125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6511.973512434631
  N      -3.482649     -3.499769      2.186671
  C      -3.045443     -4.359944      1.109315
  C      -2.673534     -5.739887      1.660110
  N      -3.601817     -6.133627      2.712781
  C      -4.869961     -6.599507      2.161272
  C      -5.987176     -6.410364      3.188429
  N      -5.835099     -5.116962      3.815526
  Mo     -4.012280     -4.411469      3.844027
  N      -2.751740     -5.214846      5.128152
  C      -2.085424     -6.392415      4.615717
  C      -3.013825     -7.106550      3.626797
  H      -1.812055     -7.102546      5.407470
  H      -1.145020     -6.125342      4.103197
  H      -3.830775     -7.550305      4.201936
  H      -2.483260     -7.903644      3.081947
  H      -6.949502     -6.506451      2.664244
  H      -5.952582     -7.224567      3.937772
  H      -5.101117     -5.965150      1.301650
  H      -4.802466     -7.646807      1.826932
  H      -2.160647     -3.961457      0.591019
  H      -3.839009     -4.466908      0.342473
  H      -1.682586     -5.662049      2.110210
  H      -2.638213     -6.488899      0.852964
  C      -3.588777     -1.651123      0.482101
  C      -3.382080     -2.087839      1.940397
  C      -2.046902     -1.480238      2.498197
  C      -0.832248     -2.206823      2.026076
  C      -0.422909     -3.357226      2.693461
  C       0.673762     -4.074535      2.251593
  C       1.400543     -3.657071      1.144600
  C       2.621383     -4.409818      0.679808
  C       3.863374     -3.601001      0.953789
  C       4.635764     -3.094018     -0.082074
  C       5.761536     -2.332418      0.183082
  C       6.127351     -2.065691      1.490856
  C       5.361970     -2.565903      2.531867
  C       4.238855     -3.326589      2.264158
  C       1.000905     -2.499393      0.487578
  C      -0.100705     -1.785662      0.920385
  C      -7.881049     -5.410842      5.216226
  C      -7.055997     -4.523559      4.270211
  C      -7.944535     -4.028702      3.083699
  C      -8.882548     -2.952014      3.522356
  C     -10.209579     -3.223231      3.837953
  C     -11.051104     -2.223766      4.288363
  C     -10.592306     -0.920610      4.439993
  C     -11.521457      0.154802      4.943539
  C     -12.048509     -0.194452      6.310795
  C     -13.396275     -0.451914      6.520950
  C     -13.863243     -0.789736      7.780295
  C     -12.985095     -0.876632      8.846466
  C     -11.637528     -0.623957      8.646394
  C     -11.174139     -0.286447      7.388096
  C      -9.268490     -0.645633      4.124606
  C      -8.428932     -1.645925      3.670683
  C      -3.179797     -6.045047      7.429151
  C      -2.581394     -4.949409      6.526728
  C      -1.125307     -4.573013      6.967178
  C      -0.104441     -5.668060      6.951615
  C      -0.037567     -6.613875      7.971330
  C       0.901968     -7.626739      7.942592
  C       1.819703     -7.719957      6.903503
  C       2.850420     -8.820004      6.898489
  C       3.805182     -8.647055      8.051447
  C       3.844407     -9.558136      9.097985
  C       4.713271     -9.376320     10.160949
  C       5.553535     -8.277091     10.190977
  C       5.519921     -7.360647      9.152299
  C       4.651522     -7.544595      8.092213
  C       1.783666     -6.754877      5.906567
  C       0.839204     -5.745496      5.933639
  H      -4.501271     -2.093031      0.086477
  H      -2.754515     -1.948745     -0.147786
  H      -3.685298     -0.568136      0.435205
  H      -4.184695     -1.611785      2.526126
  H      -2.001085     -0.426786      2.215531
  H      -2.096526     -1.557405      3.587430
  H      -0.995772     -3.690118      3.552372
  H       0.973871     -4.975566      2.771105
  H       2.545871     -4.612416     -0.391251
  H       2.683491     -5.365274      1.206781
  H       4.357844     -3.298353     -1.107178
  H       6.354073     -1.946274     -0.634342
  H       7.005487     -1.471378      1.698834
  H       5.642263     -2.361902      3.555662
  H       3.641349     -3.710397      3.078964
  H       1.562497     -2.154582     -0.369965
  H      -0.394568     -0.887203      0.394698
  H      -7.251541     -5.758478      6.033575
  H      -8.710012     -4.840915      5.630335
  H      -8.282389     -6.277554      4.695377
  H      -6.764322     -3.628181      4.833485
  H      -7.261000     -3.644557      2.320554
  H      -8.503918     -4.867399      2.665855
  H     -10.589767     -4.229241      3.724549
  H     -12.079721     -2.455152      4.528490
  H     -10.985173      1.105827      4.989753
  H     -12.357381      0.269239      4.248449
  H     -14.089714     -0.385532      5.693506
  H     -14.915854     -0.985963      7.928455
  H     -13.348556     -1.140112      9.829358
  H     -10.946478     -0.691112      9.474725
  H     -10.121845     -0.093848      7.233583
  H      -8.891974      0.363175      4.228634
  H      -7.403791     -1.414394      3.413954
  H      -4.204796     -6.234291      7.111850
  H      -2.620083     -6.974485      7.363323
  H      -3.188222     -5.718881      8.467108
  H      -3.169506     -4.038990      6.716483
  H      -0.794778     -3.766615      6.307152
  H      -1.199458     -4.175136      7.982892
  H      -0.721889     -6.551673      8.805052
  H       0.932892     -8.351947      8.744218
  H       3.405217     -8.795545      5.957320
  H       2.353073     -9.789777      6.978660
