9.803813     -7.164930     15.547098
  H      -8.804561     -4.941971     15.015552
  H      -7.033303     -4.752870     13.295611
  H      -6.723989     -8.266953     10.523960
  H      -4.949948     -8.044703      8.820726
  N      -3.163518     -2.368875      4.732730
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872656373367
  N      -2.303211     -3.811921      2.393557
  C      -2.325815     -4.920674      1.440671
  C      -2.623529     -6.246705      2.133692
  N      -3.756049     -6.106243      3.052355
  C      -5.061612     -5.964385      2.402223
  C      -6.003323     -5.137817      3.271855
  N      -5.355770     -3.918301      3.752618
  Mo     -3.389060     -3.900539      4.067233
  N      -2.734557     -5.151896      5.476537
  C      -2.676069     -6.589318      5.213707
  C      -3.733741     -7.018426      4.199119
  H      -2.853112     -7.169933      6.133694
  H      -1.668209     -6.884518      4.860707
  H      -4.722592     -6.969609      4.677392
  H      -3.563586     -8.068703      3.888013
  H      -6.900498     -4.903892      2.673458
  H      -6.362631     -5.754210      4.120036
  H      -4.900049     -5.431035      1.454565
  H      -5.515213     -6.946447      2.161415
  H      -1.351813     -5.021819      0.931548
  H      -3.069322     -4.739210      0.638471
  H      -1.749758     -6.539879      2.733655
  H      -2.793082     -7.043175      1.381838
  C      -0.469266     -2.630272      1.138776
  C      -1.829308     -2.529178      1.832148
  C      -2.914043     -1.905663      0.937600
  C      -2.669773     -0.428385      0.591711
  C      -3.896336      0.199401     -0.014913
  C      -4.975578      0.577310      0.799370
  C      -6.143323      1.101489      0.252442
  C      -6.279566      1.273021     -1.137098
  C      -7.519305      1.832023     -1.719279
  C      -7.477395      2.661099     -2.854524
  C      -8.646796      3.188079     -3.402281
  C      -9.886637      2.898988     -2.827376
  C      -9.944612      2.076944     -1.698983
  C      -8.774902      1.549874     -1.152219
  C      -5.197156      0.898148     -1.951073
  C      -4.030554      0.370409     -1.398807
  C      -7.070507     -2.258326      3.006751
  C      -6.292578     -2.862169      4.182206
  C      -7.243052     -3.352732      5.289976
  C      -6.495409     -3.813793      6.550000
  C      -7.304351     -4.689862      7.468106
  C      -7.785580     -5.933876      7.029873
  C      -8.545060     -6.750648      7.861481
  C      -8.854474     -6.363363      9.177051
  C      -9.659043     -7.234889     10.059340
  C      -9.595494     -8.636341      9.949868
  C     -10.366833     -9.458334     10.770740
  C     -11.219393     -8.899134     11.725275
  C     -11.286070     -7.509883     11.853076
  C     -10.517193     -6.689129     11.029978
  C      -8.362188     -5.124570      9.621240
  C      -7.605255     -4.308417      8.782382
  C      -0.709123     -5.177214      6.945234
  C      -2.157083     -4.713511      6.763867
  C      -3.064531     -5.035821      7.982112
  C      -2.818104     -6.331918      8.777334
  C      -3.864325     -6.503957      9.848356
  C      -3.839399     -5.722402     11.012552
  C      -4.843621     -5.828029     11.971433
  C      -5.909713     -6.729685     11.808225
  C      -6.984932     -6.828613     12.818898
  C      -7.593430     -8.060670     13.111525
  C      -8.599344     -8.153743     14.071168
  C      -9.024573     -7.015051     14.759321
  C      -8.437049     -5.781147     14.473070
  C      -7.429061     -5.688818     13.513501
  C      -5.925721     -7.522289     10.649857
  C      -4.925748     -7.403302      9.686433
  H       0.248593     -3.167321      1.775107
  H      -0.067353     -1.624717      0.953193
  H      -0.531395     -3.143485      0.167433
  H      -1.717472     -1.865310      2.702514
  H      -3.869453     -1.981898      1.481445
  H      -3.033442     -2.483592      0.005710
  H      -1.816805     -0.329716     -0.097009
  H      -2.402979      0.106625      1.519062
  H      -4.893129      0.462173      1.883465
  H      -6.955420      1.408726      0.914259
  H      -6.512369      2.914908     -3.296655
  H      -8.588057      3.836659     -4.278363
  H     -10.801937      3.311674     -3.254922
  H     -10.908182      1.837312     -1.245701
  H      -8.833838      0.889507     -0.285074
  H      -5.280110      0.999118     -3.035012
  H      -3.207922      0.076745     -2.056175
  H      -7.788574     -2.968753      2.569477
  H      -6.379853     -1.929866      2.217621
  H      -7.643371     -1.384368      3.350087
  H      -5.661466     -2.068285      4.608603
  H      -7.864081     -4.175186      4.899114
  H      -7.942067     -2.540654      5.545463
  H      -6.129660     -2.933483      7.100842
  H      -5.590439     -4.355346      6.225539
  H      -7.569758     -6.264542      6.010228
  H      -8.924977     -7.699311      7.476778
  H      -8.916361     -9.087316      9.224061
  H     -10.296768    -10.543411     10.670728
  H     -11.820771     -9.542293     12.369955
  H     -11.942717     -7.061362     12.600337
  H     -10.595272     -5.604944     11.125876
  H      -8.546415     -4.811181     10.650305
  H      -7.226928     -3.355417      9.160840
  H      -0.094741     -4.837897      6.099120
  H      -0.288050     -4.751857      7.867981
  H      -0.623863     -6.271040      7.016573
  H      -2.143066     -3.618151      6.691817
  H      -2.972754     -4.198371      8.693570
  H      -4.109180     -5.015443      7.638428
  H      -1.818539     -6.291031      9.239065
  H      -2.828584     -7.215032      8.122679
  H      -3.014051     -5.023353     11.170785
  H      -4.788486     -5.220843     12.876947
  H      -7.257363     -8.958654     12.590923
  H      -9.057425     -9.121362     14.280545
  H      -9.813560     -7.088483     15.509720
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  H      -6.990146     -4.717057     13.280345
  H      -6.755132     -8.211415     10.485162
  H      -4.978722     -8.012132      8.780189
  N      -3.154526     -2.381590      4.739549
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872757510696
  N      -2.297412     -3.803317      2.392489
  C      -2.314627     -4.903798      1.430278
  C      -2.590124     -6.240554      2.111110
  N      -3.715208     -6.123166      3.041919
  C      -5.028527     -5.997358      2.404657
  C      -5.973576     -5.187543      3.286034
  N      -5.341751     -3.959083      3.762717
  Mo     -3.372674     -3.918489      4.071122
  N      -2.690282     -5.170016      5.467768
  C      -2.603633     -6.601943      5.185843
  C      -3.666758     -7.042692      4.182256
  H      -2.749809     -7.199771      6.099878
  H      -1.596010     -6.868749      4.809961
  H      -4.651549     -7.013286      4.670413
  H      -3.481301     -8.087700      3.862399
  H      -6.880631     -4.968007      2.696885
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  H      -5.469901     -6.984508      2.162210
  H      -1.343684     -4.987258      0.912097
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  H      -1.707488     -6.531258      2.699107
  H      -2.757782     -7.030196      1.351811
  C      -0.468653     -2.599055      1.154052
  C      -1.833102     -2.513574      1.840526
  C      -2.918789     -1.894081      0.945027
  C      -2.683270     -0.412860      0.609270
  C      -3.912405      0.212419      0.005360
  C      -4.993244      0.581138      0.821821
  C      -6.162416      1.105358      0.278060
  C      -6.298313      1.285886     -1.110357
  C      -7.538701      1.847449     -1.688919
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  C      -8.666043      3.215727     -3.362248
  C      -9.905726      2.922985     -2.789331
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  C      -5.214839      0.918893     -1.926594
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  C     -11.354953     -7.496750     11.847941
  C     -10.584608     -6.686818     11.015673
  C      -8.419791     -5.137133      9.606894
  C      -7.650611     -4.334883      8.765899
  C      -0.665232     -5.203584      6.938459
  C      -2.109835     -4.731109      6.753795
  C      -3.017511     -5.038990      7.974273
  C      -2.814202     -6.356499      8.745681
  C      -3.858275     -6.509631      9.822062
  C      -3.813342     -5.730397     10.987459
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  H      -6.531660      2.941093     -3.258457
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  H      -6.128219     -3.000896      7.091390
  H      -5.606328     -4.432468      6.218097
  H      -7.563889     -6.341039      6.030942
  H      -8.939478     -7.753552      7.501741
  H      -8.944140     -9.108494      9.278500
  H     -10.329343    -10.545698     10.738888
  H     -11.878545     -9.522598     12.400783
  H     -12.022036     -7.038891     12.579911
  H     -10.673026     -5.601615     11.088569
  H      -8.622585     -4.803976     10.626238
  H      -7.281369     -3.373470      9.131870
  H      -0.046414     -4.870718      6.092806
  H      -0.243619     -4.778579      7.861157
  H      -0.586440     -6.297747      7.012789
  H      -2.088553     -3.635904      6.678141
  H      -2.885759     -4.215400      8.695780
  H      -4.063499     -4.973077      7.640489
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  H      -2.863382     -7.226443      8.075611
  H      -2.973733     -5.047907     11.142379
  H      -4.748078     -5.210044     12.854809
  H      -7.288706     -8.895577     12.577838
  H      -9.100718     -9.017319     14.259008
  H      -9.826453     -6.964475     15.472641
  H      -8.740468     -4.780108     14.953363
  H      -6.947457     -4.656633     13.247410
  H      -6.781655     -8.157070     10.467706
  H      -5.005741     -7.994586      8.756662
  N      -3.155817     -2.400643      4.750511
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.872915651439
  N      -2.293737     -3.799746      2.390986
  C      -2.305621     -4.890324      1.418205
  C      -2.556879     -6.237635      2.086760
  N      -3.674764     -6.145032      3.029356
  C      -4.995242     -6.037448      2.402764
  C      -5.945432     -5.243871      3.293009
  N      -5.330502     -4.007190      3.768913
  Mo     -3.359073     -3.942750      4.073355
  N      -2.646909     -5.194014      5.454063
  C      -2.532123     -6.620273      5.153647
  C      -3.601103     -7.072963      4.162294
  H      -2.645446     -7.231464      6.063159
  H      -1.526654     -6.858198      4.753469
  H      -4.580923     -7.060374      4.661438
  H      -3.402941     -8.112677      3.833196
  H      -6.858230     -5.035782      2.708307
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  H      -4.866566     -5.491434      1.457240
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  H      -1.337701     -4.955998      0.891728
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  H      -1.664731     -6.522977      2.662656
  H      -2.722222     -7.020804      1.320577
  C      -0.472077     -2.570524      1.168299
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  C      -2.698514     -0.392746      0.644646
  C      -3.929076      0.232279      0.043009
  C      -5.015648      0.582776      0.859484
  C      -6.185491      1.107232      0.317517
  C      -6.316051      1.305797     -1.068896
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  C      -9.924740      2.947108     -2.741361
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  C      -8.813810      1.568860     -1.089100
  C      -5.226821      0.956703     -1.885104
  C      -4.058021      0.429238     -1.337569
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  C      -7.251376     -3.487303      5.280066
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  C      -7.341620     -4.804465      7.459297
  C      -7.805453     -6.064703      7.047722
  C      -8.586594     -6.856752      7.882732
  C      -8.940485     -6.424266      9.173701
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  C      -9.664365     -8.674704     10.020674
  C     -10.437010     -9.475728     10.859686
  C     -11.320683     -8.893167     11.770425
  C     -11.420396     -7.501230     11.833643
  C     -10.651382     -6.701635     10.990680
  C      -8.471559     -5.166828      9.588094
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  C      -2.062731     -4.755242      6.739023
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  H      -7.003810      1.394492      0.980445
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  H     -10.839953      3.365020     -3.163847
  H     -10.947720      1.849334     -1.186019
  H      -8.872766      0.890997     -0.235661
  H      -5.306570      1.078883     -2.966989
  H      -3.228822      0.157059     -1.995820
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  H      -7.686879     -1.539009      3.349627
  H      -5.681692     -2.171018      4.633853
  H      -7.858345     -4.313371      4.875889
  H      -7.960001     -2.684996      5.538813
  H      -6.118905     -3.083036      7.082850
  H      -5.620481     -4.523047      6.205208
  H      -7.553351     -6.428234      6.047587
  H      -8.947665     -7.821385      7.519756
  H      -8.958768     -9.142993      9.332132
  H     -10.341973    -10.562307     10.809809
  H     -11.923343     -9.519790     12.429686
  H     -12.101092     -7.034608     12.547385
  H     -10.754847     -5.616325     11.037561
  H      -8.691298     -4.816878     10.598252
  H      -7.326695     -3.409227      9.101859
  H      -0.000012     -4.916556      6.080550
  H      -0.198634     -4.813429      7.848325
  H      -0.552840     -6.333928      7.007150
  H      -2.031405     -3.660466      6.658958
  H      -2.801850     -4.239558      8.690648
  H      -4.017422     -4.937480      7.633963
  H      -1.807442     -6.442301      9.147312
  H      -2.911514     -7.238428      8.020131
  H      -2.931785     -5.065459     11.100552
  H      -4.702986     -5.178371     12.821633
  H      -7.322340     -8.806088     12.586062
  H      -9.152330     -8.864465     14.250995
  H      -9.851909     -6.776757     15.419330
  H      -8.717206     -4.622987     14.876561
  H      -6.903924     -4.563449     13.188364
  H      -6.809401     -8.092871     10.460227
  H      -5.036291     -7.981503      8.740807
  N      -3.159687     -2.428981      4.765475
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.873096017887
  N      -2.278349     -3.797919      2.386901
  C      -2.285482     -4.878569      1.403451
  C      -2.513436     -6.234663      2.062420
  N      -3.625178     -6.165288      3.014856
  C      -4.951692     -6.074977      2.397075
  C      -5.907530     -5.295473      3.293451
  N      -5.306355     -4.052696      3.771869
  Mo     -3.333900     -3.965404      4.072453
  N      -2.597798     -5.215703      5.439482
  C      -2.458298     -6.637504      5.123857
  C      -3.530414     -7.100102      4.141237
  H      -2.545805     -7.257782      6.029594
  H      -1.454474     -6.851087      4.706309
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  H      -3.323344     -8.135643      3.804595
  H      -6.822348     -5.093561      2.709739
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  H      -4.837069     -5.527950      1.450514
  H      -5.367627     -7.074465      2.160577
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  H      -1.612348     -6.511866      2.628000
  H      -2.675727     -7.013266      1.291064
  C      -0.469526     -2.541160      1.172217
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  C      -2.925651     -1.864934      0.978868
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  C      -8.725979      3.261619     -3.232067
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  H       0.257126     -3.084291      1.793536
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  H      -5.675677     -2.220486      4.634103
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  H      -7.951138     -2.746884      5.531135
  H      -6.095171     -3.157343      7.069705
  H      -5.626035     -4.608203      6.189178
  H      -7.542832     -6.502154      6.062784
  H      -8.962789     -7.867628      7.536015
  H      -8.992719     -9.155069      9.379484
  H     -10.383313    -10.546734     10.874383
  H     -11.987015     -9.475177     12.454981
  H     -12.179566     -6.988771     12.512161
  H     -10.823567     -5.599503     10.986456
  H      -8.744116     -4.813009     10.568905
  H      -7.350374     -3.434095      9.069915
  H       0.049928     -4.956526      6.078343
  H      -0.157553     -4.844743      7.844628
  H      -0.518842     -6.365659      7.007250
  H      -1.974247     -3.682049      6.641330
  H      -2.718958     -4.267623      8.688309
  H      -3.970774     -4.892410      7.624742
  H      -1.817937     -6.526299      9.087980
  H      -2.969897     -7.243353      7.955560
  H      -2.896830     -5.098798     11.060832
  H      -4.662751     -5.170381     12.788737
  H      -7.365044     -8.732164     12.577193
  H      -9.205847     -8.734391     14.230437
  H      -9.873624     -6.618875     15.367108
  H      -8.689883     -4.495439     14.810180
  H      -6.864004     -4.491667     13.134842
  H      -6.848541     -8.031512     10.434227
  H      -5.082351     -7.958480      8.705322
  N      -3.149612     -2.455577      4.776665
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.873289232290
  N      -2.252234     -3.787918      2.386080
  C      -2.255039     -4.857742      1.390828
  C      -2.467351     -6.220881      2.041238
  N      -3.578247     -6.171179      2.996757
  C      -4.907065     -6.090049      2.381066
  C      -5.869437     -5.319420      3.278251
  N      -5.274522     -4.076317      3.767742
  Mo     -3.303098     -3.975802      4.071185
  N      -2.557719     -5.230220      5.426570
  C      -2.404470     -6.650210      5.099643
  C      -3.475152     -7.113268      4.116645
  H      -2.483683     -7.273918      6.003335
  H      -1.399850     -6.851183      4.678213
  H      -4.448515     -7.118265      4.630199
  H      -3.267531     -8.146700      3.773861
  H      -6.778973     -5.112192      2.688485
  H      -6.198383     -5.960698      4.120977
  H      -4.798088     -5.545451      1.432770
  H      -5.316031     -7.093705      2.149702
  H      -1.291215     -4.896588      0.854238
  H      -3.027740     -4.678183      0.616502
  H      -1.560997     -6.489237      2.602424
  H      -2.624122     -6.995980      1.265137
  C      -0.457284     -2.502736      1.176600
  C      -1.817250     -2.470819      1.882809
  C      -2.915734     -1.838325      1.006603
  C      -2.719897     -0.336444      0.744196
  C      -3.960281      0.277195      0.149693
  C      -5.063530      0.574384      0.963605
  C      -6.242969      1.078243      0.422879
  C      -6.367018      1.308630     -0.959148
  C      -7.622418      1.839530     -1.534379
  C      -7.601395      2.716157     -2.633789
  C      -8.784672      3.216121     -3.176289
  C     -10.018878      2.851452     -2.631803
  C     -10.056026      1.981660     -1.539342
  C      -8.872540      1.481596     -0.997623
  C      -5.258863      1.017695     -1.771993
  C      -4.080167      0.510771     -1.225799
  C      -7.016859     -2.465562      2.986558
  C      -6.255472     -3.051112      4.180536
  C      -7.218680     -3.575466      5.259170
  C      -6.479833     -4.065949      6.512709
  C      -7.344535     -4.876654      7.439452
  C      -7.814878     -6.141647      7.052376
  C      -8.629166     -6.899125      7.887184
  C      -9.008292     -6.421893      9.156051
  C      -9.852987     -7.232760     10.058947
  C      -9.761065     -8.635919     10.067288
  C     -10.545072     -9.402738     10.927979
  C     -11.439071     -8.783683     11.804172
  C     -11.540743     -7.390740     11.809002
  C     -10.759432     -6.625909     10.946095
  C      -8.533193     -5.160723      9.546969
  C      -7.718002     -4.404637      8.704009
  C      -0.551467     -5.302266      6.927004
  C      -1.980669     -4.796273      6.718468
  C      -2.906663     -5.066016      7.927594
  C      -2.865855     -6.451299      8.597752
  C      -3.887978     -6.548331      9.701043
  C      -3.760774     -5.788966     10.874132
  C      -4.747556     -5.808286     11.855996
  C      -5.897319     -6.604698     11.710684
  C      -6.974784     -6.592130     12.721122
  C      -7.678203     -7.764937     13.049160
  C      -8.707731     -7.742926     13.988055
  C      -9.061637     -6.547886     14.617821
  C      -8.372688     -5.374169     14.301924
  C      -7.339801     -5.397473     13.364601
  C      -6.005406     -7.393233     10.553908
  C      -5.025651     -7.354190      9.565360
  H       0.283488     -3.040989      1.785790
  H      -0.089913     -1.477144      1.030370
  H      -0.507977     -2.978509      0.185809
  H      -1.717781     -1.837117      2.776064
  H      -3.872937     -1.981803      1.531775
  H      -2.995421     -2.370841      0.043927
  H      -1.863699     -0.170601      0.073173
  H      -2.483447      0.158661      1.700935
  H      -4.990304      0.413557      2.042245
  H      -7.075239      1.324643      1.084812
  H      -6.642016      3.028099     -3.050713
  H      -8.743001      3.902297     -4.024152
  H     -10.944750      3.243365     -3.055830
  H     -11.015080      1.683726     -1.110855
  H      -8.914849      0.782962     -0.160063
  H      -5.330814      1.167220     -2.850890
  H      -3.236187      0.284474     -1.882230
  H      -7.652917     -3.214553      2.491791
  H      -6.319787     -2.058761      2.240696
  H      -7.671609     -1.647907      3.322710
  H      -5.652626     -2.244409      4.622761