  H       3.192969    -10.421448      9.081739
  H       4.733510    -10.095446     10.967701
  H       6.232612     -8.134461     11.019201
  H       6.173244     -6.499765      9.169646
  H       4.624863     -6.825818      7.285323
  H       2.505039     -6.792207      5.100818
  H       0.834586     -4.995961      5.154984
  N      -4.429977     -2.663268      4.986927
  N      -4.675497     -1.635686      5.658717
  H      -5.638978     -1.313686      5.514854
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.005601238150
  N      -3.489921     -3.526990      2.172044
  C      -3.037822     -4.376893      1.074218
  C      -2.676393     -5.759899      1.603937
  N      -3.637058     -6.169980      2.651495
  C      -4.919968     -6.627967      2.072325
  C      -6.036637     -6.451919      3.097282
  N      -5.880151     -5.155171      3.751048
  Mo     -4.058896     -4.441310      3.817975
  N      -2.811027     -5.290458      5.089171
  C      -2.130730     -6.474918      4.564361
  C      -3.052568     -7.174206      3.566968
  H      -1.866881     -7.194623      5.351654
  H      -1.181839     -6.203079      4.069438
  H      -3.878334     -7.628332      4.129708
  H      -2.523204     -7.964301      3.009065
  H      -6.998428     -6.534198      2.567008
  H      -6.013447     -7.276500      3.835120
  H      -5.142589     -5.980134      1.214805
  H      -4.848588     -7.670390      1.721511
  H      -2.144835     -3.971718      0.574648
  H      -3.821955     -4.462151      0.296287
  H      -1.683700     -5.696147      2.067777
  H      -2.635625     -6.500600      0.788795
  C      -3.589018     -1.651750      0.497744
  C      -3.386803     -2.092453      1.954488
  C      -2.053622     -1.495897      2.537436
  C      -0.819469     -2.212342      2.070474
  C      -0.389534     -3.364481      2.740097
  C       0.713012     -4.082318      2.287317
  C       1.434470     -3.661715      1.169103
  C       2.655422     -4.420557      0.699105
  C       3.922496     -3.632481      0.961491
  C       4.698638     -3.140343     -0.089955
  C       5.850055     -2.395518      0.162128
  C       6.238749     -2.132167      1.473001
  C       5.470370     -2.618789      2.530297
  C       4.321769     -3.361481      2.275102
  C       1.024029     -2.495618      0.514797
  C      -0.086434     -1.783364      0.957277
  C      -7.932274     -5.441497      5.150104
  C      -7.107870     -4.541056      4.218011
  C      -7.982326     -4.004194      3.039541
  C      -8.906927     -2.916897      3.503567
  C     -10.246776     -3.172683      3.814422
  C     -11.074782     -2.164100      4.295268
  C     -10.591279     -0.864873      4.481249
  C     -11.501208      0.219532      5.018632
  C     -12.041961     -0.136772      6.386856
  C     -13.404562     -0.363976      6.591895
  C     -13.887612     -0.710799      7.853210
  C     -13.010334     -0.835933      8.927257
  C     -11.647372     -0.612299      8.732981
  C     -11.168831     -0.266854      7.472881
  C      -9.255438     -0.604859      4.166776
  C      -8.427674     -1.615137      3.684518
  C      -3.280530     -6.148778      7.375723
  C      -2.670101     -5.031698      6.510119
  C      -1.226654     -4.629677      6.970622
  C      -0.160260     -5.690836      6.959392
  C      -0.069554     -6.655710      7.972051
  C       0.918509     -7.633614      7.944160
  C       1.862347     -7.674983      6.912119
  C       2.946759     -8.731105      6.908259
  C       3.894956     -8.545585      8.074697
  C       3.965005     -9.481834      9.108680
  C       4.827381     -9.289006     10.187269
  C       5.631162     -8.153400     10.244830
  C       5.567741     -7.211897      9.217864
  C       4.705640     -7.407030      8.143474
  C       1.798478     -6.692045      5.921973
  C       0.807152     -5.715671      5.950299
  H      -4.506138     -2.091273      0.086195
  H      -2.745221     -1.943855     -0.137280
  H      -3.685599     -0.561645      0.461305
  H      -4.195134     -1.621738      2.538926
  H      -2.013990     -0.434371      2.262271
  H      -2.114643     -1.576035      3.631651
  H      -0.949330     -3.702575      3.613027
  H       1.025191     -4.988408      2.808721
  H       2.571500     -4.627223     -0.376436
  H       2.703456     -5.383194      1.227436
  H       4.401887     -3.343933     -1.119502
  H       6.445498     -2.020239     -0.669570
  H       7.138136     -1.550752      1.671480
  H       5.768853     -2.417640      3.558754
  H       3.720952     -3.734397      3.105499
  H       1.583835     -2.143057     -0.351833
  H      -0.391381     -0.879778      0.428532
  H      -7.302517     -5.813380      5.968251
  H      -8.761150     -4.868203      5.578137
  H      -8.347416     -6.301768      4.611221
  H      -6.806014     -3.658019      4.799196
  H      -7.290166     -3.611533      2.280334
  H      -8.556664     -4.828840      2.596732
  H     -10.647666     -4.177288      3.675170
  H     -12.114873     -2.386440      4.534608
  H     -10.941775      1.163361      5.078979
  H     -12.339823      0.370403      4.324480
  H     -14.098211     -0.266332      5.756000
  H     -14.953863     -0.883353      7.996435
  H     -13.386407     -1.105950      9.913220
  H     -10.955119     -0.708251      9.569065
  H     -10.101611     -0.097544      7.323422
  H      -8.859374      0.403060      4.296014
  H      -7.389357     -1.391903      3.429849
  H      -4.305323     -6.344723      7.035433
  H      -2.708752     -7.080717      7.310013
  H      -3.312336     -5.836842      8.425260
  H      -3.269500     -4.128321      6.702561
  H      -0.908612     -3.798812      6.325387
  H      -1.334115     -4.241622      7.993145
  H      -0.773732     -6.633584      8.803166
  H       0.969387     -8.372284      8.744490
  H       3.508568     -8.669840      5.965961
  H       2.489516     -9.728452      6.966381
  H       3.341002    -10.375498      9.069429
  H       4.871273    -10.029884     10.985000
  H       6.306443     -8.001878     11.085890
  H       6.194129     -6.321159      9.255820
  H       4.655960     -6.665964      7.344974
  H       2.539866     -6.686630      5.121782
  H       0.784697     -4.946598      5.178456
  N      -4.493303     -2.766840      4.926945
  N      -4.742317     -1.780432      5.589337
  H      -5.719508     -1.445791      5.444080
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.015880017114
  N      -3.493151     -3.524147      2.166123
  C      -3.022525     -4.384280      1.048721
  C      -2.662440     -5.771650      1.574224
  N      -3.649551     -6.190355      2.635318
  C      -4.952699     -6.661468      2.036892
  C      -6.076406     -6.486612      3.062357
  N      -5.919813     -5.167069      3.732439
  Mo     -4.095144     -4.420076      3.830858
  N      -2.839013     -5.307261      5.095947
  C      -2.137255     -6.513746      4.569200
  C      -3.054044     -7.217942      3.565034
  H      -1.876871     -7.232688      5.359126
  H      -1.183857     -6.235788      4.086385
  H      -3.884566     -7.677776      4.121467
  H      -2.522508     -8.005334      3.004575
  H      -7.036963     -6.567860      2.527785
  H      -6.058918     -7.309833      3.801081
  H      -5.171024     -6.012528      1.175566
  H      -4.873957     -7.702910      1.683779
  H      -2.125438     -3.976095      0.558291
  H      -3.801255     -4.460563      0.265674
  H      -1.669410     -5.710513      2.046580
  H      -2.616074     -6.513392      0.760116
  C      -3.576789     -1.651816      0.474867
  C      -3.380982     -2.068834      1.937989
  C      -2.048878     -1.475036      2.527988
  C      -0.804520     -2.198241      2.076728
  C      -0.367294     -3.348419      2.759396
  C       0.743169     -4.071991      2.313086
  C       1.470275     -3.659960      1.187827
  C       2.694829     -4.427552      0.731663
  C       3.976811     -3.651082      0.984638
  C       4.762179     -3.182024     -0.079369
  C       5.930616     -2.445691      0.161717
  C       6.327144     -2.168244      1.474625
  C       5.549486     -2.632186      2.545098
  C       4.384412     -3.365869      2.300338
  C       1.055955     -2.494131      0.520503
  C      -0.063309     -1.777121      0.956506
  C      -7.988762     -5.455110      5.123882
  C      -7.170033     -4.545294      4.198747
  C      -8.032894     -4.000856      3.017232
  C      -8.957021     -2.910477      3.489420
  C     -10.305135     -3.159075      3.799970
  C     -11.128073     -2.142623      4.293517
  C     -10.631974     -0.841984      4.491546
  C     -11.529326      0.250213      5.043479
  C     -12.073128     -0.102346      6.416217
  C     -13.444840     -0.309879      6.626435
  C     -13.932222     -0.654625      7.895167
  C     -13.049415     -0.797163      8.971437
  C     -11.676379     -0.593084      8.772002
  C     -11.194375     -0.250014      7.504879
  C      -9.288667     -0.589587      4.174698
  C      -8.465152     -1.607930      3.681086
  C      -3.324815     -6.184022      7.382409
  C      -2.706598     -5.055071      6.541065
  C      -1.267072     -4.647903      7.003189
  C      -0.181338     -5.695517      6.983592
  C      -0.072576     -6.677277      7.988499
  C       0.938454     -7.641002      7.947604
  C       1.888624     -7.652726      6.909755
  C       2.996798     -8.689244      6.890255
  C       3.955045     -8.512745      8.056357
  C       4.047288     -9.473217      9.075437
  C       4.920069     -9.289634     10.157219
  C       5.712391     -8.138651     10.232419
  C       5.627069     -7.172565      9.219870
  C       4.754764     -7.358974      8.143208
  C       1.804794     -6.653235      5.927935
  C       0.790568     -5.690534      5.970045
  H      -4.497603     -2.093249      0.059323
  H      -2.728054     -1.955662     -0.157610
  H      -3.669008     -0.557445      0.424922
  H      -4.191267     -1.587323      2.511466
  H      -2.008225     -0.412928      2.240597
  H      -2.118621     -1.540753      3.626154
  H      -0.925160     -3.684372      3.639041
  H       1.058966     -4.976800      2.845237
  H       2.612792     -4.648367     -0.344952
  H       2.730557     -5.387768      1.273300
  H       4.458541     -3.397590     -1.110343
  H       6.532575     -2.088746     -0.680182
  H       7.239201     -1.593975      1.664842
  H       5.853711     -2.420250      3.575340
  H       3.776824     -3.720473      3.141741
  H       1.619520     -2.145203     -0.351929
  H      -0.370629     -0.874751      0.416040
  H      -7.359912     -5.829942      5.948478
  H      -8.826124     -4.885647      5.552394
  H      -8.400367     -6.320107      4.578542
  H      -6.874910     -3.662479      4.785278
  H      -7.336710     -3.601476      2.260215
  H      -8.607127     -4.824874      2.562442
  H     -10.715653     -4.164656      3.652211