  H      -7.831729     -4.394590      4.849600
  H      -7.922777     -2.770144      5.523571
  H      -6.052511     -3.207854      7.053720
  H      -5.625008     -4.671804      6.168569
  H      -7.537920     -6.538921      6.071539
  H      -8.988036     -7.871124      7.544000
  H      -9.047011     -9.131356      9.406313
  H     -10.446739    -10.489623     10.921358
  H     -12.050006     -9.381968     12.481929
  H     -12.233043     -6.894174     12.491685
  H     -10.862046     -5.539783     10.950325
  H      -8.770537     -4.782315     10.542860
  H      -7.346073     -3.434079      9.041035
  H       0.088472     -4.988381      6.089760
  H      -0.134983     -4.881342      7.854282
  H      -0.498285     -6.397048      7.007813
  H      -1.931191     -3.702148      6.636859
  H      -2.654083     -4.316698      8.696672
  H      -3.938538     -4.846427      7.616512
  H      -1.857435     -6.636096      9.001982
  H      -3.066526     -7.248200      7.866767
  H      -2.873996     -5.165770     11.016575
  H      -4.620732     -5.210744     12.761016
  H      -7.403845     -8.706217     12.570360
  H      -9.240880     -8.664933     14.225297
  H      -9.872619     -6.529732     15.347746
  H      -8.647182     -4.432629     14.781011
  H      -6.823144     -4.471195     13.105500
  H      -6.897365     -8.003732     10.408624
  H      -5.154718     -7.948570      8.657367
  N      -3.127237     -2.472375      4.791916
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.873475011542
  N      -2.231741     -3.777621      2.385053
  C      -2.233493     -4.835724      1.377116
  C      -2.427063     -6.207985      2.014517
  N      -3.530083     -6.179378      2.979849
  C      -4.865172     -6.108870      2.376451
  C      -5.828527     -5.353229      3.285794
  N      -5.240905     -4.107814      3.779862
  Mo     -3.270175     -3.990743      4.074455
  N      -2.504457     -5.250585      5.413714
  C      -2.332440     -6.664613      5.067396
  C      -3.406432     -7.130185      4.089616
  H      -2.391662     -7.301297      5.963030
  H      -1.329052     -6.844162      4.633465
  H      -4.374741     -7.150753      4.612307
  H      -3.191378     -8.158111      3.735012
  H      -6.743779     -5.149823      2.703723
  H      -6.145931     -6.002992      4.126500
  H      -4.770443     -5.558992      1.429701
  H      -5.265415     -7.115882      2.144005
  H      -1.274558     -4.859288      0.831086
  H      -3.014731     -4.655176      0.611673
  H      -1.513117     -6.473081      2.564890
  H      -2.583315     -6.976289      1.231434
  C      -0.449458     -2.466732      1.183514
  C      -1.807762     -2.452137      1.893646
  C      -2.913528     -1.820057      1.026185
  C      -2.732894     -0.313858      0.779379
  C      -3.979468      0.292412      0.190349
  C      -5.085782      0.572310      1.006391
  C      -6.270831      1.066808      0.469118
  C      -6.397930      1.304866     -0.911370
  C      -7.659861      1.823628     -1.483217
  C      -7.650605      2.707772     -2.576828
  C      -8.840544      3.194774     -3.116573
  C     -10.069829      2.809299     -2.575115
  C     -10.095373      1.932031     -1.488283
  C      -8.905090      1.444956     -0.949361
  C      -5.286457      1.032224     -1.726169
  C      -4.102102      0.534528     -1.183565
  C      -6.985936     -2.500618      2.995409
  C      -6.229210     -3.088545      4.191029
  C      -7.196884     -3.620865      5.260980
  C      -6.462224     -4.125734      6.511041
  C      -7.340245     -4.919328      7.439641
  C      -7.815713     -6.185147      7.063068
  C      -8.647922     -6.924578      7.896672
  C      -9.038850     -6.427413      9.153864
  C      -9.899685     -7.219932     10.058259
  C      -9.817189     -8.623292     10.088252
  C     -10.616602     -9.372392     10.950835
  C     -11.517030     -8.734710     11.807155
  C     -11.609545     -7.341288     11.790281
  C     -10.812760     -6.594149     10.925643
  C      -8.558845     -5.164838      9.534164
  C      -7.726875     -4.426608      8.692005
  C      -0.504953     -5.345437      6.924098
  C      -1.927168     -4.822945      6.707989
  C      -2.859713     -5.076935      7.915084
  C      -2.881645     -6.478010      8.552564
  C      -3.901010     -6.557284      9.660151
  C      -3.751928     -5.808101     10.837170
  C      -4.736041     -5.809795     11.822162
  C      -5.904171     -6.578907     11.676945
  C      -6.981607     -6.541614     12.687049
  C      -7.712226     -7.697464     13.015170
  C      -8.744137     -7.650226     13.950694
  C      -9.073222     -6.446135     14.577032
  C      -8.356900     -5.289022     14.260992
  C      -7.321711     -5.337553     13.326971
  C      -6.032873     -7.361195     10.518319
  C      -5.056239     -7.338317      9.526012
  H       0.297981     -3.004284      1.785237
  H      -0.091577     -1.436663      1.045817
  H      -0.498867     -2.933579      0.188370
  H      -1.710403     -1.826395      2.792685
  H      -3.868566     -1.978268      1.551191
  H      -2.989404     -2.342818      0.057860
  H      -1.878478     -0.132470      0.109909
  H      -2.501481      0.174179      1.741029
  H      -5.010746      0.404890      2.083956
  H      -7.105675      1.299365      1.132951
  H      -6.695551      3.035637     -2.991436
  H      -8.808105      3.886887     -3.960069
  H     -11.000915      3.190883     -2.997257
  H     -11.050278      1.618039     -1.062149
  H      -8.938152      0.740131     -0.116515
  H      -5.359892      1.188211     -2.804106
  H      -3.255968      0.321893     -1.841888
  H      -7.614250     -3.250335      2.491588
  H      -6.286839     -2.084662      2.256524
  H      -7.648781     -1.689468      3.331414
  H      -5.632516     -2.281264      4.640500
  H      -7.811057     -4.435011      4.842603
  H      -7.899805     -2.816607      5.531623
  H      -6.016781     -3.275888      7.050448
  H      -5.621283     -4.747257      6.161303
  H      -7.528387     -6.597068      6.091408
  H      -9.009644     -7.898322      7.562140
  H      -9.098986     -9.132602      9.442379
  H     -10.525258    -10.459790     10.960942
  H     -12.139855     -9.318839     12.486478
  H     -12.307949     -6.830243     12.455998
  H     -10.908775     -5.507480     10.911635
  H      -8.805411     -4.772671     10.522324
  H      -7.351220     -3.454739      9.020699
  H       0.144174     -5.038755      6.091241
  H      -0.090012     -4.929013      7.854065
  H      -0.464048     -6.440771      7.005254
  H      -1.864612     -3.729258      6.627077
  H      -2.567975     -4.358154      8.699577
  H      -3.880938     -4.801504      7.613278
  H      -1.880158     -6.720001      8.944116
  H      -3.125602     -7.246462      7.804688
  H      -2.850952     -5.205958     10.980917
  H      -4.592797     -5.218845     12.729080
  H      -7.458344     -8.645758     12.538735
  H      -9.298998     -8.559436     14.187236
  H      -9.886467     -6.407905     15.303769
  H      -8.611470     -4.340470     14.737494
  H      -6.783968     -4.423470     13.067442
  H      -6.937026     -7.953845     10.374371
  H      -5.201935     -7.925187      8.615644
  N      -3.103253     -2.491650      4.806849
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.873545399771
  N      -2.201138     -3.752925      2.380171
  C      -2.212298     -4.800969      1.360094
  C      -2.403350     -6.178427      1.990462
  N      -3.501999     -6.156710      2.959519
  C      -4.841572     -6.079440      2.370054
  C      -5.797451     -5.328804      3.294118
  N      -5.192876     -4.092572      3.797458
  Mo     -3.227912     -3.977486      4.075681
  N      -2.461114     -5.254547      5.398511
  C      -2.297155     -6.669220      5.045053
  C      -3.370678     -7.115924      4.056960
  H      -2.374254     -7.312797      5.934376
  H      -1.286540     -6.854585      4.630967
  H      -4.335371     -7.147176      4.586234
  H      -3.160907     -8.139849      3.687291
  H      -6.719128     -5.116018      2.726818
  H      -6.102882     -5.987038      4.131999
  H      -4.754567     -5.526492      1.424125
  H      -5.245575     -7.084765      2.135215
  H      -1.261150     -4.819233      0.801125
  H      -3.001016     -4.617469      0.603038
  H      -1.487028     -6.443619      2.537616
  H      -2.559379     -6.944008      1.203701
  C      -0.428902     -2.431939      1.170227
  C      -1.781890     -2.422369      1.887608
  C      -2.899363     -1.791740      1.036320
  C      -2.734751     -0.284589      0.791759
  C      -3.989018      0.308283      0.206546
  C      -5.098097      0.580542      1.023186
  C      -6.290821      1.056119      0.485046
  C      -6.424665      1.283294     -0.896957
  C      -7.695202      1.775666     -1.471507
  C      -7.706191      2.658524     -2.566634
  C      -8.907487      3.112988     -3.109870
  C     -10.127529      2.695591     -2.570750
  C     -10.133495      1.820119     -1.481658
  C      -8.931025      1.365912     -0.939478
  C      -5.310178      1.021317     -1.712072
  C      -4.118263      0.541466     -1.169384
  C      -6.949481     -2.475712      3.040798
  C      -6.176135     -3.071817      4.221945
  C      -7.135660     -3.602013      5.299046
  C      -6.402628     -4.131307      6.539345
  C      -7.287514     -4.909118      7.474358
  C      -7.781564     -6.165562      7.098035
  C      -8.636753     -6.887050      7.925805
  C      -9.024098     -6.384257      9.178433
  C      -9.906713     -7.160865     10.077996
  C      -9.864119     -8.566669     10.103101
  C     -10.699652     -9.298186     10.949831
  C     -11.597568     -8.639385     11.794369
  C     -11.647389     -7.243735     11.785139
  C     -10.813031     -6.513536     10.938262
  C      -8.522586     -5.128710      9.560622
  C      -7.675510     -4.406378      8.722602
  C      -0.479687     -5.396320      6.935481
  C      -1.892003     -4.849376      6.702943
  C      -2.851166     -5.097978      7.893937
  C      -2.931497     -6.511202      8.498197
  C      -3.944564     -6.584685      9.614237
  C      -3.800198     -5.819197     10.780944
  C      -4.779617     -5.828691     11.772955
  C      -5.934129     -6.620901     11.646548
  C      -7.009882     -6.582005     12.662247
  C      -7.739589     -7.734435     12.996815
  C      -8.764984     -7.685214     13.940431
  C      -9.087700     -6.480304     14.571458
  C      -8.375834     -5.323996     14.244343
  C      -7.348971     -5.373969     13.300459
  C      -6.055204     -7.421829     10.502264
  C      -5.085201     -7.390633      9.501910
  H       0.328087     -2.962404      1.766362
  H      -0.081639     -1.399562      1.026385
  H      -0.482729     -2.901013      0.176039
  H      -1.678455     -1.802410      2.790574
  H      -3.849361     -1.955411      1.570738
  H      -2.984729     -2.309947      0.066007
  H      -1.883880     -0.093706      0.119114
  H      -2.505766      0.204934      1.753909
  H      -5.019962      0.419084      2.101901
  H      -7.127600      1.279471      1.150315
  H      -6.759607      3.010493     -2.980773
  H      -8.890760      3.804024     -3.955161
  H     -11.067589      3.050497     -2.996798
  H     -11.079863      1.481639     -1.056430
  H      -8.948205      0.661768     -0.105151
  H      -5.385683      1.169604     -2.791402
  H      -3.272358      0.333125     -1.830102
  H      -7.612154     -3.210063      2.556130
  H      -6.259930     -2.078796      2.282656
  H      -7.588175     -1.650201      3.388578
  H      -5.577450     -2.265172      4.670464
  H      -7.765680     -4.402134      4.873612
  H      -7.827677     -2.795275      5.589278
  H      -5.931428     -3.292419      7.074560
  H      -5.576970     -4.771436      6.187596
  H      -7.495781     -6.582302      6.128995
  H      -9.016024     -7.853135      7.590425
  H      -9.152601     -9.090443      9.461371
  H     -10.641242    -10.388328     10.954088
  H     -12.248178     -9.208898     12.460872
  H     -12.346908     -6.717120     12.437450
  H     -10.877725     -5.424179     10.922958
  H      -8.768482     -4.736302     10.548169
  H      -7.289974     -3.438913      9.053197
  H       0.187513     -5.094355      6.115487
  H      -0.074032     -4.989183      7.872839
  H      -0.453846     -6.492853      7.012477
  H      -1.808888     -3.755557      6.638221
  H      -2.553719     -4.407813      8.701876
  H      -3.856795     -4.781546      7.581381
  H      -1.936273     -6.801516      8.874497
  H      -3.214141     -7.252794      7.736748
  H      -2.909152     -5.201098     10.918375
  H      -4.637865     -5.223629     12.670727
  H      -7.493039     -8.683914     12.517487
  H      -9.320260     -8.593707     14.178107
  H      -9.894803     -6.440674     15.305689
  H      -8.625454     -4.373717     14.722095
  H      -6.815755     -4.459229     13.034036
  H      -6.939782     -8.046023     10.372988
  H      -5.225932     -7.992825      8.600593
  N      -3.052893     -2.479915      4.814499
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.873847650149
  N      -2.194610     -3.754531      2.385936
  C      -2.192601     -4.796424      1.360351
  C      -2.363129     -6.180958      1.979035
  N      -3.459989     -6.181460      2.950942
  C      -4.800616     -6.125302      2.360712
  C      -5.767964     -5.390588      3.284573
  N      -5.187281     -4.144986      3.788557
  Mo     -3.221245     -4.004819      4.077763
  N      -2.432378     -5.275348      5.394151
  C      -2.240528     -6.682123      5.027312
  C      -3.311092     -7.145635      4.044171
  H      -2.290608     -7.335892      5.911259
  H      -1.232401     -6.840263      4.595986
  H      -4.274438     -7.195226      4.573988
  H      -3.082274     -8.163640      3.669279
  H      -6.691255     -5.192901      2.714073
  H      -6.068807     -6.053539      4.121023
  H      -4.722971     -5.567891      1.416550
  H      -5.187737     -7.136343      2.122794
  H      -1.240975     -4.797256      0.801589
  H      -2.984991     -4.616490      0.606032
  H      -1.442512     -6.439727      2.521544
  H      -2.511158     -6.941422      1.186389
  C      -0.431721     -2.407258      1.194899
  C      -1.788364     -2.416844      1.905463
  C      -2.906013     -1.790537      1.051692
  C      -2.753644     -0.278009      0.828126
  C      -4.008819      0.312985      0.242832
  C      -5.123058      0.566383      1.057920
  C      -6.315091      1.045149      0.521479
  C      -6.442229      1.294052     -0.857209
  C      -7.710909      1.794874     -1.429250
  C      -7.715617      2.695710     -2.509274
  C      -8.913647      3.162598     -3.049109
  C     -10.136531      2.739709     -2.521511
  C     -10.148484      1.845670     -1.447959
  C      -8.949699      1.379010     -0.908983
  C      -5.323220      1.048561     -1.671003
  C      -4.132077      0.565763     -1.129711
  C      -6.943350     -2.543607      3.008165
  C      -6.183664     -3.134492      4.200879
  C      -7.152376     -3.676332      5.264383
  C      -6.422925     -4.208788      6.505318
  C      -7.319201     -4.971285      7.440980
  C      -7.815580     -6.231941      7.078347
  C      -8.675030     -6.939692      7.913117
  C      -9.068650     -6.416306      9.156772
  C      -9.952775     -7.178202     10.065458
  C      -9.902298     -8.582802     10.116663
  C     -10.728007     -9.301911     10.981428
  C     -11.623537     -8.632010     11.818841
  C     -11.683692     -7.237166     11.781193
  C     -10.859942     -6.519603     10.914873
  C      -8.566843     -5.156775      9.522963
  C      -7.712403     -4.449573      8.678962
  C      -0.452125     -5.409640      6.932357
  C      -1.861006     -4.858953      6.694607
  C      -2.813543     -5.087277      7.890938
  C      -2.947191     -6.507896      8.466543
  C      -3.954659     -6.565731      9.588428
  C      -3.782898     -5.813148     10.760174
  C      -4.754096     -5.804377     11.758998
  C      -5.928773     -6.566701     11.635010
  C      -6.995841     -6.508605     12.657391
  C      -7.741187     -7.649712     12.998802
  C      -8.764464     -7.581224     13.943094
  C      -9.069710     -6.368264     14.565829
  C      -8.339715     -5.224184     14.234743
  C      -7.313655     -5.293919     13.291671
  C      -6.078641     -7.355316     10.484590
  C      -5.115943     -7.341341      9.477182
  H       0.324396     -2.939598      1.790279
  H      -0.089093     -1.371213      1.064745
  H      -0.476898     -2.865647      0.195338
  H      -1.697250     -1.802172      2.813247
  H      -3.857677     -1.971440      1.576210
  H      -2.977931     -2.297642      0.074616
  H      -1.899333     -0.070186      0.165499
  H      -2.536241      0.199523      1.798620
  H      -5.049047      0.389013      2.134195
  H      -7.156173      1.255640      1.185197
  H      -6.766280      3.051959     -2.913307
  H      -8.892196      3.868040     -3.881950
  H     -11.074022      3.104872     -2.944219
  H     -11.097641      1.502539     -1.032304
  H      -8.971052      0.661279     -0.086768
  H      -5.394932      1.214054     -2.747882
  H      -3.281085      0.372585     -1.788253
  H      -7.578674     -3.289039      2.505552
  H      -6.245801     -2.128574      2.267459
  H      -7.604485     -1.732548      3.348114
  H      -5.597053     -2.324235      4.658537
  H      -7.773854     -4.478311      4.831426
  H      -7.849818     -2.873166      5.551538
  H      -5.941356     -3.373813      7.037496
  H      -5.607332     -4.859319      6.148534
  H      -7.524499     -6.663042      6.116600
  H      -9.055172     -7.910309      7.590298
  H      -9.188925     -9.115574      9.484765
  H     -10.662426    -10.391253     11.007883
  H     -12.266431     -9.192335     12.500188
  H     -12.380189     -6.702242     12.429817
  H     -10.930584     -5.431298     10.881406
  H      -8.816649     -4.747276     10.502932
  H      -7.323084     -3.479382      8.996213
  H       0.217755     -5.117430      6.110958
  H      -0.045722     -4.997711      7.867699
  H      -0.431181     -6.505178      7.017612
  H      -1.774183     -3.766152      6.618949
  H      -2.470715     -4.424908      8.703966
  H      -3.808564     -4.719951      7.598240
  H      -1.962449     -6.847382      8.829150
  H      -3.264121     -7.219647      7.690281
  H      -2.875891     -5.217858     10.892775
  H      -4.593153     -5.209201     12.660230
  H      -7.508011     -8.604175     12.523551
  H      -9.332484     -8.480092     14.187134
  H      -9.875776     -6.313230     15.299837
  H      -8.575674     -4.268417     14.707387
  H      -6.766102     -4.389415     13.019604
  H      -6.984546     -7.948552     10.356535
  H      -5.279441     -7.930804      8.571465
  N      -3.070987     -2.509262      4.823365
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874055806263
  N      -2.180643     -3.747578      2.386097
  C      -2.171765     -4.783087      1.354470
  C      -2.321521     -6.173682      1.963772
  N      -3.414046     -6.194896      2.940771
  C      -4.757383     -6.156359      2.355708
  C      -5.730417     -5.436435      3.284803
  N      -5.166151     -4.183902      3.788080
  Mo     -3.200696     -4.020313      4.078402
  N      -2.391937     -5.287230      5.385819
  C      -2.177973     -6.687594      5.008491
  C      -3.245811     -7.163533      4.028317
  H      -2.209735     -7.348651      5.888217
  H      -1.170630     -6.824683      4.568126
  H      -4.206261     -7.231045      4.561488
  H      -3.001720     -8.175541      3.646819
  H      -6.658402     -5.250918      2.717788
  H      -6.019880     -6.104435      4.121641
  H      -4.691787     -5.595208      1.412778
  H      -5.131062     -7.172036      2.116642
  H      -1.223159     -4.768058      0.790784
  H      -2.971123     -4.607191      0.606430
  H      -1.395391     -6.424467      2.500534
  H      -2.463041     -6.930519      1.166759
  C      -0.428260     -2.377454      1.206999
  C      -1.786226     -2.403652      1.914507
  C      -2.907222     -1.781309      1.062617
  C      -2.767841     -0.264980      0.854114
  C      -4.026158      0.320887      0.270430
  C      -5.143682      0.558654      1.085424
  C      -6.337508      1.035183      0.551184
  C      -6.462876      1.297133     -0.825130
  C      -7.732805      1.797990     -1.394620
  C      -7.738549      2.710317     -2.464831
  C      -8.937151      3.179199     -3.001661
  C     -10.159457      2.746764     -2.480715
  C     -10.170257      1.840904     -1.417115
  C      -8.971091      1.372251     -0.881078
  C      -5.340990      1.066019     -1.639010
  C      -4.148067      0.585645     -1.099778
  C      -6.928118     -2.597857      2.994875
  C      -6.174076     -3.183263      4.194150
  C      -7.146590     -3.735043      5.249178
  C      -6.420841     -4.271895      6.490509
  C      -7.330517     -5.012429      7.430523
  C      -7.833505     -6.275397      7.083848
  C      -8.703590     -6.963241      7.923958
  C      -9.102544     -6.416512      9.156337
  C      -9.992579     -7.160241     10.073740
  C      -9.943670     -8.563800     10.148811
  C     -10.770807     -9.266894     11.024582
  C     -11.666140     -8.581721     11.849541
  C     -11.725769     -7.187666     11.787254
  C     -10.900633     -6.486154     10.909546
  C      -8.596245     -5.153799      9.504944
  C      -7.730622     -4.466632      8.655774
  C      -0.423989     -5.428329      6.941412
  C      -1.826453     -4.868604      6.688396
  C      -2.788534     -5.084239      7.876894
  C      -2.978349     -6.511454      8.416705
  C      -3.978348     -6.559932      9.546341