  H     -12.174477     -2.360311      4.534456
  H     -10.954890      1.189322      5.105597
  H     -12.371360      0.418510      4.351655
  H     -14.141979     -0.197994      5.788053
  H     -15.005779     -0.811490      8.041798
  H     -13.428244     -1.065232      9.962711
  H     -10.979412     -0.702503      9.609566
  H     -10.118419     -0.096684      7.351529
  H      -8.883418      0.419354      4.312930
  H      -7.419432     -1.388601      3.425923
  H      -4.352238     -6.378181      7.033727
  H      -2.751634     -7.120948      7.310339
  H      -3.363485     -5.884610      8.440351
  H      -3.306122     -4.153592      6.742858
  H      -0.955626     -3.804090      6.365543
  H      -1.385462     -4.267982      8.031535
  H      -0.780588     -6.678765      8.824174
  H       1.003490     -8.391990      8.742858
  H       3.553185     -8.602645      5.942373
  H       2.556953     -9.699189      6.933520
  H       3.432018    -10.378832      9.021167
  H       4.980721    -10.049891     10.942735
  H       6.395524     -7.994148     11.075256
  H       6.244332     -6.269686      9.271107
  H       4.688598     -6.597993      7.356659
  H       2.549637     -6.623542      5.124157
  H       0.753582     -4.907126      5.205435
  N      -4.543383     -2.805579      4.893818
  N      -4.795996     -1.847804      5.542851
  H      -5.782152     -1.499089      5.402105
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.026641364160
  N      -3.475808     -3.550527      2.254474
  C      -3.002542     -4.395222      1.138199
  C      -2.668193     -5.781286      1.651189
  N      -3.678596     -6.197225      2.681655
  C      -4.968248     -6.646810      2.054291
  C      -6.097642     -6.483172      3.061463
  N      -5.946818     -5.179624      3.745880
  Mo     -4.132648     -4.429001      3.899601
  N      -2.905323     -5.371935      5.143213
  C      -2.199555     -6.560778      4.607415
  C      -3.106445     -7.242489      3.595382
  H      -1.952998     -7.286029      5.395463
  H      -1.239946     -6.272070      4.147120
  H      -3.948151     -7.708559      4.128571
  H      -2.576660     -8.017797      3.018483
  H      -7.052654     -6.545274      2.515296
  H      -6.098509     -7.311467      3.792197
  H      -5.160226     -5.986385      1.195953
  H      -4.881628     -7.683031      1.690613
  H      -2.093319     -3.985169      0.673359
  H      -3.770574     -4.444117      0.344887
  H      -1.686997     -5.745646      2.147438
  H      -2.620297     -6.518873      0.834527
  C      -3.542348     -1.663307      0.593967
  C      -3.352647     -2.092544      2.051633
  C      -2.017425     -1.540507      2.659807
  C      -0.777285     -2.266887      2.202574
  C      -0.344244     -3.423400      2.875557
  C       0.753989     -4.156589      2.415984
  C       1.477616     -3.746008      1.287274
  C       2.693159     -4.521506      0.820224
  C       3.990483     -3.772858      1.075584
  C       4.778897     -3.308139      0.012704
  C       5.963229     -2.598887      0.254887
  C       6.373335     -2.345754      1.567981
  C       5.593131     -2.806622      2.637550
  C       4.411803     -3.512140      2.391498
  C       1.070456     -2.570566      0.632780
  C      -0.038618     -1.846279      1.080875
  C      -8.030762     -5.473566      5.095453
  C      -7.198937     -4.551939      4.199421
  C      -8.025331     -3.980784      3.009564
  C      -8.946509     -2.881873      3.471658
  C     -10.303054     -3.116507      3.752563
  C     -11.122801     -2.096226      4.241600
  C     -10.617034     -0.803438      4.461608
  C     -11.512787      0.294216      5.004942
  C     -12.093592     -0.048565      6.365012
  C     -13.472523     -0.235438      6.540466
  C     -13.997612     -0.570564      7.796188
  C     -13.145677     -0.722819      8.894943
  C     -11.765627     -0.537664      8.731014
  C     -11.246325     -0.205445      7.476529
  C      -9.265287     -0.563898      4.172038
  C      -8.443606     -1.587231      3.685390
  C      -3.382692     -6.330641      7.389436
  C      -2.804564     -5.152092      6.595431
  C      -1.386024     -4.699898      7.062072
  C      -0.248646     -5.686188      6.975346
  C      -0.080709     -6.723500      7.913445
  C       0.983064     -7.622511      7.808623
  C       1.924317     -7.516598      6.768047
  C       3.093213     -8.479079      6.681876
  C       4.059188     -8.316973      7.843226
  C       4.223791     -9.330125      8.799379
  C       5.103030     -9.162493      9.877951
  C       5.830056     -7.975022     10.012394
  C       5.673152     -6.956532      9.062071
  C       4.794071     -7.127163      7.989123
  C       1.774628     -6.467177      5.848909
  C       0.710500     -5.566369      5.957015
  H      -4.468093     -2.085689      0.170236
  H      -2.696785     -1.968311     -0.042338
  H      -3.619418     -0.566711      0.555321
  H      -4.159557     -1.614313      2.630694
  H      -1.962844     -0.473239      2.392906
  H      -2.094587     -1.618723      3.756690
  H      -0.889645     -3.755839      3.764688
  H       1.067409     -5.064876      2.943573
  H       2.606372     -4.732329     -0.258258
  H       2.714760     -5.490127      1.347523
  H       4.464414     -3.506579     -1.018094
  H       6.567148     -2.245047     -0.586365
  H       7.298018     -1.793254      1.759290
  H       5.908216     -2.614291      3.667925
  H       3.802188     -3.863318      3.232476
  H       1.633957     -2.217699     -0.237733
  H      -0.339608     -0.936618      0.549705
  H      -7.420257     -5.861722      5.927302
  H      -8.876271     -4.909527      5.516524
  H      -8.436552     -6.329372      4.531178
  H      -6.903839     -3.682530      4.804074
  H      -7.310071     -3.581787      2.270636
  H      -8.599447     -4.790657      2.529394
  H     -10.722117     -4.115139      3.585785
  H     -12.175273     -2.304913      4.461753
  H     -10.929922      1.227530      5.077107
  H     -12.338387      0.477993      4.297250
  H     -14.145089     -0.114121      5.683956
  H     -15.076448     -0.710950      7.914927
  H     -13.553717     -0.982138      9.876422
  H     -11.092716     -0.652228      9.586807
  H     -10.165711     -0.067253      7.351825
  H      -8.853427      0.439994      4.324240
  H      -7.392544     -1.375265      3.447342
  H      -4.401225     -6.553941      7.033110
  H      -2.773158     -7.242435      7.292843
  H      -3.435214     -6.069207      8.457417
  H      -3.436487     -4.277873      6.814850
  H      -1.124325     -3.807989      6.469280
  H      -1.515956     -4.374766      8.108325
  H      -0.781797     -6.817431      8.749529
  H       1.099025     -8.413331      8.557719
  H       3.627654     -8.307034      5.732892
  H       2.717676     -9.515659      6.668129
  H       3.660394    -10.264445      8.696715
  H       5.220513     -9.964260     10.613572
  H       6.518435     -7.842851     10.852433
  H       6.240017     -6.025306      9.159007
  H       4.671663     -6.325051      7.252195
  H       2.510940     -6.345671      5.046256
  H       0.626263     -4.737865      5.245105
  N      -4.581915     -2.882958      4.924846
  N      -4.841796     -1.922170      5.589120
  H      -5.825978     -1.558518      5.470658
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.032047290347
  N      -3.446651     -3.591648      2.226765
  C      -2.981866     -4.433633      1.121174
  C      -2.659769     -5.813427      1.640085
  N      -3.676683     -6.212970      2.656887
  C      -4.958984     -6.643413      2.026895
  C      -6.081935     -6.475667      3.031042
  N      -5.928254     -5.183606      3.711123
  Mo     -4.127565     -4.419653      3.875470
  N      -2.914172     -5.396430      5.094222
  C      -2.216150     -6.580497      4.573164
  C      -3.123605     -7.256907      3.568237
  H      -1.977344     -7.293451      5.373724
  H      -1.252294     -6.293443      4.123265
  H      -3.972209     -7.716771      4.093378
  H      -2.602616     -8.034461      2.985740
  H      -7.041696     -6.525690      2.491949
  H      -6.088771     -7.301235      3.764299
  H      -5.134059     -5.982697      1.167033
  H      -4.872714     -7.680190      1.663400
  H      -2.072117     -4.019603      0.660227
  H      -3.751577     -4.472946      0.329480
  H      -1.684376     -5.792951      2.143655
  H      -2.618362     -6.560108      0.830602
  C      -3.560382     -1.711436      0.563939
  C      -3.354614     -2.129996      2.019896
  C      -2.033846     -1.567496      2.628152
  C      -0.785949     -2.277738      2.180142
  C      -0.338943     -3.415996      2.866513
  C       0.764180     -4.142965      2.415771
  C       1.479103     -3.742022      1.279665
  C       2.700333     -4.509244      0.822012
  C       3.992058     -3.755701      1.074155
  C       4.778426     -3.296036      0.010570
  C       5.958882     -2.583773      0.248813
  C       6.367110     -2.322867      1.558539
  C       5.588899     -2.778778      2.628828
  C       4.411209     -3.486927      2.386633
  C       1.058307     -2.580906      0.612733
  C      -0.055928     -1.864873      1.052484
  C      -8.001475     -5.480386      5.062662
  C      -7.174140     -4.551792      4.174723
  C      -7.994061     -3.963944      2.995207
  C      -8.909006     -2.866809      3.471676
  C     -10.262311     -3.100354      3.757743
  C     -11.072757     -2.087334      4.269562
  C     -10.561491     -0.802430      4.507252
  C     -11.446786      0.286256      5.077501
  C     -12.018616     -0.069425      6.435175
  C     -13.395511     -0.250098      6.615574
  C     -13.915304     -0.596200      7.867800
  C     -13.059993     -0.765693      8.958442
  C     -11.681951     -0.586525      8.789789
  C     -11.168084     -0.243740      7.538643
  C      -9.213291     -0.563028      4.209982
  C      -8.400289     -1.579494      3.701185
  C      -3.416824     -6.337184      7.343386
  C      -2.845337     -5.161738      6.546585
  C      -1.440815     -4.685919      7.022442
  C      -0.296101     -5.660717      6.953687
  C      -0.145887     -6.703139      7.885117
  C       0.922145     -7.594372      7.797763
  C       1.884120     -7.477449      6.780768
  C       3.057618     -8.431147      6.714189
  C       4.003578     -8.273662      7.888830
  C       4.154336     -9.291872      8.838434
  C       5.016284     -9.132083      9.928832
  C       5.739823     -7.947448     10.081597
  C       5.596902     -6.923848      9.137682
  C       4.734562     -7.086564      8.053035
  C       1.750185     -6.424241      5.867002
  C       0.682078     -5.529639      5.957794
  H      -4.480112     -2.146651      0.146859
  H      -2.716285     -2.000084     -0.078096
  H      -3.654961     -0.617077      0.520804