  C      -3.792206     -5.808215     10.716671
  C      -4.754579     -5.792787     11.723510
  C      -5.935169     -6.547597     11.609412
  C      -6.995562     -6.478772     12.637418
  C      -7.749005     -7.613061     12.984708
  C      -8.768976     -7.533160     13.931561
  C      -9.062342     -6.315466     14.550553
  C      -8.323565     -5.178396     14.214350
  C      -7.300895     -5.259694     13.268828
  C      -6.098817     -7.336701     10.461121
  C      -5.144790     -7.329062      9.445588
  H       0.329946     -2.908825      1.800412
  H      -0.092478     -1.338045      1.085459
  H      -0.467955     -2.828438      0.203923
  H      -1.702808     -1.794288      2.826592
  H      -3.858548     -1.975976      1.582403
  H      -2.971317     -2.279786      0.080568
  H      -1.912893     -0.042848      0.197266
  H      -2.558475      0.204317      1.830192
  H      -5.070750      0.371108      2.159958
  H      -7.181359      1.234246      1.214728
  H      -6.789525      3.073901     -2.863143
  H      -8.916613      3.893875     -3.826551
  H     -11.097386      3.113703     -2.900762
  H     -11.119130      1.490100     -1.006938
  H      -8.991173      0.645830     -0.066559
  H      -5.411881      1.241892     -2.714216
  H      -3.294162      0.404633     -1.757843
  H      -7.546366     -3.350731      2.482565
  H      -6.227766     -2.170680      2.263828
  H      -7.604169     -1.797124      3.330571
  H      -5.598156     -2.368703      4.657631
  H      -7.762833     -4.537241      4.809454
  H      -7.847777     -2.935185      5.537089
  H      -5.925377     -3.441023      7.016529
  H      -5.617053     -4.937551      6.134325
  H      -7.536739     -6.724134      6.131741
  H      -9.088320     -7.936843      7.615018
  H      -9.229236     -9.108187      9.528087
  H     -10.706492    -10.355592     11.070232
  H     -12.310765     -9.129593     12.539182
  H     -12.422493     -6.641443     12.426277
  H     -10.970056     -5.398526     10.857771
  H      -8.850395     -4.726055     10.476086
  H      -7.336393     -3.493806      8.959046
  H       0.256278     -5.145603      6.125093
  H      -0.023594     -5.014066      7.878385
  H      -0.410993     -6.523341      7.032914
  H      -1.730769     -3.776601      6.610119
  H      -2.418458     -4.452909      8.702426
  H      -3.768056     -4.671973      7.591749
  H      -2.006193     -6.902726      8.761271
  H      -3.331104     -7.187047      7.623695
  H      -2.881277     -5.217189     10.840498
  H      -4.583985     -5.196915     12.622475
  H      -7.524588     -8.570653     12.511756
  H      -9.343621     -8.426495     14.180592
  H      -9.865766     -6.251403     15.286517
  H      -8.550712     -4.219240     14.684112
  H      -6.746297     -4.361035     12.991756
  H      -7.011194     -7.921468     10.340454
  H      -5.319969     -7.916900      8.541160
  N      -3.070744     -2.526788      4.830863
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874281470638
  N      -2.173623     -3.734707      2.391922
  C      -2.157717     -4.773684      1.364673
  C      -2.295841     -6.164342      1.972868
  N      -3.390912     -6.194523      2.948211
  C      -4.732505     -6.168713      2.358957
  C      -5.710130     -5.455763      3.287644
  N      -5.161492     -4.196636      3.784649
  Mo     -3.195713     -4.017316      4.082632
  N      -2.376699     -5.278787      5.389229
  C      -2.155565     -6.677108      5.017935
  C      -3.215730     -7.165858      4.035655
  H      -2.186752     -7.336112      5.901029
  H      -1.147706     -6.810586      4.578000
  H      -4.177399     -7.246483      4.564729
  H      -2.955128     -8.173172      3.652992
  H      -6.641390     -5.282884      2.721514
  H      -5.991168     -6.123535      4.128353
  H      -4.670916     -5.603843      1.417757
  H      -5.096258     -7.186881      2.116732
  H      -1.209437     -4.750797      0.800685
  H      -2.961330     -4.603574      0.619500
  H      -1.369493     -6.407750      2.512795
  H      -2.427812     -6.922841      1.176784
  C      -0.427069     -2.353368      1.221443
  C      -1.789535     -2.389313      1.919579
  C      -2.909343     -1.777026      1.059840
  C      -2.778463     -0.258051      0.855158
  C      -4.035218      0.321422      0.261565
  C      -5.158857      0.550363      1.069689
  C      -6.350091      1.027005      0.530013
  C      -6.465408      1.297153     -0.845222
  C      -7.731042      1.804537     -1.419896
  C      -7.724935      2.724776     -2.483431
  C      -8.917569      3.205353     -3.023812
  C     -10.145160      2.776814     -2.512875
  C     -10.167312      1.862213     -1.456486
  C      -8.974794      1.381818     -0.916737
  C      -5.338435      1.071279     -1.652953
  C      -4.148266      0.591390     -1.107742
  C      -6.927895     -2.628432      2.981635
  C      -6.176885     -3.205317      4.187276
  C      -7.149643     -3.765398      5.239612
  C      -6.426435     -4.302279      6.482444
  C      -7.349343     -5.019030      7.427957
  C      -7.871957     -6.278379      7.091161
  C      -8.740918     -6.950695      7.943854
  C      -9.124286     -6.391299      9.177305
  C     -10.010395     -7.123525     10.106073
  C      -9.969012     -8.527567     10.181494
  C     -10.788588     -9.223697     11.067135
  C     -11.668784     -8.531781     11.902158
  C     -11.721889     -7.137157     11.839091
  C     -10.904256     -6.442568     10.950717
  C      -8.602332     -5.131189      9.513239
  C      -7.734298     -4.460193      8.652862
  C      -0.422995     -5.423320      6.965549
  C      -1.817433     -4.853709      6.692135
  C      -2.794296     -5.063036      7.864317
  C      -3.031368     -6.496802      8.358727
  C      -4.018049     -6.551157      9.501507
  C      -3.834031     -5.785675     10.664019
  C      -4.779459     -5.786503     11.685656
  C      -5.943351     -6.570057     11.594442
  C      -6.987516     -6.519336     12.638478
  C      -7.719951     -7.666246     12.993155
  C      -8.725519     -7.604127     13.956097
  C      -9.024271     -6.392608     14.583637
  C      -8.306235     -5.243642     14.241222
  C      -7.298598     -5.307364     13.279407
  C      -6.105345     -7.369513     10.452057
  C      -5.167035     -7.347642      9.422831
  H       0.327586     -2.880613      1.822691
  H      -0.093844     -1.312548      1.100786
  H      -0.457468     -2.805782      0.218755
  H      -1.718655     -1.778729      2.832047
  H      -3.862558     -1.978442      1.572941
  H      -2.963936     -2.274688      0.076556
  H      -1.918066     -0.028139      0.209266
  H      -2.583182      0.208330      1.835099
  H      -5.092994      0.355922      2.143183
  H      -7.199368      1.220637      1.187628
  H      -6.770999      3.085346     -2.873061
  H      -8.887926      3.926754     -3.842696
  H     -11.078426      3.153420     -2.934686
  H     -11.121018      1.513550     -1.054739
  H      -9.003003      0.649861     -0.107251
  H      -5.403986      1.252999     -2.727276
  H      -3.288729      0.415969     -1.759427
  H      -7.537501     -3.388262      2.470592
  H      -6.224347     -2.201655      2.253485
  H      -7.608065     -1.829080      3.312514
  H      -5.609808     -2.385782      4.652408
  H      -7.761752     -4.567606      4.795827
  H      -7.852852     -2.967254      5.527498
  H      -5.918067     -3.473139      6.998978
  H      -5.632835     -4.984839      6.134528
  H      -7.585687     -6.737583      6.140167
  H      -9.141334     -7.922260      7.645538
  H      -9.263881     -9.078165      9.555425
  H     -10.731564    -10.312679     11.114476
  H     -12.309903     -9.075136     12.597852
  H     -12.406859     -6.587151     12.487669
  H     -10.967155     -5.354460     10.900178
  H      -8.845058     -4.691264     10.482393
  H      -7.325444     -3.489712      8.945875
  H       0.268532     -5.156770      6.153140
  H      -0.028176     -5.000739      7.901462
  H      -0.419588     -6.516838      7.071352
  H      -1.710300     -3.762998      6.610374
  H      -2.409595     -4.459906      8.703201
  H      -3.758937     -4.616468      7.581592
  H      -2.071901     -6.938915      8.677828
  H      -3.416287     -7.127742      7.543777
  H      -2.938406     -5.168565     10.766763
  H      -4.612075     -5.179277     12.577620
  H      -7.487289     -8.618577     12.514432
  H      -9.283241     -8.506311     14.213058
  H      -9.815462     -6.342871     15.333248
  H      -8.539992     -4.289608     14.716999
  H      -6.759933     -4.401040     12.995997
  H      -7.011673     -7.966427     10.345066
  H      -5.343018     -7.942665      8.523387
  N      -3.083831     -2.524533      4.836727
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874457161630
  N      -2.159836     -3.725633      2.391334
  C      -2.140014     -4.756371      1.355496
  C      -2.259111     -6.152765      1.955161
  N      -3.348834     -6.202503      2.935864
  C      -4.693962     -6.190929      2.354240
  C      -5.674905     -5.492450      3.290861
  N      -5.135554     -4.229318      3.789462
  Mo     -3.172907     -4.030531      4.083534
  N      -2.335419     -5.290415      5.379383
  C      -2.096657     -6.683494      4.997353
  C      -3.154449     -7.178726      4.015264
  H      -2.115987     -7.350037      5.874749
  H      -1.087874     -6.800204      4.554473
  H      -4.111676     -7.277712      4.549195
  H      -2.882298     -8.179351      3.623272
  H      -6.611470     -5.327738      2.731416
  H      -5.942493     -6.166156      4.131170
  H      -4.644521     -5.622570      1.414374
  H      -5.046863     -7.212590      2.110801
  H      -1.196336     -4.718819      0.784693
  H      -2.950646     -4.590110      0.617092
  H      -1.327278     -6.388356      2.489105
  H      -2.385967     -6.907896      1.154838
  C      -0.424563     -2.323471      1.229058
  C      -1.786334     -2.373732      1.927637
  C      -2.911265     -1.763000      1.073691
  C      -2.792619     -0.241512      0.882106
  C      -4.052322      0.332501      0.289706
  C      -5.179760      0.548279      1.096463
  C      -6.373149      1.019463      0.556669
  C      -6.487045      1.297441     -0.817205
  C      -7.754841      1.798703     -1.392088
  C      -7.753517      2.727031     -2.448482
  C      -8.948692      3.200923     -2.989068
  C     -10.174028      2.757347     -2.485560
  C     -10.191487      1.834637     -1.436251
  C      -8.996306      1.361043     -0.896269
  C      -5.356266      1.085064     -1.623500
  C      -4.164010      0.610335     -1.078367
  C      -6.909063     -2.667245      2.985787
  C      -6.157704     -3.244885      4.191077
  C      -7.130781     -3.813311      5.237502
  C      -6.409169     -4.364849      6.474640
  C      -7.341498     -5.062763      7.424123
  C      -7.884143     -6.314787      7.094087
  C      -8.767065     -6.966151      7.948926
  C      -9.142874     -6.392713      9.177617
  C     -10.042011     -7.104599     10.109998
  C     -10.023107     -8.508489     10.196341
  C     -10.855193     -9.185063     11.086415
  C     -11.725444     -8.473050     11.915158
  C     -11.755536     -7.078340     11.841803
  C     -10.925336     -6.403225     10.949101
  C      -8.600666     -5.139206      9.506221
  C      -7.719923     -4.489018      8.643291
  C      -0.392336     -5.450363      6.969229
  C      -1.778878     -4.865932      6.684119
  C      -2.763316     -5.055069      7.854073
  C      -3.069344     -6.487844      8.311056
  C      -4.051879     -6.534634      9.458759
  C      -3.852841     -5.777480     10.624072
  C      -4.789839     -5.777651     11.653639
  C      -5.960142     -6.552040     11.568650
  C      -6.995683     -6.496496     12.621779
  C      -7.738208     -7.636827     12.975668
  C      -8.736429     -7.568888     13.946205
  C      -9.017345     -6.357628     14.582930
  C      -8.289211     -5.214918     14.241387
  C      -7.289332     -5.284382     13.271612
  C      -6.137195     -7.344602     10.423867
  C      -5.207162     -7.323195      9.386460
  H       0.334546     -2.849189      1.826010
  H      -0.099344     -1.279613      1.114910
  H      -0.452594     -2.769305      0.223419
  H      -1.718839     -1.769561      2.844681
  H      -3.863049     -1.975859      1.585223
  H      -2.962274     -2.252247      0.086049
  H      -1.932291      0.000848      0.240341
  H      -2.603958      0.218121      1.866630
  H      -5.115293      0.347504      2.168982
  H      -7.225478      1.202592      1.213536
  H      -6.801731      3.099078     -2.832343
  H      -8.922822      3.928694     -3.802367
  H     -11.109307      3.128532     -2.907687
  H     -11.143094      1.474297     -1.040324
  H      -9.020586      0.622695     -0.092584
  H      -5.420167      1.273128     -2.696939
  H      -3.301667      0.445159     -1.729233
  H      -7.516202     -3.427256      2.471376
  H      -6.205620     -2.236268      2.260210
  H      -7.592595     -1.871151      3.317854
  H      -5.597375     -2.423627      4.661548
  H      -7.744953     -4.610000      4.785713
  H      -7.832422     -3.016772      5.533936
  H      -5.881019     -3.545961      6.987880
  H      -5.631729     -5.063283      6.122366
  H      -7.603361     -6.783938      6.146737
  H      -9.183750     -7.932251      7.656795
  H      -9.325957     -9.074418      9.575427
  H     -10.815900    -10.274424     11.142316
  H     -12.376100     -9.000961     12.614479
  H     -12.433051     -6.513094     12.485024
  H     -10.969926     -5.314739     10.890029
  H      -8.838093     -4.689686     10.471999
  H      -7.294874     -3.523845      8.929925
  H       0.307926     -5.197602      6.160167
  H       0.000759     -5.025150      7.904265
  H      -0.400989     -6.542942      7.083085
  H      -1.657899     -3.776797      6.599369
  H      -2.348874     -4.490584      8.705656
  H      -3.706253     -4.555993      7.583428
  H      -2.130728     -6.985803      8.610329
  H      -3.489221     -7.075108      7.480758
  H      -2.951703     -5.168278     10.725025
  H      -4.609710     -5.176724     12.547424
  H      -7.520424     -8.589056     12.489264
  H      -9.302931     -8.466107     14.201231
  H      -9.802985     -6.303263     15.338385
  H      -8.508875     -4.260845     14.724310
  H      -6.743380     -4.382175     12.988904
  H      -7.047380     -7.936302     10.321085
  H      -5.394642     -7.912537      8.485621
  N      -3.076334     -2.539862      4.844387
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874549613734
  N      -2.146032     -3.722551      2.379478
  C      -2.122822     -4.757958      1.347517
  C      -2.245757     -6.149999      1.959170
  N      -3.343789     -6.194479      2.930661
  C      -4.685532     -6.179625      2.341650
  C      -5.670097     -5.478906      3.273526
  N      -5.122822     -4.216924      3.773647
  Mo     -3.166238     -4.019509      4.068818
  N      -2.338411     -5.275022      5.373807
  C      -2.109241     -6.675112      5.007588
  C      -3.157726     -7.166420      4.011771
  H      -2.157239     -7.334372      5.887777
  H      -1.091139     -6.809369      4.590724
  H      -4.118521     -7.266929      4.538438
  H      -2.884229     -8.167282      3.622132
  H      -6.605871     -5.311854      2.714537
  H      -5.935278     -6.152876      4.113251
  H      -4.628405     -5.611636      1.402162
  H      -5.040378     -7.200157      2.096175
  H      -1.177948     -4.725087      0.778437
  H      -2.930099     -4.598650      0.604169
  H      -1.318192     -6.378466      2.503902
  H      -2.363651     -6.913027      1.163763
  C      -0.412639     -2.326437      1.206613
  C      -1.772499     -2.372004      1.909324
  C      -2.901195     -1.762130      1.059579
  C      -2.782010     -0.243049      0.859312
  C      -4.043804      0.328923      0.270298
  C      -5.169134      0.549228      1.080047
  C      -6.364555      1.016931      0.541617
  C      -6.483424      1.288016     -0.833623
  C      -7.753314      1.784184     -1.406925
  C      -7.758717      2.708349     -2.466523
  C      -8.957321      3.174345     -3.005999
  C     -10.179632      2.726754     -2.498466
  C     -10.190677      1.808579     -1.445681
  C      -8.991611      1.343117     -0.906811
  C      -5.354531      1.072604     -1.642615
  C      -4.160328      0.600398     -1.099446
  C      -6.908719     -2.653859      2.984493
  C      -6.143442     -3.231299      4.181749
  C      -7.109587     -3.798276      5.234101
  C      -6.389780     -4.347783      6.473048
  C      -7.318063     -5.042017      7.430753
  C      -7.900286     -6.271114      7.088651
  C      -8.783855     -6.915445      7.948485
  C      -9.114246     -6.361959      9.197087
  C     -10.018081     -7.067285     10.130942
  C     -10.049384     -8.472463     10.185078
  C     -10.898015     -9.140697     11.068793
  C     -11.733880     -8.418485     11.923696
  C     -11.708988     -7.022817     11.886779
  C     -10.861996     -6.355780     11.001387
  C      -8.531834     -5.130737      9.538391
  C      -7.655322     -4.484951      8.669320
  C      -0.400873     -5.437509      6.972803
  C      -1.785617     -4.848130      6.680351
  C      -2.781338     -5.023007      7.849534
  C      -3.097890     -6.449962      8.318450
  C      -4.091843     -6.500132      9.457471
  C      -3.922300     -5.727674     10.616148
  C      -4.860134     -5.757083     11.645886
  C      -6.003782     -6.571067     11.566975
  C      -7.030601     -6.555606     12.632481
  C      -7.741873     -7.717004     12.977445
  C      -8.719623     -7.691733     13.971476
  C      -9.011037     -6.502415     14.644418
  C      -8.317621     -5.337497     14.309341
  C      -7.339618     -5.363620     13.314256
  C      -6.155661     -7.371116     10.424576
  C      -5.222716     -7.326001      9.389592
  H       0.349851     -2.846918      1.803803
  H      -0.090383     -1.283734      1.083551
  H      -0.444365     -2.779556      0.204655
  H      -1.700213     -1.765480      2.824501
  H      -3.851318     -1.968955      1.578117
  H      -2.959714     -2.256219      0.075210
  H      -1.924311     -0.005323      0.211058
  H      -2.588215      0.221721      1.840938
  H      -5.101338      0.354285      2.153846
  H      -7.214646      1.202418      1.201477
  H      -6.810168      3.083772     -2.854246
  H      -8.936367      3.898612     -3.822204
  H     -11.117674      3.091262     -2.920215
  H     -11.139038      1.445388     -1.046239
  H      -9.011277      0.607581     -0.100910
  H      -5.421168      1.254731     -2.717247
  H      -3.300531      0.431382     -1.753484
  H      -7.541882     -3.406325      2.488227
  H      -6.210101     -2.243145      2.242858
  H      -7.571320     -1.842323      3.321218
  H      -5.582883     -2.408420      4.649576
  H      -7.726948     -4.593358      4.781262
  H      -7.810876     -3.002607      5.534732
  H      -5.859696     -3.527459      6.981972
  H      -5.610129     -5.051709      6.136834
  H      -7.656389     -6.725677      6.125558
  H      -9.236010     -7.860271      7.645606
  H      -9.382315     -9.047125      9.541217
  H     -10.899806    -10.231718     11.098062
  H     -12.396749     -8.939612     12.617962
  H     -12.359585     -6.449753     12.549391
  H     -10.865288     -5.265567     10.967877
  H      -8.737057     -4.696286     10.517491
  H      -7.202136     -3.537071      8.967720
  H       0.299920     -5.200732      6.160118
  H      -0.005236     -4.999244      7.899580
  H      -0.414709     -6.528145      7.103677
  H      -1.655267     -3.760899      6.589287
  H      -2.380687     -4.448047      8.700768
  H      -3.720943     -4.527064      7.561973
  H      -2.163555     -6.948983      8.629953
  H      -3.509715     -7.043113      7.488385
  H      -3.040078     -5.092126     10.721061
  H      -4.694679     -5.150409     12.538454
  H      -7.516059     -8.654362     12.465243
  H      -9.262050     -8.605868     14.217167
  H      -9.780184     -6.482222     15.419413
  H      -8.545613     -4.399039     14.819654
  H      -6.821236     -4.442652     13.040740
  H      -7.042239     -7.998486     10.322326
  H      -5.387037     -7.929924      8.493954
  N      -3.072206     -2.523497      4.822190
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874758479010
  N      -2.133404     -3.700296      2.389373
  C      -2.104150     -4.731409      1.354124
  C      -2.217647     -6.126305      1.959066
  N      -3.317075     -6.183040      2.928626
  C      -4.657527     -6.172419      2.336372
  C      -5.646961     -5.479956      3.268764
  N      -5.109136     -4.217189      3.775511
  Mo     -3.153213     -4.009495      4.075923
  N      -2.323082     -5.268198      5.377290
  C      -2.084232     -6.664338      5.003873
  C      -3.128184     -7.158988      4.005996
  H      -2.127409     -7.327009      5.882313
  H      -1.066771     -6.789440      4.583325
  H      -4.090098     -7.264524      4.529413
  H      -2.848012     -8.157046      3.614009
  H      -6.580611     -5.312515      2.706012
  H      -5.913589     -6.158359      4.104740
  H      -4.601273     -5.600373      1.399419
  H      -5.006825     -7.193949      2.087059
  H      -1.159006     -4.690786      0.786060
  H      -2.912660     -4.572694      0.612056
  H      -1.289232     -6.350209      2.504289
  H      -2.329334     -6.886416      1.160318
  C      -0.403499     -2.288600      1.230784
  C      -1.766380     -2.346548      1.927687
  C      -2.894136     -1.742194      1.071932
  C      -2.784131     -0.221561      0.874934
  C      -4.046885      0.340904      0.278255
  C      -5.177530      0.553115      1.081831