  H      -4.167736     -1.670783      2.601942
  H      -1.989642     -0.499451      2.362252
  H      -2.117257     -1.637390      3.723649
  H      -0.873754     -3.740281      3.762879
  H       1.089913     -5.035830      2.957354
  H       2.619252     -4.731157     -0.253633
  H       2.725491     -5.474872      1.352286
  H       4.464691     -3.501602     -1.016549
  H       6.560866     -2.234124     -0.592603
  H       7.288456     -1.768298      1.746875
  H       5.902699     -2.580671      3.656050
  H       3.803235     -3.832967      3.227754
  H       1.616390     -2.231415     -0.259828
  H      -0.366659     -0.966579      0.512336
  H      -7.392987     -5.874721      5.889610
  H      -8.847212     -4.923036      5.489902
  H      -8.410729     -6.329092      4.494105
  H      -6.869591     -3.693105      4.787326
  H      -7.280917     -3.560034      2.259153
  H      -8.572771     -4.761936      2.503348
  H     -10.685061     -4.092680      3.578448
  H     -12.121574     -2.296280      4.495917
  H     -10.861727      1.216592      5.153639
  H     -12.277260      0.486430      4.381617
  H     -14.069560     -0.114307      5.765358
  H     -14.992143     -0.731205      7.989930
  H     -13.463428     -1.033274      9.937064
  H     -11.006858     -0.713105      9.639141
  H     -10.089921     -0.110509      7.410985
  H      -8.798713      0.435272      4.374609
  H      -7.353575     -1.366244      3.457677
  H      -4.426912     -6.579265      6.982833
  H      -2.796341     -7.240874      7.271992
  H      -3.484657     -6.064650      8.406532
  H      -3.491317     -4.292427      6.741025
  H      -1.184112     -3.790930      6.434977
  H      -1.589587     -4.356513      8.064555
  H      -0.865324     -6.808142      8.701155
  H       1.025168     -8.387500      8.543254
  H       3.605181     -8.256557      5.774292
  H       2.690111     -9.469234      6.687616
  H       3.593978    -10.223350      8.719679
  H       5.123273     -9.937667     10.658395
  H       6.414650     -7.821379     10.930521
  H       6.161675     -5.995617      9.248530
  H       4.623560     -6.280949      7.321738
  H       2.502457     -6.294378      5.083301
  H       0.612238     -4.698360      5.252464
  N      -4.559589     -2.935633      4.840479
  N      -4.816608     -1.954534      5.515217
  H      -5.791535     -1.587794      5.421605
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.033554880211
  N      -3.411815     -3.629428      2.248057
  C      -2.953881     -4.474441      1.147080
  C      -2.654183     -5.858549      1.669461
  N      -3.684479     -6.243205      2.673282
  C      -4.965688     -6.648288      2.032933
  C      -6.095792     -6.463658      3.027351
  N      -5.930854     -5.177541      3.709458
  Mo     -4.124169     -4.436949      3.888821
  N      -2.940902     -5.436865      5.114811
  C      -2.251567     -6.624872      4.604195
  C      -3.157042     -7.291303      3.588812
  H      -2.028694     -7.337651      5.410042
  H      -1.279251     -6.347824      4.164757
  H      -4.015672     -7.741492      4.105304
  H      -2.639667     -8.076067      3.011984
  H      -7.052591     -6.498723      2.481627
  H      -6.121010     -7.290997      3.759121
  H      -5.122089     -5.983571      1.172813
  H      -4.894734     -7.686007      1.667131
  H      -2.037340     -4.069021      0.691079
  H      -3.720011     -4.504203      0.350697
  H      -1.683000     -5.850958      2.180927
  H      -2.614628     -6.605945      0.859922
  C      -3.550746     -1.769128      0.565959
  C      -3.338568     -2.169674      2.026050
  C      -2.021365     -1.590568      2.626279
  C      -0.769526     -2.301441      2.193967
  C      -0.314623     -3.415392      2.912873
  C       0.790457     -4.149260      2.482093
  C       1.498533     -3.779733      1.331747
  C       2.724267     -4.550639      0.894225
  C       4.009876     -3.784354      1.135371
  C       4.796758     -3.341325      0.065946
  C       5.971873     -2.618644      0.293841
  C       6.374404     -2.330533      1.598817
  C       5.595807     -2.769548      2.674761
  C       4.423192     -3.488112      2.442943
  C       1.068870     -2.642722      0.630799
  C      -0.047443     -1.919792      1.051412
  C      -8.016723     -5.461947      5.044809
  C      -7.170691     -4.535267      4.171692
  C      -7.976893     -3.929139      2.991400
  C      -8.891014     -2.832296      3.469270
  C     -10.246009     -3.064405      3.744796
  C     -11.056367     -2.054141      4.260124
  C     -10.543108     -0.773594      4.511930
  C     -11.429496      0.312207      5.084512
  C     -12.010095     -0.053309      6.435030
  C     -13.387695     -0.234694      6.604485
  C     -13.915950     -0.589103      7.849825
  C     -13.068723     -0.766135      8.944641
  C     -11.690370     -0.585996      8.787070
  C     -11.167832     -0.235104      7.542565
  C      -9.193124     -0.535505      4.225027
  C      -8.380452     -1.549092      3.712465
  C      -3.460848     -6.403593      7.349265
  C      -2.902573     -5.211885      6.567604
  C      -1.510575     -4.713831      7.062252
  C      -0.342272     -5.656184      6.957928
  C      -0.168799     -6.731517      7.846162
  C       0.919966     -7.592170      7.725567
  C       1.878664     -7.412388      6.715863
  C       3.074936     -8.333219      6.614549
  C       4.019475     -8.189561      7.791254
  C       4.199174     -9.233674      8.706158
  C       5.060309     -9.087925      9.798040
  C       5.753950     -7.891597      9.987282
  C       5.581955     -6.842238      9.078423
  C       4.720441     -6.990976      7.992000
  C       1.720184     -6.328189      5.844432
  C       0.632244     -5.463276      5.968821
  H      -4.469326     -2.213882      0.157680
  H      -2.707285     -2.059959     -0.075213
  H      -3.651515     -0.676434      0.509291
  H      -4.155582     -1.714582      2.605567
  H      -1.981156     -0.526466      2.345496
  H      -2.107021     -1.642397      3.722338
  H      -0.843559     -3.713176      3.821499
  H       1.123352     -5.021143      3.052134
  H       2.648296     -4.795917     -0.176393
  H       2.753530     -5.505085      1.443592
  H       4.487518     -3.568550     -0.957511
  H       6.574412     -2.282199     -0.552080
  H       7.291923     -1.767726      1.779131
  H       5.905489     -2.550236      3.698516
  H       3.814584     -3.820571      3.288391
  H       1.623057     -2.316315     -0.252617
  H      -0.364301     -1.039973      0.485830
  H      -7.421215     -5.864880      5.876471
  H      -8.862982     -4.901289      5.465316
  H      -8.426655     -6.303593      4.467382
  H      -6.859623     -3.686910      4.795120
  H      -7.255050     -3.522544      2.265679
  H      -8.556077     -4.717344      2.485332
  H     -10.670484     -4.053263      3.553400
  H     -12.106773     -2.261909      4.478052
  H     -10.844377      1.241340      5.170477
  H     -12.255073      0.519328      4.385254
  H     -14.055481     -0.092683      5.750894
  H     -14.993296     -0.724572      7.963427
  H     -13.478871     -1.040109      9.918280
  H     -11.021643     -0.717569      9.640195
  H     -10.089312     -0.100765      7.423733
  H      -8.777296      0.460141      4.399515
  H      -7.332978     -1.335905      3.475049
  H      -4.463615     -6.658924      6.978468
  H      -2.825033     -7.295872      7.277000
  H      -3.542606     -6.141642      8.413603
  H      -3.568133     -4.356891      6.757029
  H      -1.279113     -3.793086      6.505649
  H      -1.665679     -4.422353      8.114306
  H      -0.885080     -6.885812      8.656238
  H       1.042200     -8.410254      8.439871
  H       3.614479     -8.115164      5.679466
  H       2.734330     -9.378771      6.554450
  H       3.662460    -10.174366      8.558287
  H       5.190378     -9.913750     10.500174
  H       6.428292     -7.776293     10.837648
  H       6.123739     -5.904650      9.217814
  H       4.586558     -6.165311      7.288148
  H       2.469097     -6.150063      5.067802
  H       0.544614     -4.606906      5.296312
  N      -4.541905     -2.935462      4.858070
  N      -4.786116     -1.945639      5.535484
  H      -5.774944     -1.619874      5.492002
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.034626667251
  N      -3.359894     -3.638036      2.173052
  C      -2.906661     -4.495609      1.084757
  C      -2.619041     -5.875819      1.628532
  N      -3.657508     -6.239424      2.627076
  C      -4.940029     -6.626505      1.985469
  C      -6.072723     -6.420844      2.975129
  N      -5.898290     -5.134784      3.650860
  Mo     -4.090046     -4.400546      3.822040
  N      -2.928326     -5.407557      5.058973
  C      -2.244901     -6.605729      4.574428
  C      -3.149730     -7.278834      3.558738
  H      -2.030957     -7.305212      5.393961
  H      -1.267334     -6.340516      4.137805
  H      -4.014503     -7.715897      4.075527
  H      -2.635400     -8.076703      2.996699
  H      -7.029998     -6.449877      2.429764
  H      -6.107225     -7.245329      3.710611
  H      -5.084033     -5.964718      1.121316
  H      -4.885490     -7.667250      1.624075
  H      -1.987702     -4.096859      0.626630
  H      -3.670306     -4.530556      0.285769
  H      -1.651200     -5.866891      2.145401
  H      -2.577203     -6.633610      0.828385
  C      -3.554512     -1.815766      0.448177
  C      -3.325396     -2.182833      1.914303
  C      -2.012603     -1.578113      2.494153
  C      -0.763679     -2.304454      2.082880
  C      -0.316991     -3.399424      2.834729
  C       0.791667     -4.144401      2.434717
  C       1.506921     -3.808445      1.278849
  C       2.744724     -4.579498      0.877392
  C       4.017916     -3.796440      1.127169
  C       4.818541     -3.363910      0.064245
  C       5.981883     -2.626254      0.299631
  C       6.358956     -2.312324      1.605601
  C       5.566563     -2.740305      2.674938
  C       4.405486     -3.473926      2.435685
  C       1.076944     -2.698249      0.537762
  C      -0.041276     -1.963105      0.928811
  C      -7.973857     -5.432349      5.000640
  C      -7.131414     -4.495636      4.133689
  C      -7.948839     -3.871621      2.970594
  C      -8.868619     -2.793087      3.477251
  C     -10.216443     -3.046616      3.766043
  C     -11.029302     -2.058751      4.317850
  C     -10.525588     -0.780157      4.594176
  C     -11.413390      0.279043      5.210950
  C     -11.960570     -0.130322      6.562003
  C     -13.331208     -0.336870      6.754360
  C     -13.828091     -0.731715      7.999587
  C     -12.956223     -0.924583      9.071442
  C     -11.584937     -0.719627      8.890969
  C     -11.093454     -0.328426      7.646423
  C      -9.183787     -0.519808      4.291687