  C      -6.374415      1.008956      0.536422
  C      -6.489263      1.274856     -0.839991
  C      -7.761835      1.756022     -1.420958
  C      -7.771023      2.673239     -2.487034
  C      -8.971381      3.125559     -3.034499
  C     -10.191969      2.671084     -2.528522
  C     -10.199128      1.759701     -1.469389
  C      -8.998527      1.307679     -0.922627
  C      -5.354641      1.068141     -1.642673
  C      -4.158754      0.608671     -1.092194
  C      -6.894150     -2.663788      2.974176
  C      -6.136814     -3.236824      4.178245
  C      -7.108818     -3.807711      5.223525
  C      -6.397337     -4.361711      6.465013
  C      -7.341588     -5.027679      7.428696
  C      -7.949774     -6.247929      7.097589
  C      -8.838229     -6.870833      7.967705
  C      -9.148881     -6.303317      9.216326
  C     -10.050621     -6.992527     10.164123
  C     -10.097987     -8.397057     10.221158
  C     -10.942484     -9.052638     11.116612
  C     -11.758356     -8.318270     11.980520
  C     -11.719033     -6.922851     11.939514
  C     -10.876210     -6.268554     11.042238
  C      -8.544500     -5.079613      9.544783
  C      -7.662443     -4.454580      8.665052
  C      -0.397617     -5.437011      6.992240
  C      -1.777806     -4.844224      6.688451
  C      -2.781533     -5.024918      7.845452
  C      -3.140653     -6.457175      8.259854
  C      -4.114862     -6.524217      9.414660
  C      -3.935027     -5.760991     10.578097
  C      -4.857601     -5.806318     11.620332
  C      -5.996339     -6.627872     11.549439
  C      -7.012859     -6.625732     12.622933
  C      -7.718325     -7.793060     12.962237
  C      -8.689334     -7.779641     13.962312
  C      -8.979448     -6.597463     14.647078
  C      -8.290946     -5.427521     14.318765
  C      -7.319849     -5.441864     13.317492
  C      -6.156232     -7.420303     10.402489
  C      -5.239128     -7.359089      9.355868
  H       0.360133     -2.803833      1.831119
  H      -0.088605     -1.242892      1.110872
  H      -0.426721     -2.740788      0.228130
  H      -1.702733     -1.741730      2.844423
  H      -3.845270     -1.957292      1.584328
  H      -2.942097     -2.235484      0.086374
  H      -1.924715      0.023381      0.232393
  H      -2.599702      0.243368      1.857994
  H      -5.112909      0.361761      2.156223
  H      -7.229203      1.188914      1.191292
  H      -6.823923      3.054119     -2.873601
  H      -8.953476      3.844621     -3.855724
  H     -11.131336      3.025111     -2.956406
  H     -11.146431      1.391107     -1.071256
  H      -9.015152      0.577032     -0.111756
  H      -5.418346      1.246499     -2.717899
  H      -3.294198      0.446077     -1.741029
  H      -7.517812     -3.420606      2.473599
  H      -6.191588     -2.250034      2.237583
  H      -7.563060     -1.854958      3.304492
  H      -5.581165     -2.412517      4.648746
  H      -7.725751     -4.600048      4.766553
  H      -7.809146     -3.010767      5.522606
  H      -5.851591     -3.548175      6.967755
  H      -5.632400     -5.084764      6.133951
  H      -7.718748     -6.714653      6.136451
  H      -9.309230     -7.810206      7.674474
  H      -9.445935     -8.982075      9.570212
  H     -10.956282    -10.143493     11.148124
  H     -12.418622     -8.829383     12.683528
  H     -12.355344     -6.340171     12.608145
  H     -10.869114     -5.178150     11.005844
  H      -8.733610     -4.635026     10.522988
  H      -7.188674     -3.513494      8.954104
  H       0.311314     -5.200044      6.185991
  H      -0.009489     -5.001066      7.924051
  H      -0.415404     -6.528000      7.120805
  H      -1.644483     -3.756683      6.601995
  H      -2.361496     -4.491996      8.714618
  H      -3.704185     -4.490825      7.573741
  H      -2.220253     -7.003809      8.531412
  H      -3.587182     -6.996736      7.411032
  H      -3.058914     -5.116053     10.674638
  H      -4.686296     -5.203896     12.514570
  H      -7.492354     -8.725156     12.441701
  H      -9.226400     -8.697777     14.204867
  H      -9.743524     -6.586405     15.426431
  H      -8.518395     -4.494780     14.838523
  H      -6.805775     -4.517021     13.049378
  H      -7.041832     -8.049606     10.305287
  H      -5.412578     -7.954320      8.456185
  N      -3.066723     -2.519259      4.841154
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874834478452
  N      -2.135089     -3.695793      2.398003
  C      -2.096242     -4.727085      1.363666
  C      -2.200776     -6.122470      1.967849
  N      -3.301183     -6.185346      2.936207
  C      -4.640043     -6.185014      2.339636
  C      -5.636554     -5.502178      3.271340
  N      -5.111610     -4.235403      3.778896
  Mo     -3.156793     -4.013547      4.081958
  N      -2.315225     -5.265559      5.383621
  C      -2.071530     -6.660605      5.013856
  C      -3.109180     -7.162330      4.013396
  H      -2.112738     -7.322157      5.894607
  H      -1.054184     -6.782255      4.592785
  H      -4.072493     -7.274914      4.531893
  H      -2.819205     -8.157548      3.621081
  H      -6.570831     -5.341995      2.707098
  H      -5.899142     -6.183096      4.106684
  H      -4.585921     -5.609796      1.404442
  H      -4.979482     -7.209043      2.087235
  H      -1.150130     -4.679427      0.797939
  H      -2.904685     -4.574080      0.620248
  H      -1.271750     -6.341055      2.513928
  H      -2.307960     -6.883330      1.169745
  C      -0.409221     -2.275557      1.245771
  C      -1.774188     -2.340272      1.938626
  C      -2.901055     -1.740262      1.078562
  C      -2.790243     -0.219740      0.877154
  C      -4.051575      0.343133      0.277554
  C      -5.181327      0.560886      1.080318
  C      -6.376885      1.018583      0.533547
  C      -6.491005      1.280187     -0.843595
  C      -7.762218      1.764091     -1.425754
  C      -7.767840      2.676929     -2.496099
  C      -8.966330      3.132989     -3.044757
  C     -10.188634      2.686932     -2.535515
  C     -10.199234      1.779914     -1.472171
  C      -9.000654      1.323948     -0.924345
  C      -5.357443      1.066997     -1.645631
  C      -4.162825      0.606175     -1.093541
  C      -6.898349     -2.690468      2.971643
  C      -6.145948     -3.262718      4.179059
  C      -7.120538     -3.841317      5.217871
  C      -6.411881     -4.398725      6.458936
  C      -7.360495     -5.055992      7.424398
  C      -8.000919     -6.258881      7.088289
  C      -8.889164     -6.872337      7.965443
  C      -9.170096     -6.311494      9.224731
  C     -10.074931     -6.993036     10.174786
  C     -10.152146     -8.396808     10.210220
  C     -11.001706     -9.047254     11.103350
  C     -11.792672     -8.308900     11.987218
  C     -11.723411     -6.914134     11.968145
  C     -10.876678     -6.264771     11.071756
  C      -8.533497     -5.105784      9.557986
  C      -7.649430     -4.491242      8.671920
  C      -0.384379     -5.428574      6.990457
  C      -1.762661     -4.832012      6.687657
  C      -2.759227     -5.006456      7.848997
  C      -3.139260     -6.438338      8.241221
  C      -4.110224     -6.508878      9.398551
  C      -3.929269     -5.747161     10.562822
  C      -4.848213     -5.795478     11.607544
  C      -5.985762     -6.617837     11.538352
  C      -6.997482     -6.617781     12.615371
  C      -7.705373     -7.785262     12.951080
  C      -8.672254     -7.774184     13.954522
  C      -8.955648     -6.594725     14.646497
  C      -8.263796     -5.425212     14.323067
  C      -7.297126     -5.437161     13.318122
  C      -6.148789     -7.406884     10.388293
  C      -5.234567     -7.343339      9.339627
  H       0.353743     -2.789801      1.848169
  H      -0.096718     -1.228268      1.129222
  H      -0.427521     -2.726034      0.241892
  H      -1.716461     -1.734890      2.855539
  H      -3.852767     -1.954646      1.590053
  H      -2.946763     -2.237309      0.094416
  H      -1.929786      0.022506      0.235545
  H      -2.606741      0.247621      1.859126
  H      -5.116874      0.372815      2.155091
  H      -7.231134      1.203279      1.187398
  H      -6.819069      3.051372     -2.885083
  H      -8.945610      3.848565     -3.869322
  H     -11.126587      3.044067     -2.964028
  H     -11.148221      1.417791     -1.071624
  H      -9.020004      0.596849     -0.109918
  H      -5.421331      1.241934     -2.721264
  H      -3.298700      0.438867     -1.741349
  H      -7.515085     -3.449738      2.467230
  H      -6.192963     -2.273573      2.239646
  H      -7.571576     -1.884213      3.298937
  H      -5.596395     -2.437389      4.654640
  H      -7.734645     -4.632357      4.756170
  H      -7.822558     -3.046528      5.517588
  H      -5.860659     -3.588792      6.961282
  H      -5.650918     -5.125773      6.127914
  H      -7.795858     -6.719708      6.118122
  H      -9.386868     -7.797736      7.669407
  H      -9.518915     -8.986214      9.543984
  H     -11.038646    -10.137930     11.118283
  H     -12.456542     -8.816496     12.688916
  H     -12.338477     -6.328096     12.654200
  H     -10.846962     -5.174228     11.052478
  H      -8.698096     -4.666931     10.543479
  H      -7.148005     -3.565381      8.963806
  H       0.320483     -5.207436      6.176213
  H       0.012341     -4.981887      7.913735
  H      -0.408312     -6.517449      7.134949
  H      -1.627118     -3.745350      6.592815
  H      -2.321292     -4.492371      8.720413
  H      -3.675197     -4.452870      7.591189
  H      -2.227466     -7.005560      8.500378
  H      -3.595452     -6.954519      7.382372
  H      -3.055792     -5.098732     10.656474
  H      -4.675778     -5.193747     12.502119
  H      -7.483707     -8.715292     12.425446
  H      -9.211667     -8.691845     14.194296
  H      -9.716705     -6.585616     15.428355
  H      -8.486135     -4.494734     14.848639
  H      -6.781301     -4.512409     13.053059
  H      -7.036405     -8.033431     10.290802
  H      -5.411088     -7.935007      8.437930
  N      -3.080823     -2.524337      4.848571
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874892208080
  N      -2.121922     -3.688120      2.396546
  C      -2.077958     -4.717278      1.360121
  C      -2.172553     -6.114174      1.963095
  N      -3.270717     -6.185982      2.932974
  C      -4.610920     -6.191735      2.339506
  C      -5.610277     -5.517808      3.274839
  N      -5.092724     -4.247641      3.782959
  Mo     -3.138750     -4.013596      4.081538
  N      -2.287845     -5.261745      5.381203
  C      -2.034790     -6.654637      5.008326
  C      -3.070706     -7.161621      4.008934
  H      -2.069826     -7.317891      5.887943
  H      -1.017139     -6.768403      4.585725
  H      -4.032920     -7.280512      4.528060
  H      -2.774925     -8.154956      3.616050
  H      -6.547278     -5.363388      2.713616
  H      -5.865594     -6.202023      4.109462
  H      -4.561764     -5.613703      1.405819
  H      -4.944796     -7.217222      2.085197
  H      -1.133074     -4.663016      0.792978
  H      -2.887903     -4.568837      0.617517
  H      -1.241093     -6.327295      2.507131
  H      -2.276234     -6.874539      1.163825
  C      -0.401841     -2.257048      1.247520
  C      -1.766655     -2.330306      1.940240
  C      -2.896691     -1.734200      1.081467
  C      -2.790544     -0.214409      0.876256
  C      -4.056669      0.343893      0.282398
  C      -5.183168      0.560844      1.090495
  C      -6.382892      1.013293      0.548443
  C      -6.504886      1.270601     -0.828964
  C      -7.780579      1.748397     -1.406004
  C      -7.795376      2.657044     -2.479498
  C      -8.998348      3.106624     -3.023389
  C     -10.216284      2.658146     -2.506246
  C     -10.217884      1.755382     -1.439700
  C      -9.014696      1.305920     -0.896617
  C      -5.374412      1.058897     -1.636098
  C      -4.175673      0.602889     -1.088937
  C      -6.881606     -2.710369      2.967799
  C      -6.135444     -3.281148      4.179885
  C      -7.115243     -3.865616      5.210157
  C      -6.416398     -4.413140      6.460921
  C      -7.372393     -5.055262      7.430298
  C      -8.024121     -6.254253      7.101668
  C      -8.917287     -6.854908      7.982858
  C      -9.192243     -6.284623      9.239147
  C     -10.103706     -6.952567     10.192641
  C     -10.197661     -8.355314     10.233041
  C     -11.054610     -8.993096     11.128718
  C     -11.835860     -8.242866     12.010966
  C     -11.748600     -6.849071     11.988073
  C     -10.895225     -6.212264     11.088553
  C      -8.545743     -5.081993      9.564646
  C      -7.656898     -4.480014      8.674738
  C      -0.362173     -5.426548      6.995299
  C      -1.739510     -4.829895      6.687172
  C      -2.743435     -5.008056      7.842229
  C      -3.133733     -6.440743      8.220908
  C      -4.106390     -6.514867      9.376535
  C      -3.923765     -5.764664     10.547683
  C      -4.845867     -5.817166     11.590045
  C      -5.988533     -6.631233     11.510783
  C      -7.002139     -6.635553     12.586258
  C      -7.719870     -7.801185     12.906569
  C      -8.687482     -7.795205     13.909201
  C      -8.962133     -6.622832     14.616470
  C      -8.260974     -5.454952     14.308129
  C      -7.293639     -5.461605     13.303584
  C      -6.154441     -7.407644     10.352483
  C      -5.236840     -7.340781      9.307104
  H       0.363742     -2.770208      1.847495
  H      -0.094486     -1.207937      1.135360
  H      -0.418120     -2.703572      0.241923
  H      -1.711416     -1.726060      2.857982
  H      -3.846744     -1.950398      1.595358
  H      -2.942765     -2.233770      0.098827
  H      -1.934411      0.028131      0.228614
  H      -2.602046      0.256331      1.855813
  H      -5.112696      0.376571      2.165674
  H      -7.234281      1.197459      1.206429
  H      -6.850242      3.033664     -2.874758
  H      -8.984648      3.818944     -3.850569
  H     -11.157744      3.010132     -2.931204
  H     -11.163302      1.391623     -1.032858
  H      -9.027352      0.581821     -0.079790
  H      -5.443796      1.230807     -2.711959
  H      -3.314293      0.436604     -1.740977
  H      -7.484712     -3.473560      2.452730
  H      -6.173369     -2.282017      2.245180
  H      -7.567360     -1.913285      3.291328
  H      -5.593567     -2.454070      4.661254
  H      -7.719264     -4.662008      4.744090
  H      -7.826095     -3.075805      5.502194
  H      -5.866822     -3.598674      6.957871
  H      -5.655112     -5.146419      6.145293
  H      -7.825674     -6.722887      6.133776
  H      -9.424133     -7.777054      7.691669
  H      -9.571859     -8.954347      9.568871
  H     -11.104277    -10.083378     11.146837
  H     -12.504673     -8.740467     12.715397
  H     -12.354570     -6.253205     12.673451
  H     -10.852043     -5.122196     11.066446
  H      -8.705887     -4.635341     10.547516
  H      -7.148860     -3.555963      8.961953
  H       0.344731     -5.210433      6.181422
  H       0.032945     -4.975683      7.916957
  H      -0.388182     -6.514823      7.145155
  H      -1.603833     -3.743049      6.594603
  H      -2.308836     -4.502432      8.720345
  H      -3.655072     -4.449372      7.582148
  H      -2.226776     -7.017959      8.474912
  H      -3.592682     -6.944055      7.355788
  H      -3.046753     -5.122446     10.649670
  H      -4.670935     -5.225081     12.490530
  H      -7.506138     -8.726197     12.368972
  H      -9.235139     -8.711248     14.135879
  H      -9.724010     -6.617723     15.397610
  H      -8.476245     -4.529522     14.845443
  H      -6.771248     -4.537134     13.050828
  H      -7.046215     -8.027059     10.246589
  H      -5.415562     -7.922478      8.399239
  N      -3.069346     -2.524373      4.849272
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874933090857
  N      -2.130815     -3.682024      2.397871
  C      -2.086243     -4.709710      1.359388
  C      -2.180040     -6.107419      1.961917
  N      -3.274912     -6.179952      2.934543
  C      -4.617755     -6.182148      2.345858
  C      -5.615876     -5.511883      3.285637
  N      -5.097326     -4.242880      3.797436
  Mo     -3.142326     -4.007841      4.085600
  N      -2.286779     -5.255515      5.383592
  C      -2.031927     -6.647668      5.006215
  C      -3.072444     -7.153676      4.011207
  H      -2.060960     -7.312442      5.884395
  H      -1.015652     -6.758743      4.579420
  H      -4.033454     -7.270612      4.534084
  H      -2.780034     -8.148535      3.619339
  H      -6.554148     -5.355757      2.726900
  H      -5.869765     -6.199002      4.117882
  H      -4.570291     -5.601579      1.413688
  H      -4.953335     -7.206719      2.089130
  H      -1.141509     -4.654689      0.792052
  H      -2.895247     -4.561562      0.615875
  H      -1.246836     -6.321455      2.502509
  H      -2.286886     -6.866645      1.161720
  C      -0.405497     -2.251642      1.253678
  C      -1.772436     -2.324349      1.942584
  C      -2.899694     -1.728686      1.079797
  C      -2.787959     -0.211478      0.863673
  C      -4.053135      0.347902      0.268594
  C      -5.178531      0.574767      1.076071
  C      -6.377292      1.026785      0.531397
  C      -6.499938      1.273632     -0.848018
  C      -7.774985      1.748877     -1.428125
  C      -7.789956      2.647111     -2.510130
  C      -8.992919      3.092386     -3.057260
  C     -10.210900      2.650076     -2.535021
  C     -10.212523      1.758072     -1.459861
  C      -9.009101      1.312837     -0.913633
  C      -5.370364      1.052833     -1.654244
  C      -4.172503      0.597254     -1.104658
  C      -6.882688     -2.697869      2.987205
  C      -6.140131     -3.277052      4.197014
  C      -7.122875     -3.865677      5.221223
  C      -6.429480     -4.409815      6.476141
  C      -7.386551     -5.053317      7.443592
  C      -8.046026     -6.245992      7.108528
  C      -8.938963     -6.849726      7.987891
  C      -9.206927     -6.288021      9.249627
  C     -10.121836     -6.955781     10.200757
  C     -10.229905     -8.358320     10.233411
  C     -11.088701     -8.993787     11.129826
  C     -11.857510     -8.241649     12.021219
  C     -11.755740     -6.848354     12.006291
  C     -10.900917     -6.213809     11.106077
  C      -8.551871     -5.091502      9.582285
  C      -7.662563     -4.487351      8.694219
  C      -0.353045     -5.411886      6.989426
  C      -1.735899     -4.824027      6.688269
  C      -2.734467     -5.011698      7.848204
  C      -3.107040     -6.449005      8.231202
  C      -4.079461     -6.528496      9.385512
  C      -3.891917     -5.791798     10.564350
  C      -4.818002     -5.845283     11.603968
  C      -5.968249     -6.647197     11.513526
  C      -6.987019     -6.651192     12.584579
  C      -7.715684     -7.813348     12.892502
  C      -8.691274     -7.806524     13.887410
  C      -8.963055     -6.636725     14.600223
  C      -8.250049     -5.472434     14.304961
  C      -7.274868     -5.479724     13.307714
  C      -6.137842     -7.411745     10.348050
  C      -5.217101     -7.343511      9.305878
  H       0.358331     -2.767229      1.853713
  H      -0.097363     -1.202347      1.145861
  H      -0.418964     -2.695007      0.246731
  H      -1.719066     -1.719213      2.859701
  H      -3.850669     -1.939050      1.594338
  H      -2.946737     -2.234850      0.100780
  H      -1.932989      0.022266      0.210865
  H      -2.593656      0.267065      1.838483
  H      -5.107862      0.399007      2.152769
  H      -7.227450      1.218769      1.189006
  H      -6.844919      3.019100     -2.909813
  H      -8.979295      3.796351     -3.891364
  H     -11.152344      2.998518     -2.962889
  H     -11.157905      1.399608     -1.048652
  H      -9.022169      0.596589     -0.090144
  H      -5.439241      1.216788     -2.731460
  H      -3.312259      0.423689     -1.756556
  H      -7.475761     -3.459925      2.458827
  H      -6.174207     -2.254778      2.273787
  H      -7.578506     -1.910997      3.313724
  H      -5.597875     -2.453175      4.683741
  H      -7.721502     -4.664461      4.752121
  H      -7.838816     -3.079209      5.509357
  H      -5.884917     -3.593164      6.975264
  H      -5.664663     -5.140816      6.164929
  H      -7.856419     -6.709016      6.136085
  H      -9.450548     -7.766704      7.689004
  H      -9.612589     -8.959297      9.563420
  H     -11.148643    -10.084013     11.140665
  H     -12.526692     -8.737364     12.726811
  H     -12.350121     -6.249808     12.699067
  H     -10.846376     -5.123898     11.091497
  H      -8.704706     -4.652275     10.569678
  H      -7.148044     -3.569218      8.988448
  H       0.347327     -5.194688      6.170241
  H       0.045443     -4.956243      7.907112
  H      -0.373292     -6.499955      7.142601
  H      -1.608949     -3.736032      6.597691
  H      -2.304166     -4.501283      8.725787
  H      -3.653247     -4.463280      7.589990
  H      -2.193075     -7.014275      8.485996
  H      -3.560516     -6.959941      7.368016
  H      -3.008551     -5.159631     10.675341
  H      -4.639152     -5.263316     12.510326
  H      -7.506757     -8.736436     12.349468
  H      -9.248542     -8.719683     14.102468
  H      -9.731630     -6.630656     15.374874
  H      -8.461994     -4.548697     14.846801
  H      -6.744633     -4.556780     13.065163
  H      -7.033635     -8.023058     10.234068
  H      -5.398911     -7.915930      8.392668
  N      -3.065265     -2.518555      4.853279
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874909256594
  N      -2.143404     -3.673210      2.399969
  C      -2.099517     -4.700574      1.361056
  C      -2.188655     -6.098763      1.963101
  N      -3.278066     -6.172494      2.941540
  C      -4.624181     -6.175990      2.359488
  C      -5.619828     -5.510169      3.305185
  N      -5.102690     -4.241653      3.819231
  Mo     -3.146246     -4.000685      4.092677
  N      -2.279522     -5.245581      5.386451
  C      -2.023819     -6.637242      5.007432
  C      -3.068999     -7.145423      4.018526
  H      -2.045697     -7.302133      5.885816
  H      -1.009971     -6.745948      4.574373
  H      -4.027034     -7.262653      4.546878
  H      -2.777930     -8.140641      3.626409
  H      -6.560298     -5.354356      2.749845
  H      -5.869945     -6.200141      4.136356
  H      -4.582235     -5.593480      1.428226
  H      -4.958918     -7.200688      2.102037
  H      -1.156361     -4.643172      0.791287
  H      -2.910800     -4.553699      0.619768
  H      -1.252306     -6.312064      2.498461
  H      -2.299174     -6.857633      1.163211
  C      -0.416261     -2.243610      1.258128
  C      -1.784774     -2.315717      1.943705
  C      -2.909412     -1.722101      1.076278
  C      -2.794746     -0.205840      0.853924
  C      -4.056236      0.353202      0.250737
  C      -5.185007      0.585770      1.051426
  C      -6.379844      1.038520      0.498854
  C      -6.495122      1.279805     -0.882109
  C      -7.766064      1.755587     -1.470829
  C      -7.773176      2.648874     -2.557263
  C      -8.972234      3.094573     -3.112622
  C     -10.194091      2.657723     -2.594342
  C     -10.203529      1.770698     -1.514818
  C      -9.003989      1.324974     -0.960424
  C      -5.362281      1.052833     -1.681630
  C      -4.168200      0.597145     -1.124012
  C      -6.892270     -2.692849      3.029247
  C      -6.143223     -3.279683      4.230958
  C      -7.120355     -3.874283      5.257659
  C      -6.423647     -4.421513      6.510000
  C      -7.379014     -5.063796      7.479754
  C      -8.053544     -6.247307      7.141871
  C      -8.945751     -6.848082      8.024074
  C      -9.199204     -6.291730      9.291620
  C     -10.117652     -6.952590     10.244147
  C     -10.244436     -8.353889     10.271405
  C     -11.105078     -8.981610     11.170805
  C     -11.857948     -8.223000     12.070362
  C     -11.739248     -6.830902     12.059390
  C     -10.881982     -6.204153     11.156817
  C      -8.526191     -5.106204      9.628323
  C      -7.636900     -4.505917      8.737617
  C      -0.341627     -5.393646      6.988025
  C      -1.727067     -4.811198      6.689328
  C      -2.722093     -5.003808      7.850612
  C      -3.095215     -6.444402      8.221497
  C      -4.073683     -6.533111      9.369209
  C      -3.886698     -5.813618     10.558883
  C      -4.817771     -5.875087     11.593317
  C      -5.972108     -6.669177     11.486794
  C      -6.996635     -6.680874     12.552093
  C      -7.730402     -7.843996     12.844996
  C      -8.713314     -7.843089     13.832768
  C      -8.987146     -6.678418     14.553344
  C      -8.267651     -5.513824     14.274236
  C      -7.285091     -5.515311     13.284316
  C      -6.140112     -7.418284     10.311042
  C      -5.214520     -7.341503      9.274154
  H       0.345661     -2.759789      1.859961
  H      -0.107276     -1.194191      1.151785
  H      -0.427142     -2.686537      0.250936
  H      -1.733968     -1.709075      2.859946
  H      -3.861707     -1.929967      1.589013
  H      -2.954497     -2.232099      0.099036
  H      -1.937183      0.023595      0.203318
  H      -2.603085      0.277289      1.826870
  H      -5.120231      0.414347      2.129065
  H      -7.232696      1.235467      1.151246
  H      -6.824982      3.016471     -2.954058
  H      -8.952585      3.794667     -3.950145
  H     -11.132468      3.006517     -3.028707
  H     -11.152128      1.416539     -1.106586
  H      -9.023131      0.612559     -0.133389
  H      -5.425244      1.212404     -2.759781
  H      -3.305172      0.419170     -1.770695
  H      -7.481059     -3.453847      2.494935
  H      -6.188965     -2.238024      2.318056
  H      -7.592909     -1.913917      3.364713
  H      -5.597855     -2.458456      4.718944
  H      -7.719909     -4.672155      4.788642
  H      -7.836545     -3.089371      5.549281
  H      -5.875580     -3.607064      7.008906
  H      -5.661297     -5.153991      6.195473
  H      -7.877861     -6.706303      6.164807
  H      -9.468831     -7.757314      7.721477
  H      -9.639013     -8.960493      9.595186
  H     -11.179252    -10.071026     11.176862
  H     -12.529048     -8.712821     12.777713
  H     -12.321167     -6.226628     12.757835
  H     -10.813989     -5.114831     11.146256
  H      -8.665526     -4.672582     10.620126
  H      -7.108747     -3.596821      9.034881
  H       0.355410     -5.176110      6.166045
  H       0.058292     -4.934431      7.903678
  H      -0.358194     -6.481263      7.143745
  H      -1.605688     -3.722563      6.599221
  H      -2.289361     -4.500901      8.731150
  H      -3.640869     -4.451694      7.598009
  H      -2.181708     -7.010870      8.475016
  H      -3.544925     -6.948215      7.352417
  H      -2.999444     -5.189064     10.682661
  H      -4.639722     -5.306016     12.508013
  H      -7.519929     -8.763179     12.295845
  H      -9.274501     -8.756639     14.035883
  H      -9.761635     -6.676593     15.322011
  H      -8.480478     -4.594106     14.822651
  H      -6.749787     -4.591916     13.054545
  H      -7.038456     -8.022878     10.184373
  H      -5.394898     -7.902043      8.353456
  N      -3.065021     -2.511628      4.860250
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874961566069
  N      -2.152334     -3.667177      2.398988
  C      -2.107157     -4.696405      1.362022
  C      -2.188448     -6.094182      1.966194
  N      -3.273601     -6.170350      2.949452
  C      -4.621605     -6.182823      2.372799
  C      -5.617171     -5.520722      3.321012
  N      -5.105314     -4.249011      3.832074
  Mo     -3.149252     -3.995459      4.095634
  N      -2.269125     -5.232069      5.387676
  C      -2.008022     -6.623462      5.011667
  C      -3.054263     -7.139985      4.027925
  H      -2.022650     -7.286931      5.891367
  H      -0.994969     -6.727269      4.575348
  H      -4.008434     -7.261920      4.561302
  H      -2.759386     -8.134244      3.636343
  H      -6.560454     -5.372014      2.768674
  H      -5.860008     -6.211190      4.154322
  H      -4.586832     -5.601436      1.440444
  H      -4.951389     -7.209574      2.117906
  H      -1.166034     -4.635235      0.789217
  H      -2.921931     -4.554241      0.623515
  H      -1.249228     -6.302588      2.498473
  H      -2.298164     -6.855077      1.168146
  C      -0.425713     -2.238199      1.257160
  C      -1.795468     -2.309968      1.939224
  C      -2.918825     -1.719159      1.068809
  C      -2.805324     -0.202584      0.846169
  C      -4.063159      0.354677      0.234256
  C      -5.197298      0.587182      1.027023
  C      -6.387453      1.042349      0.466667
  C      -6.492285      1.286365     -0.914588
  C      -7.757249      1.767889     -1.511395
  C      -7.752689      2.666164     -2.593695
  C      -8.945926      3.118663     -3.156049
  C     -10.173310      2.683551     -2.649140
  C     -10.194288      1.791244     -1.573976
  C      -9.000601      1.338944     -1.012425
  C      -5.354480      1.058263     -1.706496
  C      -4.165186      0.600153     -1.141019
  C      -6.897507     -2.702028      3.050483
  C      -6.147470     -3.292074      4.250490
  C      -7.125321     -3.891669      5.274926
  C      -6.436875     -4.437627      6.533602
  C      -7.400351     -5.074960      7.498472
  C      -8.078451     -6.255943      7.158482
  C      -8.980074     -6.849562      8.036138
  C      -9.238840     -6.289664      9.300851
  C     -10.165730     -6.943024     10.249176
  C     -10.304647     -8.342830     10.275023
  C     -11.173674     -8.963358     11.170410
  C     -11.922527     -8.198859     12.068046
  C     -11.791539     -6.808270     12.058746
  C     -10.926662     -6.188606     11.159254
  C      -8.561055     -5.107576      9.639881
  C      -7.663811     -4.513597      8.753856
  C      -0.326682     -5.372877      6.983788
  C      -1.713888     -4.793130      6.687678
  C      -2.707341     -4.985712      7.849924
  C      -3.084838     -6.426599      8.214329
  C      -4.062737     -6.521977      9.362504
  C      -3.866811     -5.818956     10.560530
  C      -4.790190     -5.894173     11.600420
  C      -5.946034     -6.686212     11.491609
  C      -6.960047     -6.713907     12.567009
  C      -7.688696     -7.881637     12.853193
  C      -8.659681     -7.895099     13.852987
  C      -8.926877     -6.739995     14.591622
  C      -8.211789     -5.571141     14.319901
  C      -7.240489     -5.558628     13.318822
  C      -6.124374     -7.417711     10.306437
  C      -5.205309     -7.327776      9.264266
  H       0.334405     -2.753763      1.861583
  H      -0.116256     -1.189090      1.150400
  H      -0.434633     -2.682220      0.250508
  H      -1.747498     -1.702021      2.854875
  H      -3.872584     -1.927942      1.578513
  H      -2.960510     -2.229097      0.091382
  H      -1.943807      0.028089      0.201437
  H      -2.620982      0.280949      1.820198
  H      -5.140584      0.414248      2.104833
  H      -7.244541      1.239825      1.113186
  H      -6.800083      3.032244     -2.981455
  H      -8.917300      3.822881     -3.989878
  H     -11.107133      3.037716     -3.088872
  H     -11.147242      1.438121     -1.174745
  H      -9.028482      0.622926     -0.188732
  H      -5.409492      1.219840     -2.784760
  H      -3.297709      0.422291     -1.781627
  H      -7.479383     -3.463634      2.509286
  H      -6.194756     -2.238118      2.344604
  H      -7.604575     -1.929835      3.389474
  H      -5.604814     -2.471186      4.742353
  H      -7.720299     -4.690604      4.801631
  H      -7.845961     -3.108980      5.562830
  H      -5.890847     -3.622361      7.033486
  H      -5.672972     -5.174024      6.230462
  H      -7.898325     -6.718489      6.184135
  H      -9.505156     -7.756976      7.732320
  H      -9.702915     -8.954192      9.599832
  H     -11.257935    -10.051739     11.174980
  H     -12.600159     -8.683386     12.772642
  H     -12.368863     -6.199537     12.756884
  H     -10.848849     -5.100221     11.149841
  H      -8.704700     -4.671187     10.629621
  H      -7.133988     -3.606135      9.053254
  H       0.367368     -5.156610      6.159014
  H       0.075581     -4.909846      7.896572
  H      -0.340181     -6.459789      7.142821
  H      -1.594201     -3.704512      6.596244
  H      -2.273888     -4.485818      8.731519
  H      -3.624811     -4.431377      7.598690
  H      -2.172090     -6.996274      8.463451
  H      -3.536815     -6.924064      7.342805
  H      -2.975961     -5.200154     10.688168
  H      -4.604170     -5.339531     12.522300
  H      -7.482457     -8.793510     12.290134
  H      -9.216872     -8.811907     14.050891
  H      -9.692499     -6.749095     15.369310
  H      -8.419259     -4.658788     14.882840
  H      -6.707636     -4.632318     13.095815
  H      -7.025208     -8.018934     10.176700
  H      -5.391979     -7.876557      8.337971
  N      -3.075085     -2.503502      4.858269
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874974299837
  N      -2.148315     -3.672184      2.400377
  C      -2.108928     -4.700168      1.361891
  C      -2.191007     -6.098508      1.964674
  N      -3.274332     -6.174394      2.950009
  C      -4.623349     -6.185643      2.376424
  C      -5.616177     -5.520614      3.325534
  N      -5.100372     -4.249411      3.833194
  Mo     -3.143955     -4.000382      4.097779
  N      -2.265820     -5.240488      5.387334
  C      -2.004461     -6.630750      5.008098
  C      -3.053051     -7.145437      4.026068
  H      -2.017145     -7.296211      5.886146
  H      -0.992186     -6.733074      4.569629
  H      -4.006048     -7.267731      4.561599
  H      -2.759497     -8.138992      3.631925
  H      -6.560020     -5.370669      2.774398
  H      -5.858753     -6.209140      4.160228
  H      -4.589494     -5.605256      1.443401
  H      -4.955309     -7.212101      2.123129
  H      -1.169861     -4.640202      0.785743
  H      -2.926207     -4.555551      0.626687
  H      -1.250975     -6.308998      2.494765
  H      -2.303393     -6.858338      1.165915
  C      -0.424380     -2.242819      1.254748
  C      -1.792531     -2.314806      1.940461
  C      -2.918679     -1.723333      1.074067
  C      -2.807444     -0.206131      0.855289
  C      -4.066724      0.351161      0.246330
  C      -5.200142      0.580314      1.041420
  C      -6.391848      1.035180      0.483936
  C      -6.498947      1.282406     -0.896620
  C      -7.765482      1.763652     -1.490317
  C      -7.763815      2.664973     -2.569901
  C      -8.958507      3.117152     -3.129427
  C     -10.184375      2.678668     -2.622309
  C     -10.202451      1.783364     -1.549794
  C      -9.007344      1.331385     -0.991050
  C      -5.361853      1.057768     -1.690877
  C      -4.171096      0.599733     -1.128314
  C      -6.884026     -2.699428      3.034688
  C      -6.141209     -3.285955      4.241227
  C      -7.125453     -3.878117      5.262350
  C      -6.440203     -4.426207      6.520420
  C      -7.406131     -5.062525      7.483591
  C      -8.080194     -6.245585      7.143672
  C      -8.980154     -6.841902      8.021202
  C      -9.239976     -6.283710      9.285978
  C     -10.160221     -6.944107     10.236117
  C     -10.291032     -8.344586     10.258610
  C     -11.154403     -8.972698     11.154923
  C     -11.905201     -8.215184     12.056973
  C     -11.781505     -6.823974     12.051790
  C     -10.922566     -6.196626     11.150966
  C      -8.569362     -5.097104      9.623460
  C      -7.674924     -4.499340      8.737026
  C      -0.322628     -5.385904      6.982314
  C      -1.710354     -4.805812      6.688788
  C      -2.703726     -5.000329      7.851850
  C      -3.072386     -6.441163      8.225346
  C      -4.050208     -6.534564      9.374008
  C      -3.862699     -5.816583     10.564508
  C      -4.790811     -5.883160     11.601024
  C      -5.943640     -6.680122     11.495719
  C      -6.964608     -6.696273     12.564789
  C      -7.697684     -7.859713     12.855707
  C      -8.676250     -7.862331     13.848138
  C      -8.946420     -6.700477     14.574719
  C      -8.228340     -5.535087     14.296904
  C      -7.250228     -5.533081     13.302419
  C      -6.113363     -7.426535     10.318860
  C      -5.189499     -7.345474      9.279823
  H       0.337517     -2.758226      1.857254
  H      -0.115277     -1.193874      1.146746
  H      -0.436114     -2.686988      0.248156
  H      -1.742127     -1.707793      2.856620
  H      -3.871376     -1.933922      1.585544
  H      -2.962250     -2.230555      0.095362
  H      -1.946572      0.027317      0.210378
  H      -2.622998      0.274711      1.830793
  H      -5.141526      0.404984      2.118868
  H      -7.248403      1.229789      1.132276
  H      -6.812496      3.033719     -2.957675
  H      -8.932105      3.823687     -3.961136
  H     -11.119341      3.032557     -3.059779
  H     -11.154039      1.427558     -1.150500
  H      -9.032901      0.613093     -0.169552
  H      -5.418904      1.221544     -2.768781
  H      -3.304308      0.424107     -1.770805
  H      -7.467141     -3.461355      2.494965
  H      -6.175648     -2.242835      2.329747
  H      -7.588721     -1.922271      3.366467
  H      -5.598676     -2.464987      4.732643
  H      -7.722889     -4.674890      4.788119
  H      -7.842449     -3.091748      5.548993
  H      -5.892591     -3.612578      7.021079
  H      -5.678148     -5.164087      6.217017
  H      -7.896019     -6.708243      6.170283
  H      -9.501283     -7.752058      7.718528
  H      -9.687918     -8.950299      9.579927
  H     -11.232261    -10.061598     11.157324
  H     -12.578205     -8.705712     12.762477
  H     -12.361459     -6.220931     12.752831
  H     -10.851285     -5.107825     11.143743
  H      -8.714932     -4.661276     10.613224
  H      -7.149088     -3.589259      9.036005
  H       0.371274     -5.165566      6.158554
  H       0.079201     -4.926468      7.896700
  H      -0.334848     -6.473708      7.136819
  H      -1.590169     -3.716988      6.599261
  H      -2.274158     -4.493041      8.731476
  H      -3.624417     -4.453327      7.597523
  H      -2.156296     -7.002932      8.480162
  H      -3.520323     -6.948124      7.356998
  H      -2.976602     -5.190148     10.687259
  H      -4.612445     -5.315655     12.516587
  H      -7.489666     -8.776470     12.301396
  H      -9.236890     -8.776254     14.050005
  H      -9.717766     -6.701299     15.346777
  H      -8.439096     -4.617301     14.849449
  H      -6.715357     -4.609458     13.073341
  H      -7.011585     -8.032421     10.192256
  H      -5.371291     -7.903374      8.357798
  N      -3.068389     -2.509190      4.861869
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874966081617
  N      -2.144873     -3.660394      2.400491
  C      -2.114706     -4.681752      1.355029
  C      -2.188407     -6.083788      1.950388
  N      -3.261545     -6.167856      2.945675
  C      -4.616608     -6.174900      2.386305
  C      -5.600973     -5.516711      3.349042
  N      -5.081067     -4.248931      3.861986
  Mo     -3.122467     -3.997330      4.106013
  N      -2.233540     -5.244430      5.381239
  C      -1.969619     -6.630964      4.987496
  C      -3.028474     -7.142290      4.015285
  H      -1.968857     -7.302576      5.860234
  H      -0.962099     -6.725311      4.536419
  H      -3.975950     -7.265587      4.561151
  H      -2.739855     -8.134862      3.615128
  H      -6.549064     -5.361818      2.806462
  H      -5.836959     -6.211301      4.180276
  H      -4.591799     -5.589012      1.456509
  H      -4.951780     -7.199816      2.130173
  H      -1.181593     -4.617270      0.769811
  H      -2.939325     -4.533771      0.628953
  H      -1.242456     -6.295586      2.469438
  H      -2.307629     -6.838562      1.147631
  C      -0.424003     -2.223179      1.258579
  C      -1.791374     -2.300970      1.945870
  C      -2.919777     -1.710333      1.081595
  C      -2.813211     -0.193106      0.863619
  C      -4.074355      0.359085      0.253605
  C      -5.209918      0.584038      1.047006
  C      -6.403430      1.031452      0.487110
  C      -6.510512      1.274781     -0.894200
  C      -7.779616      1.745500     -1.490870
  C      -7.783146      2.641883     -2.574412
  C      -8.980362      3.082832     -3.137439
  C     -10.203758      2.637877     -2.629998
  C     -10.216738      1.747647     -1.553464
  C      -9.019039      1.306803     -0.991261
  C      -5.370950      1.055318     -1.686537
  C      -4.178275      0.605040     -1.121597
  C      -6.860239     -2.687485      3.077423
  C      -6.120715     -3.287309      4.279253
  C      -7.108213     -3.888514      5.290885
  C      -6.429802     -4.447693      6.547237
  C      -7.405068     -5.077774      7.506262
  C      -8.086215     -6.255071      7.161028
  C      -8.994060     -6.847604      8.032823
  C      -9.256044     -6.290576      9.297910
  C     -10.188881     -6.943898     10.241560
  C     -10.331675     -8.343563     10.264498
  C     -11.206653     -8.964139     11.155222
  C     -11.959143     -8.199671     12.049898
  C     -11.825602     -6.809127     12.042713
  C     -10.953022     -6.189536     11.149428
  C      -8.578717     -5.109082      9.640954
  C      -7.675849     -4.515119      8.760137
  C      -0.295608     -5.409444      6.983787
  C      -1.679064     -4.820767      6.687244
  C      -2.679807     -5.014459      7.844284
  C      -3.074226     -6.453748      8.197601
  C      -4.047026     -6.544881      9.349735
  C      -3.839978     -5.848076     10.549601
  C      -4.767558     -5.907495     11.587335
  C      -5.939407     -6.675272     11.472852
  C      -6.960654     -6.682504     12.541420
  C      -7.722093     -7.831893     12.814738
  C      -8.701485     -7.825484     13.806233
  C      -8.943299     -6.668911     14.550423
  C      -8.197262     -5.517144     14.289643
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  C      -6.127750     -7.402114     10.287130
  C      -5.204359     -7.328487      9.247760
  H       0.340244     -2.738750      1.857816
  H      -0.118140     -1.172947      1.154486
  H      -0.435550     -2.663312      0.250374
  H      -1.741068     -1.696691      2.863582
  H      -3.871340     -1.924520      1.593357
  H      -2.962171     -2.216596      0.102497
  H      -1.953392      0.043109      0.218135
  H      -2.629882      0.289090      1.838712
  H      -5.151658      0.411809      2.125039
  H      -7.261692      1.223031      1.134260
  H      -6.834033      3.015688     -2.962705
  H      -8.958043      3.785507     -3.972399
  H     -11.140654      2.982898     -3.070457
  H     -11.166307      1.387022     -1.153758
  H      -9.040743      0.591932     -0.166804
  H      -5.427387      1.216079     -2.764940
  H      -3.309875      0.432842     -1.762969
  H      -7.432829     -3.445748      2.521487
  H      -6.151217     -2.214004      2.384096
  H      -7.574043     -1.921671      3.415431
  H      -5.576862     -2.472741      4.779538
  H      -7.704584     -4.680677      4.807539
  H      -7.825738     -3.104339      5.581938
  H      -5.876763     -3.640561      7.052387
  H      -5.674470     -5.192607      6.243748
  H      -7.901924     -6.717486      6.187331
  H      -9.520599     -7.752399      7.723318
  H      -9.727902     -8.955053      9.591739
  H     -11.292631    -10.052657     11.157817
  H     -12.642346     -8.683989     12.749762
  H     -12.409778     -6.199719     12.734648
  H     -10.875129     -5.100935     11.140287
  H      -8.725407     -4.674513     10.631240
  H      -7.146361     -3.608673      9.064182
  H       0.402640     -5.189736      6.163173
  H       0.105331     -4.955357      7.901363
  H      -0.314529     -6.497977      7.133987
  H      -1.552080     -3.732048      6.604272
  H      -2.244974     -4.526702      8.732732
  H      -3.589766     -4.448703      7.593790
  H      -2.168226     -7.037828      8.437594
  H      -3.538110     -6.937055      7.324430
  H      -2.939790     -5.243164     10.678591
  H      -4.574438     -5.356529     12.509916
  H      -7.536745     -8.745001     12.246808
  H      -9.284336     -8.728488     13.994136
  H      -9.715212     -6.662305     15.321665
  H      -8.386044     -4.602943     14.855533
  H      -6.662146     -4.609819     13.080356
  H      -7.039264     -7.985504     10.154036
  H      -5.401432     -7.868914      8.318481
  N      -3.038443     -2.510741      4.879180
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.874987173746
  N      -2.161274     -3.648287      2.407507
  C      -2.132108     -4.670647      1.362742
  C      -2.189681     -6.072761      1.959448
  N      -3.250519     -6.161283      2.967486
  C      -4.611387     -6.182221      2.421989
  C      -5.592719     -5.534158      3.395144
  N      -5.080903     -4.261640      3.902441
  Mo     -3.121933     -3.990743      4.122152
  N      -2.204616     -5.225683      5.389607
  C      -1.934880     -6.610821      4.997534
  C      -2.998625     -7.132921      4.036777
  H      -1.919184     -7.281108      5.872053
  H      -0.931769     -6.698407      4.535833
  H      -3.939438     -7.263484      4.591896
  H      -2.705203     -8.123513      3.634813
  H      -6.547804     -5.389579      2.861622
  H      -5.813634     -6.230599      4.228915
  H      -4.601864     -5.595376      1.492336
  H      -4.938296     -7.210390      2.168111
  H      -1.204921     -4.598526      0.769140
  H      -2.964686     -4.530251      0.644261
  H      -1.236417     -6.279118      2.466874
  H      -2.314808     -6.829009      1.159407
  C      -0.446049     -2.207641      1.263533
  C      -1.814549     -2.288240      1.948271
  C      -2.942899     -1.705327      1.079288
  C      -2.836203     -0.189158      0.851864
  C      -4.092953      0.360512      0.230663
  C      -5.232896      0.592212      1.015404
  C      -6.421476      1.040359      0.445653
  C      -6.518977      1.276890     -0.937428
  C      -7.782417      1.749611     -1.544592
  C      -7.775083      2.641364     -2.632327
  C      -8.966769      3.084725     -3.205265
  C     -10.195185      2.647039     -2.703594
  C     -10.218902      1.761482     -1.622935
  C      -9.026763      1.318075     -1.050951
  C      -5.375521      1.049151     -1.721411
  C      -4.187732      0.598768     -1.146432
  C      -6.863578     -2.706286      3.119850
  C      -6.121452     -3.303676      4.321176
  C      -7.106099     -3.905095      5.335743
  C      -6.427002     -4.449497      6.598257
  C      -7.400360     -5.073384      7.562873
  C      -8.094928     -6.245057      7.224875
  C      -9.006807     -6.823952      8.102186
  C      -9.264362     -6.255532      9.363284
  C     -10.218005     -6.883315     10.303388
  C     -10.382198     -8.280401     10.341883
  C     -11.279646     -8.875927     11.226744
  C     -12.035992     -8.088572     12.098592
  C     -11.883134     -6.700162     12.074458
  C     -10.986282     -6.105754     11.188407
  C      -8.568460     -5.083297      9.701142
  C      -7.657613     -4.506663      8.816845
  C      -0.254957     -5.366524      6.978014
  C      -1.645989     -4.792748      6.689599
  C      -2.636689     -5.000992      7.851570
  C      -3.015791     -6.448153      8.189323
  C      -4.006606     -6.559886      9.323671
  C      -3.814299     -5.889179     10.540952
  C      -4.754579     -5.969603     11.565394
  C      -5.925585     -6.732858     11.419513
  C      -6.955134     -6.767134     12.479626
  C      -7.717041     -7.924096     12.719186
  C      -8.702870     -7.943535     13.703995
  C      -8.949990     -6.806085     14.475702
  C      -8.202746     -5.647404     14.249586
  C      -7.218395     -5.628083     13.261791
  C      -6.101794     -7.430868     10.214083
  C      -5.164670     -7.336872      9.188362
  H       0.317449     -2.721875      1.865048
  H      -0.141375     -1.156586      1.159953
  H      -0.454428     -2.648120      0.255130
  H      -1.768732     -1.680530      2.864137
  H      -3.895072     -1.917414      1.590797
  H      -2.983812     -2.217590      0.102928
  H      -1.972500      0.042718      0.210362
  H      -2.658513      0.299367      1.824816
  H      -5.182027      0.425017      2.094459
  H      -7.283363      1.237573      1.085942
  H      -6.821761      3.009339     -3.016189
  H      -8.936085      3.783728     -4.043445
  H     -11.127816      2.993976     -3.151644
  H     -11.172627      1.406488     -1.227674
  H      -9.056575      0.607054     -0.222961
  H      -5.424926      1.204328     -2.800892
  H      -3.315877      0.420485     -1.781078
  H      -7.426677     -3.468810      2.560676
  H      -6.156941     -2.224905      2.429786
  H      -7.585366     -1.947989      3.457559
  H      -5.578934     -2.487055      4.819776
  H      -7.697519     -4.703551      4.857482
  H      -7.828466     -3.122915      5.618859
  H      -5.878266     -3.635312      7.096800
  H      -5.667096     -5.192658      6.303242
  H      -7.922015     -6.712825      6.251649
  H      -9.547035     -7.722147      7.796179
  H      -9.776205     -8.909844      9.687354
  H     -11.381549     -9.963042     11.242247
  H     -12.737926     -8.553755     12.792657
  H     -12.470547     -6.072445     12.747540
  H     -10.893426     -5.018462     11.165646
  H      -8.709492     -4.640663     10.688653
  H      -7.115962     -3.606183      9.115654
  H       0.433665     -5.145957      6.149881
  H       0.149741     -4.902545      7.889051
  H      -0.262447     -6.453908      7.135974
  H      -1.533423     -3.702531      6.605687
  H      -2.203137     -4.516831      8.742258
  H      -3.553769     -4.441135      7.608162
  H      -2.105376     -7.021138      8.439351
  H      -3.458250     -6.930658      7.304471
  H      -2.913926     -5.290372     10.694533
  H      -4.571214     -5.441277     12.503225
  H      -7.526494     -8.822753     12.130075
  H      -9.286696     -8.851376     13.864806
  H      -9.726933     -6.819538     15.241704
  H      -8.395621     -4.747809     14.837351
  H      -6.660549     -4.708578     13.073741
  H      -7.012357     -8.009295     10.056288
  H      -5.350482     -7.857463      8.245359
  N      -3.041616     -2.502137      4.890605
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875041169407
  N      -2.168497     -3.653361      2.403537
  C      -2.143944     -4.679193      1.362138
  C      -2.203408     -6.079335      1.963376
  N      -3.263547     -6.162852      2.972903
  C      -4.624590     -6.184597      2.428585
  C      -5.603373     -5.529910      3.399608
  N      -5.088233     -4.256040      3.900723
  Mo     -3.129022     -3.988001      4.119993
  N      -2.213867     -5.220484      5.390639
  C      -1.945554     -6.607077      5.002909
  C      -3.011073     -7.131456      4.044809
  H      -1.929666     -7.274732      5.879284
  H      -0.942679     -6.696739      4.540821
  H      -3.950943     -7.259477      4.601849
  H      -2.719176     -8.123354      3.645173
  H      -6.559070     -5.386745      2.867213
  H      -5.823463     -6.222450      4.237103
  H      -4.615373     -5.602238      1.496151
  H      -4.953236     -7.213388      2.180066
  H      -1.217882     -4.610931      0.766222
  H      -2.978103     -4.539185      0.645417
  H      -1.250032     -6.285712      2.470654
  H      -2.330147     -6.838052      1.165792
  C      -0.448877     -2.222505      1.254864
  C      -1.817362     -2.295774      1.940026
  C      -2.943981     -1.709948      1.070840
  C      -2.833900     -0.193697      0.845099
  C      -4.088149      0.358758      0.221594
  C      -5.228970      0.592656      1.004440
  C      -6.415226      1.044584      0.432995
  C      -6.509220      1.283392     -0.949943
  C      -7.769738      1.761725     -1.558717
  C      -7.756809      2.656639     -2.643633
  C      -8.945681      3.106034     -3.217670
  C     -10.176736      2.671131     -2.720049
  C     -10.205974      1.782264     -1.642341
  C      -9.016684      1.333025     -1.069090
  C      -5.364899      1.053424     -1.732108
  C      -4.179605      0.598814     -1.155480
  C      -6.867233     -2.694977      3.119449
  C      -6.126566     -3.295461      4.320589
  C      -7.113499     -3.894665      5.335017
  C      -6.436761     -4.451125      6.594243
  C      -7.414007     -5.075094      7.554507
  C      -8.113500     -6.241430      7.208403
  C      -9.027465     -6.822210      8.082175
  C      -9.277556     -6.264412      9.349239
  C     -10.221766     -6.902213     10.291203
  C     -10.393439     -8.298434     10.308100
  C     -11.280382     -8.904024     11.196531
  C     -12.015844     -8.127882     12.095579
  C     -11.853063     -6.740651     12.094810
  C     -10.969123     -6.135898     11.202833
  C      -8.578570     -5.096291      9.694183
  C      -7.669732     -4.514504      8.811742
  C      -0.262333     -5.357459      6.977480
  C      -1.654375     -4.785283      6.689797
  C      -2.644362     -4.991759      7.853141
  C      -3.013660     -6.438434      8.202978
  C      -4.002491     -6.549873      9.339816
  C      -3.815050     -5.868069     10.551658
  C      -4.752344     -5.951174     11.578576
  C      -5.914645     -6.729757     11.441670
  C      -6.943239     -6.765335     12.503102
  C      -7.689165     -7.929242     12.757365
  C      -8.675625     -7.949340     13.741784
  C      -8.940590     -6.804938     14.497133
  C      -8.209046     -5.639367     14.256715
  C      -7.222884     -5.619986     13.270552
  C      -6.084967     -7.439434     10.242486
  C      -5.151529     -7.341730      9.213572
  H       0.312734     -2.737221      1.858190
  H      -0.140308     -1.173285      1.146958
  H      -0.459477     -2.666812      0.248300
  H      -1.768726     -1.686455      2.854688
  H      -3.897139     -1.919751      1.581613
  H      -2.985675     -2.220895      0.093973
  H      -1.967998      0.037369      0.206210
  H      -2.658138      0.293022      1.819254
  H      -5.180618      0.424142      2.083436
  H      -7.277760      1.243534      1.071923
  H      -6.801381      3.022517     -3.024165
  H      -8.910652      3.807596     -4.053371
  H     -11.107156      3.022781     -3.168908
  H     -11.161738      1.429258     -1.250315
  H      -9.050726      0.619703     -0.243449
  H      -5.411806      1.210542     -2.811450
  H      -3.306855      0.419203     -1.788616
  H      -7.434619     -3.454882      2.560654
  H      -6.158597     -2.217000      2.429042
  H      -7.585084     -1.933113      3.458421
  H      -5.582114     -2.480717      4.820310
  H      -7.710800     -4.686862      4.853215
  H      -7.830549     -3.109016      5.623290
  H      -5.882147     -3.643804      7.097450
  H      -5.681920     -5.198148      6.295168
  H      -7.940941     -6.703255      6.232454
  H      -9.569243     -7.717892      7.772420
  H      -9.802883     -8.919393      9.631988
  H     -11.389307     -9.990313     11.194719
  H     -12.708248     -8.601088     12.793876
  H     -12.422484     -6.122386     12.791243
  H     -10.867298     -5.049401     11.199204
  H      -8.715214     -4.662183     10.685961
  H      -7.124381     -3.617991      9.116415
  H       0.426006     -5.135042      6.149601
  H       0.141780     -4.893611      7.888752
  H      -0.267517     -6.444902      7.134450
  H      -1.541903     -3.695297      6.603718
  H      -2.214457     -4.497526      8.739921
  H      -3.564823     -4.440465      7.605569
  H      -2.098728     -7.002391      8.457011
  H      -3.453394     -6.931749      7.322798
  H      -2.920628     -5.258842     10.698986
  H      -4.573397     -5.413371     12.511759
  H      -7.485232     -8.832832     12.180347
  H      -9.246839     -8.862736     13.914094
  H      -9.718641     -6.818851     15.262258
  H      -8.415764     -4.734608     14.831890
  H      -6.677823     -4.695598     13.070329
  H      -6.990333     -8.028142     10.090251
  H      -5.333340     -7.871367      8.275012
  N      -3.048660     -2.496434      4.882805
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875080110153
  N      -2.178044     -3.643154      2.404709
  C      -2.165237     -4.665451      1.359497
  C      -2.207560     -6.067824      1.957202
  N      -3.250860     -6.159780      2.983278
  C      -4.620000     -6.188660      2.460271
  C      -5.588394     -5.541451      3.446774
  N      -5.073271     -4.265814      3.943798
  Mo     -3.113146     -3.984621      4.133610
  N      -2.174468     -5.214177      5.389323
  C      -1.898016     -6.596413      4.991014
  C      -2.975110     -7.127361      4.049988
  H      -1.859658     -7.267551      5.863622
  H      -0.902295     -6.673399      4.511429
  H      -3.904975     -7.260731      4.622409
  H      -2.683927     -8.117306      3.645089
  H      -6.552183     -5.402403      2.927970
  H      -5.792416     -6.237014      4.285626
  H      -4.628210     -5.604870      1.528761
  H      -4.946535     -7.218973      2.215001
  H      -1.249482     -4.590348      0.748708
  H      -3.011907     -4.527755      0.657328
  H      -1.244826     -6.271038      2.447821
  H      -2.343550     -6.824488      1.159070
  C      -0.462001     -2.208649      1.255701
  C      -1.830174     -2.284681      1.941570
  C      -2.958304     -1.701044      1.073006
  C      -2.851073     -0.184855      0.846811
  C      -4.103600      0.363930      0.216662
  C      -5.248723      0.597421      0.993411
  C      -6.432791      1.046676      0.415237
  C      -6.520251      1.282897     -0.968597
  C      -7.778298      1.758439     -1.584615
  C      -7.761041      2.651362     -2.671011
  C      -8.947572      3.097936     -3.252014
  C     -10.180560      2.662131     -2.760080
  C     -10.214112      1.775303     -1.680958
  C      -9.027133      1.328893     -1.100708
  C      -5.371643      1.053252     -1.744671
  C      -4.188556      0.601478     -1.161330
  C      -6.846136     -2.698644      3.164580
  C      -6.112049     -3.306283      4.366296
  C      -7.105384     -3.909198      5.371634
  C      -6.439641     -4.470506      6.634309
  C      -7.428550     -5.084320      7.589798
  C      -8.137814     -6.243675      7.240560
  C      -9.061362     -6.815846      8.110083
  C      -9.311317     -6.256573      9.376437
  C     -10.265769     -6.885346     10.314322
  C     -10.457146     -8.279027     10.325371
  C     -11.354191     -8.875809     11.209721
  C     -12.080303     -8.093283     12.110817
  C     -11.898059     -6.708507     12.115898
  C     -11.004129     -6.112492     11.227712
  C      -8.603422     -5.094566      9.724080
  C      -7.685658     -4.520785      8.845665
  C      -0.220166     -5.353650      6.973848
  C      -1.613516     -4.783114      6.689272
  C      -2.604355     -4.995791      7.851288
  C      -2.978651     -6.444352      8.188222
  C      -3.971283     -6.561907      9.320656
  C      -3.777468     -5.904065     10.544734
  C      -4.720019     -5.989974     11.566744
  C      -5.894771     -6.746433     11.411471
  C      -6.929415     -6.782844     12.466848
  C      -7.698886     -7.936667     12.694193
  C      -8.693289     -7.956121     13.670632
  C      -8.942201     -6.821302     14.445271
  C      -8.186502     -5.665853     14.232305
  C      -7.192900     -5.646897     13.253673
  C      -6.071962     -7.431996     10.199661
  C      -5.132478     -7.332440      9.176496
  H       0.300571     -2.722911      1.858112
  H      -0.155010     -1.158952      1.148794
  H      -0.472369     -2.651802      0.248682
  H      -1.781823     -1.675796      2.856419
  H      -3.911223     -1.912619      1.583584
  H      -2.998797     -2.211800      0.096077
  H      -1.982910      0.047639      0.211399
  H      -2.680567      0.303367      1.821180
  H      -5.205471      0.431436      2.073070
  H      -7.298693      1.245806      1.049619
  H      -6.804220      3.018027     -3.047140
  H      -8.909226      3.797969     -4.088753
  H     -11.109141      3.011520     -3.214469
  H     -11.171347      1.421650     -1.293287
  H      -9.064500      0.617074     -0.274031
  H      -5.413307      1.208376     -2.824534
  H      -3.312321      0.422323     -1.789875
  H      -7.399870     -3.457874      2.591153
  H      -6.134533     -2.206813      2.486946
  H      -7.574840     -1.947253      3.503714
  H      -5.568781     -2.495239      4.873212
  H      -7.700342     -4.698696      4.882382
  H      -7.823696     -3.124021      5.658176
  H      -5.882070     -3.667006      7.140308
  H      -5.689288     -5.224839      6.342028
  H      -7.964972     -6.708042      6.265916
  H      -9.609365     -7.706698      7.797382
  H      -9.874078     -8.905397      9.647902
  H     -11.478076     -9.960496     11.203228
  H     -12.780664     -8.559726     12.805808
  H     -12.460743     -6.084852     12.812973
  H     -10.887643     -5.027454     11.228313
  H      -8.739803     -4.659734     10.715506
  H      -7.134000     -3.629092      9.153458
  H       0.466523     -5.128830      6.145155
  H       0.184623     -4.890298      7.885018
  H      -0.223036     -6.441429      7.129196
  H      -1.502786     -3.692551      6.607286
  H      -2.174719     -4.510217      8.743194
  H      -3.522727     -4.440379      7.606244
  H      -2.066234     -7.013367      8.439702
  H      -3.418118     -6.927910      7.302677
  H      -2.873895     -5.311753     10.705354
  H      -4.536440     -5.471006     12.509624
  H      -7.508132     -8.832991     12.101551
  H      -9.283458     -8.861206     13.821257
  H      -9.726817     -6.834196     15.203627
  H      -8.380606     -4.768093     14.822531
  H      -6.629386     -4.729350     13.074166
  H      -6.986824     -8.001814     10.032766
  H      -5.319921     -7.841689      8.227790
  N      -3.030673     -2.493837      4.898169
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875104740749
  N      -2.197075     -3.639038      2.404030
  C      -2.203996     -4.661769      1.358981
  C      -2.229289     -6.064087      1.958018
  N      -3.251604     -6.157807      3.004854
  C      -4.630028     -6.195063      2.507521
  C      -5.583200     -5.548838      3.509549
  N      -5.064116     -4.270221      3.994939
  Mo     -3.102863     -3.978117      4.148864
  N      -2.139600     -5.201155      5.391342
  C      -1.858792     -6.580790      4.987079
  C      -2.950936     -7.120669      4.069020
  H      -1.795959     -7.251691      5.858201
  H      -0.872551     -6.648703      4.486949
  H      -3.868955     -7.254764      4.660129
  H      -2.663663     -8.110789      3.661796
  H      -6.556649     -5.414708      3.007679
  H      -5.768921     -6.242979      4.353647
  H      -4.657983     -5.614676      1.574342
  H      -4.956220     -7.227772      2.271833
  H      -1.302195     -4.584114      0.728143
  H      -3.066702     -4.527139      0.676240
  H      -1.255956     -6.264961      2.428146
  H      -2.380117     -6.821266      1.163003
  C      -0.481080     -2.212343      1.246637
  C      -1.848629     -2.282779      1.934817
  C      -2.976900     -1.700376      1.065902
  C      -2.868437     -0.184546      0.837841
  C      -4.116818      0.364075      0.199402
  C      -5.265616      0.602404      0.969258
  C      -6.445305      1.053524      0.383501
  C      -6.524522      1.286482     -1.001363
  C      -7.777624      1.764775     -1.625340
  C      -7.751381      2.655408     -2.713396
  C      -8.933200      3.104800     -3.301800
  C     -10.170294      2.674202     -2.815755
  C     -10.212760      1.789789     -1.735033
  C      -9.030494      1.340532     -1.147371
  C      -5.372398      1.051393     -1.770678
  C      -4.193708      0.598009     -1.179732
  C      -6.826642     -2.695681      3.212392
  C      -6.100268     -3.307347      4.416796
  C      -7.100606     -3.908130      5.415782
  C      -6.445422     -4.469856      6.683686
  C      -7.444500     -5.080010      7.630777
  C      -8.151544     -6.239216      7.277173
  C      -9.081915     -6.810423      8.140145
  C      -9.341861     -6.249703      9.403876
  C     -10.304191     -6.876854     10.335186
  C     -10.502631     -8.269600     10.341343
  C     -11.406500     -8.864505     11.220077
  C     -12.132706     -8.081151     12.120485
  C     -11.943574     -6.697337     12.130423
  C     -11.042898     -6.103189     11.247582
  C      -8.637169     -5.086570      9.754939
  C      -7.712061     -4.514258      8.883326
  C      -0.181926     -5.336440      6.972753
  C      -1.577751     -4.770803      6.691054
  C      -2.567805     -4.991039      7.852794
  C      -2.935851     -6.442995      8.182356
  C      -3.935783     -6.568659      9.306917
  C      -3.736707     -5.940709     10.545896
  C      -4.685395     -6.032876     11.561649
  C      -5.872161     -6.765697     11.384372
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  C      -8.164847     -5.712611     14.214746
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  C      -6.056565     -7.418871     10.156050
  C      -5.110405     -7.313242      9.139435
  H       0.280945     -2.725548      1.850580
  H      -0.171829     -1.163851      1.134452
  H      -0.493514     -2.659951      0.241586
  H      -1.797350     -1.670681      2.847253
  H      -3.930054     -1.910315      1.576833
  H      -3.017960     -2.211986      0.089471
  H      -1.996356      0.046419      0.207191
  H      -2.703436      0.305234      1.812388
  H      -5.228546      0.439683      2.049669
  H      -7.314016      1.256991      1.012683
  H      -6.791309      3.018188     -3.084872
  H      -8.887899      3.802980     -4.139696
  H     -11.095201      3.025783     -3.275917
  H     -11.173250      1.440241     -1.351849
  H      -9.074754      0.630691     -0.319385
  H      -5.407875      1.203889     -2.851141
  H      -3.314444      0.415113     -1.803016
  H      -7.368616     -3.455315      2.628260
  H      -6.111006     -2.195156      2.545436
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  H      -5.556085     -2.499504      4.927773
  H      -7.694220     -4.696221      4.922661
  H      -7.819121     -3.121496      5.697499
  H      -5.890615     -3.667274      7.194096
  H      -5.694623     -5.226577      6.399455
  H      -7.970302     -6.705009      6.304742
  H      -9.627276     -7.701648      7.823845
  H      -9.919142     -8.896888      9.665221
  H     -11.535537     -9.948632     11.210207
  H     -12.838330     -8.546308     12.811074
  H     -12.506120     -6.073087     12.827111
  H     -10.921102     -5.018769     11.251913
  H      -8.781074     -4.650781     10.744785
  H      -7.162270     -3.622588      9.194639
  H       0.502636     -5.107619      6.143366
  H       0.222350     -4.872706      7.883933
  H      -0.179674     -6.424480      7.126697
  H      -1.471328     -3.679555      6.611299
  H      -2.141739     -4.507653      8.747803
  H      -3.488414     -4.438966      7.608071
  H      -2.022120     -7.007499      8.438749
  H      -3.366676     -6.925646      7.292133
  H      -2.823398     -5.368084     10.722758
  H      -4.497408     -5.538767     12.516944
  H      -7.515330     -8.844303     12.023805
  H      -9.303058     -8.883074     13.730831
  H      -9.729120     -6.878497     15.150053
  H      -8.350914     -4.824543     14.821908
  H      -6.586872     -4.774397     13.086280
  H      -6.981699     -7.966143      9.971100
  H      -5.302753     -7.796605      8.178154
  N      -3.015117     -2.485044      4.908483
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875119646545
  N      -2.203040     -3.639020      2.403599
  C      -2.216264     -4.662381      1.359187
  C      -2.239684     -6.064347      1.959021
  N      -3.258415     -6.156464      3.009570
  C      -4.638316     -6.195312      2.515950
  C      -5.588453     -5.546539      3.519268
  N      -5.067353     -4.267330      4.001092
  Mo     -3.105762     -3.975299      4.150609
  N      -2.140881     -5.197324      5.392534
  C      -1.859750     -6.576705      4.988061
  C      -2.954520     -7.118268      4.073954
  H      -1.792996     -7.246817      5.859422
  H      -0.875339     -6.643869      4.484221
  H      -3.870988     -7.251132      4.667789
  H      -2.668352     -8.108800      3.666974
  H      -6.563374     -5.412692      3.020250
  H      -5.771890     -6.238829      4.365361
  H      -4.668936     -5.617303      1.581451
  H      -4.964850     -7.228719      2.283861
  H      -1.317931     -4.585910      0.723266
  H      -3.082803     -4.527310      0.681483
  H      -1.264717     -6.265920      2.425370
  H      -2.394453     -6.821793      1.165052
  C      -0.484691     -2.217080      1.244811
  C      -1.852968     -2.284009      1.932049
  C      -2.979609     -1.701528      1.061078
  C      -2.870505     -0.185301      0.834797
  C      -4.116710      0.364590      0.193184
  C      -5.267013      0.604111      0.960363
  C      -6.444953      1.056280      0.371864
  C      -6.520750      1.289125     -1.013190
  C      -7.772045      1.768505     -1.640022
  C      -7.742512      2.658971     -2.728179
  C      -8.922566      3.109423     -3.319337
  C     -10.161153      2.680076     -2.836002
  C     -10.206871      1.795839     -1.755229
  C      -9.026390      1.345500     -1.164821
  C      -5.367096      1.052862     -1.779827
  C      -4.190186      0.598441     -1.186129
  C      -6.826947     -2.691391      3.215831
  C      -6.101809     -3.301880      4.421421
  C      -7.102821     -3.898371      5.422337
  C      -6.447014     -4.461541      6.689415
  C      -7.445798     -5.073305      7.635593
  C      -8.152579     -6.232114      7.280030
  C      -9.082329     -6.805271      8.142316
  C      -9.342141     -6.246720      9.407263
  C     -10.305253     -6.875026     10.337359
  C     -10.503299     -8.267936     10.342298
  C     -11.407171     -8.863821     11.220320
  C     -12.134106     -8.081414     12.121018
  C     -11.945759     -6.697459     12.131893
  C     -11.044811     -6.102395     11.250027
  C      -8.636995     -5.084416      9.760424
  C      -7.712257     -4.510339      8.889458
  C      -0.184634     -5.327179      6.976324
  C      -1.581838     -4.765861      6.693064
  C      -2.571947     -4.989396      7.854213
  C      -2.929106     -6.443204      8.187775
  C      -3.930163     -6.571585      9.310794
  C      -3.731725     -5.946398     10.551337
  C      -4.680968     -6.040580     11.566280
  C      -5.867330     -6.773496     11.386753
  C      -6.906117     -6.823414     12.437331
  C      -7.686138     -7.975260     12.636336
  C      -8.685674     -8.007126     13.607209
  C      -8.930162     -6.886449     14.403129
  C      -8.163145     -5.733285     14.219204
  C      -7.163492     -5.702401     13.247277
  C      -6.051459     -7.423150     10.156470
  C      -5.104942     -7.315049      9.140414
  H       0.276169     -2.728686      1.851579
  H      -0.174276     -1.169283      1.128817
  H      -0.496389     -2.668522      0.241420
  H      -1.801520     -1.670071      2.843223
  H      -3.933708     -1.911741      1.570156
  H      -3.018981     -2.212349      0.084147
  H      -1.996229      0.046068      0.207382
  H      -2.708808      0.303288      1.810468
  H      -5.232456      0.441499      2.040842
  H      -7.314957      1.260538      0.998972
  H      -6.781252      3.020779     -3.097558
  H      -8.874720      3.807431     -4.157276
  H     -11.084692      3.032482     -3.298289
  H     -11.168573      1.447259     -1.374157
  H      -9.073124      0.635776     -0.336824
  H      -5.400135      1.205233     -2.860376
  H      -3.309672      0.414545     -1.807320
  H      -7.370000     -3.451711      2.633656
  H      -6.110157     -2.193964      2.547903
  H      -7.562579     -1.944843      3.550375
  H      -5.555671     -2.494295      4.930711
  H      -7.700035     -4.684837      4.931221
  H      -7.818069     -3.109031      5.704561
  H      -5.891401     -3.660175      7.200852
  H      -5.696686     -5.217622      6.402918
  H      -7.971769     -6.694945      6.306061
  H      -9.628686     -7.695212      7.824183
  H      -9.918794     -8.894673      9.666540
  H     -11.535841     -9.948017     11.209812
  H     -12.839850     -8.547314     12.810944
  H     -12.508810     -6.074223     12.829118
  H     -10.923694     -5.017903     11.255192
  H      -8.780766     -4.650311     10.751059
  H      -7.161845     -3.619471      9.201786
  H       0.500376     -5.095377      6.148149
  H       0.216789     -4.863048      7.888613
  H      -0.178866     -6.415302      7.129452
  H      -1.478680     -3.674309      6.613092
  H      -2.150030     -4.500778      8.748366
  H      -3.496462     -4.444511      7.607208
  H      -2.011568     -6.999051      8.449219
  H      -3.353519     -6.933009      7.298364
  H      -2.818542     -5.373884     10.729354
  H      -4.493601     -5.548935     12.523009
  H      -7.498772     -8.860683     12.026382
  H      -9.284363     -8.910043     13.735912
  H      -9.719986     -6.908159     15.155745
  H      -8.353206     -4.846650     14.827217
  H      -6.590624     -4.786516     13.089916
  H      -6.976851     -7.969234      9.969742
  H      -5.296459     -7.796410      8.177941
  N      -3.017079     -2.481486      4.908425
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875128983768
  N      -2.209651     -3.637763      2.403749
  C      -2.231010     -4.661495      1.359750
  C      -2.250545     -6.063315      1.959967
  N      -3.264000     -6.154625      3.015841
  C      -4.645976     -6.196852      2.527655
  C      -5.592353     -5.545955      3.533106
  N      -5.069997     -4.265351      4.010296
  Mo     -3.108143     -3.971457      4.153481
  N      -2.139615     -5.191496      5.394353
  C      -1.856802     -6.570137      4.989095
  C      -2.954620     -7.114885      4.080374
  H      -1.783464     -7.239311      5.860634
  H      -0.875082     -6.634955      4.479701
  H      -3.868687     -7.247179      4.677865
  H      -2.668890     -8.105639      3.673627
  H      -6.569580     -5.413524      3.038456
  H      -5.771573     -6.236137      4.381853
  H      -4.681053     -5.621885      1.591510
  H      -4.971814     -7.231487      2.300374
  H      -1.337895     -4.585582      0.716405
  H      -3.103169     -4.526118      0.689469
  H      -1.273098     -6.265107      2.420881
  H      -2.410158     -6.820894      1.167116
  C      -0.488290     -2.220798      1.244670
  C      -1.857899     -2.284159      1.929664
  C      -2.982253     -1.702018      1.055410
  C      -2.873566     -0.185147      0.832250
  C      -4.117363      0.365502      0.186666
  C      -5.269607      0.606114      0.950483
  C      -6.445559      1.058893      0.358497
  C      -6.517240      1.291320     -1.026832
  C      -7.766415      1.771525     -1.657276
  C      -7.733102      2.661626     -2.745689
  C      -8.911096      3.112978     -3.340254
  C     -10.151422      2.684903     -2.860163
  C     -10.200890      1.800995     -1.779219
  C      -9.022478      1.349760     -1.185401
  C      -5.361597      1.054025     -1.790068
  C      -4.186727      0.598947     -1.192897
  C      -6.825926     -2.687585      3.222666
  C      -6.103363     -3.297986      4.429678
  C      -7.106234     -3.890448      5.431448
  C      -6.451991     -4.455824      6.698767
  C      -7.451652     -5.067867      7.643760
  C      -8.162415     -6.223343      7.284773
  C      -9.091848     -6.797446      8.146631
  C      -9.347039     -6.243522      9.414755
  C     -10.308767     -6.874116     10.344613
  C     -10.508772     -8.266754     10.344042
  C     -11.411115     -8.865033     11.221785
  C     -12.134646     -8.085466     12.127688
  C     -11.944586     -6.701763     12.143803
  C     -11.044945     -6.104357     11.262416
  C      -8.637553     -5.085026      9.771463
  C      -7.713443     -4.509621      8.900628
  C      -0.184596     -5.313775      6.980057
  C      -1.584015     -4.758687      6.695680
  C      -2.573874     -4.988641      7.855582
  C      -2.917000     -6.445386      8.191808
  C      -3.920358     -6.578166      9.312053
  C      -3.719795     -5.962837     10.557191
  C      -4.670884     -6.058159     11.570115
  C      -5.860979     -6.783220     11.383947
  C      -6.900843     -6.835363     12.433228
  C      -7.681808     -7.987433     12.627623
  C      -8.681554     -8.022021     13.598233
  C      -8.925374     -6.903843     14.398006
  C      -8.157462     -5.750509     14.218419
  C      -7.157356     -5.717039     13.247083
  C      -6.047339     -7.423535     10.148998
  C      -5.098943     -7.313968      9.134737
  H       0.271072     -2.729336      1.855842
  H      -0.177300     -1.173702      1.123552
  H      -0.497871     -2.677668      0.243700
  H      -1.807070     -1.667905      2.839304
  H      -3.937787     -1.913872      1.561191
  H      -3.018130     -2.211399      0.077600
  H      -1.996670      0.047799      0.209166
  H      -2.716627      0.301616      1.809545
  H      -5.238078      0.443885      2.031070
  H      -7.317189      1.263914      0.983022
  H      -6.770484      3.022477     -3.112572
  H      -8.860326      3.810696     -4.178321
  H     -11.073362      3.038014     -3.325095
  H     -11.164012      1.453394     -1.400688
  H      -9.072100      0.640277     -0.357302
  H      -5.391580      1.206181     -2.870722
  H      -3.304580      0.414256     -1.811455
  H      -7.368512     -3.448447      2.640804
  H      -6.107354     -2.191944      2.555402
  H      -7.561267     -1.939771      3.555193
  H      -5.555544     -2.491143      4.938460
  H      -7.707196     -4.674708      4.941585
  H      -7.818072     -3.097962      5.713575
  H      -5.895034     -3.656246      7.211547
  H      -5.702608     -5.212297      6.411044
  H      -7.984802     -6.681849      6.308179
  H      -9.641726     -7.684406      7.826300
  H      -9.926581     -8.891668      9.664527
  H     -11.541606     -9.948921     11.206937
  H     -12.839443     -8.553218     12.817235
  H     -12.505050     -6.080946     12.845285
  H     -10.922714     -5.020025     11.271782
  H      -8.777752     -4.654626     10.764259
  H      -7.159338     -3.621807      9.214953
  H       0.500325     -5.077836      6.153026
  H       0.213502     -4.849004      7.893540
  H      -0.173756     -6.401972      7.132063
  H      -1.486137     -3.666631      6.616268
  H      -2.157954     -4.494493      8.749430
  H      -3.503405     -4.453393      7.606157
  H      -1.994867     -6.990477      8.459349
  H      -3.332535     -6.942666      7.302337
  H      -2.803583     -5.396437     10.739478
  H      -4.482449     -5.573862     12.530414
  H      -7.494669     -8.870719     12.014442
  H      -9.280849     -8.924952     13.724023
  H      -9.715408     -6.927646     15.150369
  H      -8.346905     -4.866025     14.829817
  H      -6.582794     -4.801537     13.093522
  H      -6.976339     -7.961875      9.957449
  H      -5.291413     -7.788085      8.168910
  N      -3.019356     -2.476808      4.909300
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875133440286
  N      -2.209396     -3.636345      2.404150
  C      -2.232854     -4.659507      1.359568
  C      -2.253342     -6.061614      1.958972
  N      -3.267725     -6.152943      3.014035
  C      -4.649269     -6.195425      2.524352
  C      -5.596264     -5.542927      3.528038
  N      -5.073767     -4.261962      4.004441
  Mo     -3.111937     -3.969199      4.151922
  N      -2.147469     -5.190259      5.395072
  C      -1.863060     -6.568297      4.988937
  C      -2.959699     -7.113279      4.078945
  H      -1.789368     -7.237675      5.860261
  H      -0.881188     -6.631844      4.479672
  H      -3.874629     -7.245399      4.675144
  H      -2.673273     -8.104016      3.672655
  H      -6.573082     -5.410201      3.032738
  H      -5.776531     -6.231950      4.377516
  H      -4.683174     -5.621892      1.587307
  H      -4.974932     -7.230384      2.298477
  H      -1.340638     -4.584324      0.714864
  H      -3.105829     -4.522605      0.690706
  H      -1.276333     -6.264113      2.420495
  H      -2.412912     -6.818615      1.165571
  C      -0.484820     -2.220829      1.248506
  C      -1.855967     -2.283145      1.930509
  C      -2.978123     -1.700514      1.053501
  C      -2.870528     -0.183028      0.834045
  C      -4.113636      0.367727      0.187200
  C      -5.266733      0.607905      0.949848
  C      -6.442361      1.059879      0.356619
  C      -6.512855      1.291963     -1.028837
  C      -7.761839      1.770892     -1.660595
  C      -7.728375      2.660386     -2.749509
  C      -8.906221      3.110440     -3.345322
  C     -10.146633      2.681669     -2.866015
  C     -10.196266      1.798357     -1.784590
  C      -9.017991      1.348415     -1.189538
  C      -5.356252      1.055395     -1.790824
  C      -4.181713      0.601077     -1.192436
  C      -6.829320     -2.685797      3.213549
  C      -6.107798     -3.294289      4.422029
  C      -7.111123     -3.885572      5.423875
  C      -6.457061     -4.449328      6.692063
  C      -7.455489     -5.062828      7.637414
  C      -8.165571     -6.218656      7.277847
  C      -9.092507     -6.795347      8.140506
  C      -9.345706     -6.243767      9.410102
  C     -10.303315     -6.878355     10.341256
  C     -10.498483     -8.271648     10.339475
  C     -11.396553     -8.874097     11.218714
  C     -12.120365     -8.098116     12.127441
  C     -11.934989     -6.713758     12.144773
  C     -11.039795     -6.112189     11.261792
  C      -8.637533     -5.084716      9.767232
  C      -7.715856     -4.506619      8.895539
  C      -0.195752     -5.311030      6.984488
  C      -1.595769     -4.758403      6.698284
  C      -2.587134     -4.992435      7.855973
  C      -2.924734     -6.450499      8.193010
  C      -3.925664     -6.583986      9.315281
  C      -3.716689     -5.976612     10.562895
  C      -4.665321     -6.070055     11.578245
  C      -5.861209     -6.785372     11.391938
  C      -6.898042     -6.835152     12.444328
  C      -7.684450     -7.983754     12.637570
  C      -8.680742     -8.016238     13.611794
  C      -8.915561     -6.899428     14.416256
  C      -8.142331     -5.749535     14.237550
  C      -7.145607     -5.718158     13.262637
  C      -6.056160     -7.418168     10.154370
  C      -5.110042     -7.310530      9.137727
  H       0.273526     -2.726682      1.863147
  H      -0.174472     -1.173857      1.124548
  H      -0.491579     -2.681121      0.249097
  H      -1.806644     -1.666349      2.839858
  H      -3.935004     -1.914726      1.555793
  H      -3.010225     -2.207971      0.074575
  H      -1.992575      0.052133      0.213285
  H      -2.716258      0.301700      1.812746
  H      -5.236119      0.445846      2.030473
  H      -7.314709      1.264427      0.980289
  H      -6.765762      3.021829     -3.115841
  H      -8.855333      3.807696     -4.183772
  H     -11.068454      3.033777     -3.331940
  H     -11.159452      1.450238     -1.406673
  H      -9.067789      0.639338     -0.361094
  H      -5.385216      1.207407     -2.871526
  H      -3.298872      0.416818     -1.810118
  H      -7.371499     -3.447786      2.632773
  H      -6.110204     -2.191455      2.545951
  H      -7.564921     -1.937337      3.544090
  H      -5.560341     -2.486887      4.930348
  H      -7.712195     -4.670452      4.935120
  H      -7.822813     -3.092510      5.704846
  H      -5.901319     -3.648708      7.204530
  H      -5.706409     -5.204765      6.404723
  H      -7.988912     -6.675242      6.300186
  H      -9.641766     -7.682737      7.820240
  H      -9.915887     -8.893870      9.657795
  H     -11.523436     -9.958384     11.202766
  H     -12.821767     -8.569041     12.818273
  H     -12.495658     -6.095788     12.848603
  H     -10.921268     -5.027434     11.272298
  H      -8.776409     -4.655901     10.760936
  H      -7.162356     -3.618455      9.209958
  H       0.490431     -5.071766      6.159462
  H       0.199353     -4.847570      7.899961
  H      -0.182886     -6.399565      7.134035
  H      -1.500139     -3.666032      6.620579
  H      -2.174993     -4.496321      8.750489
  H      -3.518574     -4.461521      7.604869
  H      -2.000520     -6.992146      8.460144
  H      -3.339628     -6.949821      7.304393
  H      -2.795628     -5.418020     10.745028
  H      -4.470520     -5.592111     12.540466
  H      -7.504460     -8.865722     12.020404
  H      -9.284345     -8.916366     13.737010
  H      -9.702809     -6.921621     15.171575
  H      -8.324881     -4.866129     14.852582
  H      -6.566443     -4.805382     13.110097
  H      -6.989861     -7.948606      9.963457
  H      -5.308499     -7.778757      8.170261
  N      -3.024284     -2.474866      4.908425
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875136545679
  N      -2.206380     -3.633549      2.404952
  C      -2.232910     -4.655764      1.359436
  C      -2.251517     -6.058404      1.957482
  N      -3.263947     -6.151196      3.014388
  C      -4.646342     -6.194937      2.527125
  C      -5.592183     -5.542525      3.531876
  N      -5.069854     -4.260928      4.006889
  Mo     -3.107989     -3.967233      4.153033
  N      -2.142660     -5.188566      5.395354
  C      -1.855971     -6.565517      4.987067
  C      -2.953093     -7.111654      4.078443
  H      -1.778936     -7.235640      5.857481
  H      -0.875049     -6.626219      4.475620
  H      -3.866934     -7.245323      4.675947
  H      -2.665825     -8.101799      3.671331
  H      -6.569861     -5.410516      3.038070
  H      -5.770720     -6.231150      4.382065
  H      -4.682191     -5.622150      1.589679
  H      -4.971470     -7.230335      2.302607
  H      -1.342959     -4.579832      0.711709
  H      -3.108215     -4.518168      0.693775
  H      -1.273533     -6.260673      2.417068
  H      -2.412099     -6.814725      1.163660
  C      -0.482259     -2.216736      1.250275
  C      -1.853655     -2.280178      1.931602
  C      -2.975978     -1.698327      1.054129
  C      -2.871843     -0.180240      0.837713
  C      -4.115847      0.368222      0.190656
  C      -5.269420      0.606627      0.953111
  C      -6.445878      1.056010      0.359572
  C      -6.516792      1.287129     -1.026027
  C      -7.766698      1.763120     -1.658159
  C      -7.734994      2.651877     -2.747731
  C      -8.913717      3.099131     -3.343904
  C     -10.153305      2.668237     -2.864318
  C     -10.201199      1.785610     -1.782240
  C      -9.022041      1.338480     -1.186830
  C      -5.359683      1.052412     -1.787803
  C      -4.184300      0.600721     -1.189109
  C      -6.824512     -2.683858      3.216558
  C      -6.103973     -3.293515      4.425087
  C      -7.108293     -3.885258      5.425519
  C      -6.456435     -4.449880      6.694420
  C      -7.456285     -5.061657      7.639450
  C      -8.172270     -6.213114      7.277354
  C      -9.100872     -6.787957      8.139404
  C      -9.349753     -6.239069      9.411019
  C     -10.309754     -6.871420     10.341018
  C     -10.510881     -8.263813     10.336199
  C     -11.411522     -8.864296     11.214126
  C     -12.132047     -8.087138     12.124438
  C     -11.940659     -6.703650     12.144813
  C     -11.042858     -6.104032     11.263202
  C      -8.635565     -5.084673      9.770912
  C      -7.712428     -4.508140      8.899713
  C      -0.192170     -5.307348      6.986614
  C      -1.593513     -4.758199      6.700074
  C      -2.586044     -4.997656      7.855453
  C      -2.920111     -6.457322      8.189921
  C      -3.921400     -6.592805      9.311461
  C      -3.706936     -5.995600     10.563036
  C      -4.656493     -6.087123     11.577664
  C      -5.858517     -6.790903     11.386527
  C      -6.896181     -6.837770     12.438327
  C      -7.689777     -7.982148     12.627397
  C      -8.686384     -8.011752     13.601364
  C      -8.914544     -6.896132     14.409436
  C      -8.134571     -5.750277     14.234438
  C      -7.137265     -5.721850     13.259959
  C      -6.058662     -7.414624     10.145234
  C      -5.111708     -7.308382      9.129234
  H       0.276759     -2.719460      1.866630
  H      -0.174043     -1.169433      1.123777
  H      -0.487513     -2.679652      0.252097
  H      -1.805049     -1.663375      2.840989
  H      -3.933087     -1.915958      1.554557
  H      -3.005439     -2.203952      0.074172
  H      -1.993991      0.058270      0.218088
  H      -2.719691      0.303100      1.817407
  H      -5.238546      0.445197      2.033831
  H      -7.318600      1.259271      0.983133
  H      -6.773107      3.014986     -3.114335
  H      -8.864208      3.795880     -4.182859
  H     -11.075803      3.018161     -3.330546
  H     -11.163711      1.435825     -1.404127
  H      -9.070510      0.629906     -0.357874
  H      -5.388823      1.203759     -2.868592
  H      -3.301097      0.417863     -1.806686
  H      -7.365075     -3.445614      2.633957
  H      -6.104965     -2.187828      2.550625
  H      -7.561462     -1.936660      3.547004
  H      -5.556656     -2.486745      4.934572
  H      -7.709344     -4.669528      4.935714
  H      -7.819837     -3.091838      5.705988
  H      -5.899863     -3.649952      7.207066
  H      -5.706704     -5.206879      6.408259
  H      -7.999363     -6.667448      6.298003
  H      -9.655055     -7.671544      7.817123
  H      -9.931283     -8.887121      9.652949
  H     -11.543092     -9.947966     11.195672
  H     -12.835572     -8.556471     12.814182
  H     -12.498902     -6.084665     12.849682
  H     -10.919685     -5.019814     11.276092
  H      -8.771158     -4.658062     10.766038
  H      -7.154769     -3.623267      9.216072
  H       0.494203     -5.064008      6.162924
  H       0.200564     -4.844967      7.903672
  H      -0.176165     -6.396214      7.133418
  H      -1.501047     -3.665364      6.625071
  H      -2.177752     -4.501719      8.751862
  H      -3.518731     -4.469639      7.603262
  H      -1.994791     -6.996939      8.457117
  H      -3.333460     -6.956221      7.300384
  H      -2.780842     -5.446445     10.748626
  H      -4.457699     -5.617247     12.543023
  H      -7.515015     -8.863049     12.007268
  H      -9.295491     -8.908540     13.723549
  H      -9.701972     -6.916078     15.164636
  H      -8.312148     -4.867685     14.852070
  H      -6.552543     -4.812146     13.110431
  H      -6.996958     -7.935714      9.951201
  H      -5.314035     -7.768744      8.158825
  N      -3.020684     -2.473390      4.910507
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875138336380
  N      -2.201921     -3.634847      2.404608
  C      -2.226158     -4.657210      1.359158
  C      -2.244267     -6.059745      1.957324
  N      -3.258368     -6.153763      3.012556
  C      -4.639902     -6.199305      2.523246
  C      -5.588115     -5.547293      3.525968
  N      -5.068159     -4.264632      4.000451
  Mo     -3.106752     -3.969407      4.150927
  N      -2.142677     -5.189663      5.395394
  C      -1.853295     -6.566230      4.987742
  C      -2.947818     -7.113954      4.076960
  H      -1.776911     -7.236319      5.858244
  H      -0.871314     -6.625432      4.478154
  H      -3.862425     -7.249753      4.672805
  H      -2.657983     -8.103415      3.670008
  H      -6.565085     -5.416976      3.030238
  H      -5.767307     -6.235405      4.376453
  H      -4.674956     -5.627145      1.585356
  H      -4.963511     -7.235192      2.298810
  H      -1.335397     -4.580463      0.712657
  H      -3.100709     -4.520411      0.692291
  H      -1.266863     -6.260538      2.418830
  H      -2.402272     -6.816446      1.163379
  C      -0.479356     -2.216104      1.249912
  C      -1.850340     -2.280968      1.931810
  C      -2.973452     -1.699064      1.055339
  C      -2.871156     -0.180537      0.841182
  C      -4.116589      0.367325      0.196358
  C      -5.268997      0.604845      0.960825
  C      -6.446704      1.053771      0.369428
  C      -6.520097      1.285273     -1.015966
  C      -7.771283      1.760937     -1.645809
  C      -7.741803      2.650141     -2.735080
  C      -8.921738      3.097223     -3.328999
  C     -10.160317      2.665699     -2.847400
  C     -10.205997      1.782600     -1.765593
  C      -9.025637      1.335648     -1.172441
  C      -5.364186      1.051313     -1.779805
  C      -4.187535      0.600105     -1.183238
  C      -6.824773     -2.691619      3.206171
  C      -6.103943     -3.298086      4.416232
  C      -7.108251     -3.889809      5.416680
  C      -6.456916     -4.450405      6.687447
  C      -7.456569     -5.061157      7.633375
  C      -8.172853     -6.212900      7.272769
  C      -9.101113     -6.786782      8.135885
  C      -9.349419     -6.236589      9.406979
  C     -10.309263     -6.867785     10.337884
  C     -10.510078     -8.260180     10.334825
  C     -11.410774     -8.859674     11.213410
  C     -12.131531     -8.081423     12.122606
  C     -11.940280     -6.697922     12.141352
  C     -11.042534     -6.099257     11.258975
  C      -8.635031     -5.081902      9.765400
  C      -7.712121     -4.506458      8.893226
  C      -0.192757     -5.304896      6.987481
  C      -1.595122     -4.758597      6.700569
  C      -2.587921     -4.999926      7.855234
  C      -2.920222     -6.459922      8.190269
  C      -3.921580     -6.595256      9.311754
  C      -3.705741     -5.999455     10.563793
  C      -4.655727     -6.089189     11.578168
  C      -5.859623     -6.789585     11.386097
  C      -6.898247     -6.833047     12.437118
  C      -7.696061     -7.974601     12.625426
  C      -8.694056     -8.000435     13.598034
  C      -8.919332     -6.883813     14.405528
  C      -8.135107     -5.740785     14.231366
  C      -7.136425     -5.716084     13.258149
  C      -6.060944     -7.412365     10.144586
  C      -5.113385     -7.308042      9.128946
  H       0.280722     -2.717072      1.866399
  H      -0.172842     -1.168443      1.122234
  H      -0.484461     -2.680040      0.252207
  H      -1.801724     -1.664833      2.841673
  H      -3.930293     -1.918603      1.555422
  H      -3.002414     -2.203222      0.074583
  H      -1.994305      0.059980      0.220907
  H      -2.718462      0.301428      1.821460
  H      -5.236216      0.443080      2.041439
  H      -7.318449      1.256444      0.994544
  H      -6.780697      3.013742     -3.103227
  H      -8.873948      3.794354     -4.167736
  H     -11.083758      3.015508     -3.311847
  H     -11.167707      1.432298     -1.385936
  H      -9.072411      0.626764     -0.343650
  H      -5.395212      1.202970     -2.860497
  H      -3.305277      0.417941     -1.802372
  H      -7.364675     -3.454905      2.624963
  H      -6.105558     -2.196263      2.539386
  H      -7.562452     -1.944424      3.534973
  H      -5.558442     -2.489507      4.924761
  H      -7.707062     -4.676192      4.927522
  H      -7.821675     -3.097169      5.694590
  H      -5.901918     -3.648303      7.198408
  H      -5.705856     -5.207233      6.404139
  H      -8.000459     -6.668477      6.293926
  H      -9.655428     -7.670792      7.814961
  H      -9.930521     -8.884196      9.652180
  H     -11.542054     -9.943396     11.196383
  H     -12.834995     -8.549973     12.812962
  H     -12.498670     -6.078073     12.845361
  H     -10.919234     -5.015048     11.270613
  H      -8.770098     -4.654311     10.760168
  H      -7.154291     -3.621344      9.208631
  H       0.493471     -5.059338      6.164318
  H       0.198529     -4.842351      7.905068
  H      -0.174373     -6.393867      7.133316
  H      -1.504858     -3.665538      6.626027
  H      -2.181659     -4.502920      8.751993
  H      -3.521338     -4.473663      7.602022
  H      -1.994279     -6.998340      8.457711
  H      -3.333260     -6.959517      7.300984
  H      -2.778236     -5.452864     10.749909
  H      -4.456066     -5.620434     12.543890
  H      -7.523558     -8.856189     12.005642
  H      -9.306587     -8.894985     13.719467
  H      -9.707729     -6.900883     15.159791
  H      -8.310496     -4.857367     14.848430
  H      -6.548503     -4.808391     13.108984
  H      -7.000501     -7.931056      9.950151
  H      -5.316646     -7.767393      8.158241
  N      -3.022450     -2.475512      4.908582
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875139282776
  N      -2.198015     -3.634877      2.404370
  C      -2.221002     -4.657455      1.359069
  C      -2.237856     -6.059842      1.957557
  N      -3.252351     -6.154901      3.012316
  C      -4.633653     -6.201875      2.522599
  C      -5.582956     -5.550392      3.524701
  N      -5.064613     -4.266854      3.998430
  Mo     -3.103514     -3.970121      4.150255
  N      -2.139126     -5.189259      5.395546
  C      -1.847735     -6.565531      4.988215
  C      -2.940985     -7.114715      4.076758
  H      -1.771158     -7.235544      5.858735
  H      -0.865252     -6.623511      4.479436
  H      -3.855687     -7.252147      4.672121
  H      -2.649469     -8.103648      3.669737
  H      -6.559831     -5.421625      3.028313
  H      -5.761685     -6.238218      4.375488
  H      -4.668948     -5.630072      1.584501
  H      -4.956275     -7.238121      2.298316
  H      -1.330053     -4.579923      0.712958
  H      -3.095451     -4.521688      0.691826
  H      -1.260446     -6.259251      2.419681
  H      -2.394406     -6.816983      1.163736
  C      -0.477310     -2.214198      1.248964
  C      -1.847751     -2.280578      1.931768
  C      -2.971934     -1.699236      1.056344
  C      -2.871474     -0.180479      0.843100
  C      -4.118315      0.366221      0.200002
  C      -5.269729      0.603188      0.966158
  C      -6.448696      1.050986      0.376396
  C      -6.524392      1.281875     -1.008966
  C      -7.776899      1.756399     -1.637053
  C      -7.749739      2.645229     -2.726670
  C      -8.930926      3.091263     -3.318903
  C     -10.168428      2.659021     -2.835237
  C     -10.211795      1.776271     -1.753067
  C      -9.030193      1.330370     -1.161598
  C      -5.369496      1.048396     -1.774534
  C      -4.191587      0.598297     -1.179605
  C      -6.822003     -2.695905      3.201489
  C      -6.101401     -3.300786      4.412568
  C      -7.106177     -3.892611      5.412500
  C      -6.455901     -4.451292      6.684500
  C      -7.456640     -5.059839      7.630815
  C      -8.175059     -6.210431      7.270910
  C      -9.104436     -6.782085      8.134368
  C      -9.351898     -6.230675      9.405064
  C     -10.313766     -6.858928     10.336004
  C     -10.518435     -8.250773     10.333537
  C     -11.421050     -8.847366     11.212203
  C     -12.139877     -8.066672     12.120836
  C     -11.944810     -6.683708     12.138967
  C     -11.045126     -6.087923     11.256523
  C      -8.635104     -5.077266      9.762932
  C      -7.711017     -4.504151      8.890457
  C      -0.189993     -5.301968      6.988817
  C      -1.593006     -4.757810      6.701209
  C      -2.586467     -5.000756      7.854963
  C      -2.917993     -6.461153      8.189053
  C      -3.919870     -6.597249      9.309931
  C      -3.703611     -6.003933     10.563135
  C      -4.654238     -6.093846     11.576901
  C      -5.859291     -6.791822     11.382888
  C      -6.898620     -6.835322     12.433220
  C      -7.698513     -7.975775     12.619202
  C      -8.697413     -8.001341     13.590881
  C      -8.921548     -6.885515     14.399734
  C      -8.135091     -5.743649     14.228094
  C      -7.135477     -5.719223     13.255806
  C      -6.061062     -7.412018     10.140228
  C      -5.112723     -7.307634      9.125297
  H       0.283933     -2.713690      1.865211
  H      -0.172438     -1.166177      1.120421
  H      -0.482504     -2.678736      0.251547
  H      -1.799021     -1.664883      2.841929
  H      -3.928314     -1.920049      1.556694
  H      -3.000879     -2.202774      0.075252
  H      -1.995592      0.061504      0.221999
  H      -2.718237      0.300989      1.823537
  H      -5.235204      0.441819      2.046789
  H      -7.319642      1.253280      1.002770
  H      -6.789470      3.009369     -3.096434
  H      -8.884933      3.788128     -4.157945
  H     -11.092843      3.008009     -3.298360
  H     -11.172643      1.425406     -1.371795
  H      -9.075168      0.621752     -0.332502
  H      -5.402311      1.199526     -2.855250
  H      -3.310158      0.416479     -1.800046
  H      -7.360981     -3.459995      2.620472
  H      -6.102816     -2.200430      2.534752
  H      -7.560465     -1.949069      3.529292
  H      -5.557105     -2.491220      4.920781
  H      -7.703473     -4.679980      4.923083
  H      -7.820766     -3.100484      5.688837
  H      -5.901031     -3.648467      7.194468
  H      -5.704982     -5.209032      6.403351
  H      -8.003721     -6.667066      6.292379
  H      -9.660408     -7.665211      7.813860
  H      -9.940381     -8.876642      9.651344
  H     -11.555201     -9.930763     11.195744
  H     -12.844797     -8.532961     12.811263
  H     -12.501673     -6.061928     12.842462
  H     -10.918656     -5.004075     11.267689
  H      -8.769269     -4.648983     10.757517
  H      -7.151504     -3.620002      9.205624
  H       0.496362     -5.054725      6.166245
  H       0.199903     -4.839227      7.906875
  H      -0.169784     -6.391030      7.133979
  H      -1.504363     -3.664567      6.627141
  H      -2.181804     -4.503856      8.752528
  H      -3.520111     -4.475162      7.601007
  H      -1.991831     -6.999197      8.456457
  H      -3.330672     -6.960291      7.299341
  H      -2.775219     -5.459320     10.750637
  H      -4.454275     -5.627298     12.543627
  H      -7.526907     -8.856742     11.998256
  H      -9.311737     -8.894947     13.710237
  H      -9.710734     -6.902318     15.153175
  H      -8.309459     -4.860847     14.846327
  H      -6.545840     -4.812323     13.108552
  H      -7.001320     -7.928886      9.944373
  H      -5.316305     -7.765045      8.153722
  N      -3.020945     -2.476107      4.907859
123
Coordinates from ORCA-job /scratch/magstr/orcajob__5658498-E3PJ/orca E -6456.875139374207
  N      -2.195071     -3.635318      2.404205
  C      -2.216912     -4.657919      1.358905
  C      -2.232789     -6.060276      1.957473
  N      -3.247808     -6.156286      3.011652
  C      -4.628817     -6.204319      2.521203
  C      -5.579117     -5.553399      3.522791
  N      -5.062081     -4.269302      3.996376
  Mo     -3.101232     -3.971443      4.149619
  N      -2.136694     -5.189913      5.395378
  C      -1.844011     -6.565993      4.988292
  C      -2.936171     -7.116069      4.076021
  H      -1.767617     -7.235926      5.858887
  H      -0.861081     -6.623293      4.480302
  H      -3.851120     -7.254659      4.670729
  H      -2.643379     -8.104555      3.668832
  H      -6.555845     -5.425686      3.025828
  H      -5.757613     -6.241170      4.373663
  H      -4.664090     -5.632632      1.583049
  H      -4.950609     -7.240805      2.296815
  H      -1.325730     -4.579711      0.713205
  H      -3.091203     -4.522925      0.691292
  H      -1.255457     -6.258697      2.420189
  H      -2.388130     -6.817662      1.163640
  C      -0.475786     -2.213021      1.248593
  C      -1.845867     -2.280613      1.931973
  C      -2.970760     -1.699647      1.057246
  C      -2.871654     -0.180631      0.845011
  C      -4.119539      0.365510      0.203459
  C      -5.270012      0.602135      0.971130
  C      -6.449997      1.049236      0.382857
  C      -6.527667      1.279765     -1.002445
  C      -7.781270      1.753550     -1.628919
  C      -7.756032      2.642168     -2.718754
  C      -8.938252      3.087517     -3.309455
  C     -10.174870      2.654773     -2.823996
  C     -10.216322      1.772215     -1.741599
  C      -9.033695      1.326995     -1.151665
  C      -5.373704      1.046628     -1.769542
  C      -4.194788      0.597196     -1.176111
  C      -6.820130     -2.700497      3.196694
  C      -6.099760     -3.303540      4.408837
  C      -7.104901     -3.894922      5.408774
  C      -6.455277     -4.451836      6.681853
  C      -7.456726     -5.059122      7.628317
  C      -8.176041     -6.209294      7.268943
  C      -9.106188     -6.779594      8.132491
  C      -9.353610     -6.227185      9.402759
  C     -10.316832     -6.853687     10.333590
  C     -10.523800     -8.245207     10.331499
  C     -11.427737     -8.839996     11.210040
  C     -12.145623     -8.057805     12.118136
  C     -11.948342     -6.675149     12.135839
  C     -11.047297     -6.081162     11.253546
  C      -8.635583     -5.074387      9.760261
  C      -7.710724     -4.502656      8.887670
  C      -0.188287     -5.300822      6.989602
  C      -1.591663     -4.758046      6.701352
  C      -2.585395     -5.001857      7.854685
  C      -2.915507     -6.462520      8.189038
  C      -3.917957     -6.598706      9.309343
  C      -3.701605     -6.006538     10.563107
  C      -4.653016     -6.095617     11.576164
  C      -5.859035     -6.791585     11.380845
  C      -6.899140     -6.834173     12.430418
  C      -7.700512     -7.973720     12.615524
  C      -8.700103     -7.998384     13.586527
  C      -8.923503     -6.882492     14.395469
  C      -8.135504     -5.741535     14.224760
  C      -7.135163     -5.718046     13.253216
  C      -6.060936     -7.410681     10.137667
  C      -5.111703     -7.307171      9.123428
  H       0.286292     -2.711372      1.864734
  H      -0.172181     -1.164705      1.119431
  H      -0.480893     -2.677988      0.251374
  H      -1.797149     -1.665297      2.842390
  H      -3.926817     -1.921451      1.557741
  H      -2.999650     -2.202612      0.075849
  H      -1.996480      0.062561      0.223383
  H      -2.718012      0.300180      1.825700
  H      -5.233971      0.440955      2.051736
  H      -7.320218      1.251238      1.010332
  H      -6.796441      3.006675     -3.089917
  H      -8.893743      3.784227     -4.148706
  H     -11.100094      3.003226     -3.285908
  H     -11.176472      1.420959     -1.358928
  H      -9.077165      0.618501     -0.322380
  H      -5.408089      1.197472     -2.850249
  H      -3.314126      0.415577     -1.797695
  H      -7.358873     -3.465469      2.616626
  H      -6.100902     -2.205821      2.529420
  H      -7.558714     -1.953295      3.523365
  H      -5.556365     -2.492952      4.916383
  H      -7.701218     -4.683162      4.919591
  H      -7.820248     -3.103011      5.683719
  H      -5.900752     -3.648359      7.191160
  H      -5.704200     -5.209877      6.402106
  H      -8.005011     -6.666687      6.290709
  H      -9.662910     -7.662354      7.812266
  H      -9.946407     -8.872221      9.649801
  H     -11.563657     -9.923183     11.193941
  H     -12.851602     -8.522702     12.808416
  H     -12.504483     -6.052214     12.838888
  H     -10.919080     -4.997518     11.264284
  H      -8.769568     -4.645482     10.754605
  H      -7.150401     -3.618913      9.202544
  H       0.498281     -5.052428      6.167545
  H       0.200542     -4.838009      7.908078
  H      -0.166874     -6.389932      7.134300
  H      -1.504092     -3.664710      6.627304
  H      -2.181795     -4.504408      8.752426
  H      -3.519491     -4.477255      7.600187
  H      -1.988966     -6.999491      8.457228
  H      -3.327275     -6.962363      7.299296
  H      -2.772579     -5.463276     10.751414
  H      -4.453077     -5.629997     12.543342
  H      -7.529394     -8.854742     11.994500
  H      -9.315574     -8.891298     13.705202
  H      -9.713321     -6.898529     15.148260
  H      -8.309165     -4.858730     14.843190
  H      -6.544201     -4.811880     13.106737
  H      -7.001927     -7.925805      9.940727
  H      -5.315366     -7.763656      8.151427
  N      -3.020169     -2.477495      4.907475