  C      -8.368660     -1.510900      3.742624
  C      -3.502124     -6.342777      7.299692
  C      -2.930018     -5.163688      6.509226
  C      -1.548445     -4.657795      7.030596
  C      -0.384449     -5.607683      6.955638
  C      -0.246534     -6.684350      7.847784
  C       0.832825     -7.559179      7.754590
  C       1.817098     -7.393784      6.768537
  C       3.002263     -8.330738      6.697260
  C       3.927037     -8.185920      7.888664
  C       4.076986     -9.222345      8.816888
  C       4.921277     -9.076983      9.920927
  C       5.627805     -7.888798     10.109293
  C       5.485417     -6.847293      9.187553
  C       4.640487     -6.995441      8.088747
  C       1.694090     -6.308859      5.893388
  C       0.615418     -5.429439      5.990192
  H      -4.472080     -2.278254      0.058924
  H      -2.714161     -2.110458     -0.194463
  H      -3.667683     -0.726272      0.367979
  H      -4.146388     -1.733780      2.492417
  H      -1.972095     -0.521364      2.187741
  H      -2.099890     -1.599247      3.590769
  H      -0.852909     -3.670769      3.747138
  H       1.122413     -4.994684      3.036564
  H       2.690173     -4.845497     -0.189217
  H       2.774500     -5.523598      1.443652
  H       4.529114     -3.611399     -0.959812
  H       6.595295     -2.298252     -0.541251
  H       7.267469     -1.737745      1.791821
  H       5.856537     -2.500780      3.699475
  H       3.785464     -3.796769      3.275815
  H       1.636705     -2.397983     -0.350893
  H      -0.353305     -1.100299      0.335808
  H      -7.374855     -5.840655      5.826625
  H      -8.820162     -4.878959      5.429087
  H      -8.384500     -6.268733      4.417314
  H      -6.811484     -3.659008      4.768093
  H      -7.234856     -3.445635      2.248512
  H      -8.526179     -4.652151      2.451365
  H     -10.632840     -4.034904      3.557356
  H     -12.073270     -2.283544      4.547250
  H     -10.839560      1.213693      5.308712
  H     -12.255217      0.493682      4.534107
  H     -14.018106     -0.182496      5.918878
  H     -14.900365     -0.886390      8.131259
  H     -13.341896     -1.230179     10.045213
  H     -10.897266     -0.862826      9.726437
  H     -10.020092     -0.174838      7.509597
  H      -8.776112      0.475263      4.484799
  H      -7.327831     -1.280254      3.495756
  H      -4.497897     -6.604409      6.915340
  H      -2.866045     -7.235865      7.257330
  H      -3.604567     -6.062917      8.357140
  H      -3.604022     -4.308970      6.665931
  H      -1.306291     -3.740247      6.474203
  H      -1.722690     -4.360602      8.077715
  H      -0.983593     -6.828592      8.639929
  H       0.927056     -8.377385      8.472194
  H       3.560804     -8.131511      5.769431
  H       2.649854     -9.372285      6.642068
  H       3.530348    -10.156832      8.669368
  H       5.028443     -9.896865     10.633184
  H       6.289274     -7.773734     10.969217
  H       6.037830     -5.916308      9.326184
  H       4.529875     -6.175799      7.374720
  H       2.462913     -6.142049      5.134587
  H       0.556732     -4.574479      5.314167
  N      -4.491494     -2.875585      4.780546
  N      -4.719680     -1.871063      5.450094
  H      -5.719260     -1.584756      5.449562
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.035303309985
  N      -3.324632     -3.653692      2.160007
  C      -2.878290     -4.515295      1.072266
  C      -2.614180     -5.899509      1.619563
  N      -3.665162     -6.249138      2.609298
  C      -4.950098     -6.611739      1.958411
  C      -6.089225     -6.389325      2.938429
  N      -5.903320     -5.106718      3.619098
  Mo     -4.089831     -4.389515      3.801981
  N      -2.959300     -5.420434      5.045279
  C      -2.278028     -6.624585      4.572420
  C      -3.178753     -7.292652      3.547096
  H      -2.075693     -7.322288      5.395974
  H      -1.294996     -6.366187      4.144266
  H      -4.051638     -7.721550      4.056906
  H      -2.666180     -8.097379      2.993056
  H      -7.042389     -6.404600      2.385211
  H      -6.141527     -7.215573      3.671219
  H      -5.076708     -5.945323      1.095225
  H      -4.913782     -7.652012      1.592975
  H      -1.951042     -4.127311      0.621463
  H      -3.635759     -4.537794      0.267137
  H      -1.650557     -5.900242      2.144293
  H      -2.572158     -6.657751      0.819717
  C      -3.513681     -1.835633      0.425966
  C      -3.286560     -2.198247      1.892902
  C      -1.969329     -1.600962      2.475787
  C      -0.724395     -2.346043      2.084547
  C      -0.294896     -3.433647      2.858124
  C       0.809479     -4.196208      2.480171
  C       1.537110     -3.886499      1.324471
  C       2.772781     -4.672550      0.946075
  C       4.048769     -3.900266      1.215541
  C       4.870399     -3.476751      0.164859
  C       6.036529     -2.749304      0.417734
  C       6.395424     -2.436442      1.729195
  C       5.581903     -2.855097      2.786337
  C       4.418147     -3.578805      2.529635
  C       1.123282     -2.785448      0.560877
  C       0.009904     -2.031597      0.930626
  C      -7.983157     -5.405333      4.965412
  C      -7.131376     -4.463824      4.112407
  C      -7.942337     -3.816469      2.957899
  C      -8.865569     -2.748970      3.481216
  C     -10.213198     -3.011612      3.763632
  C     -11.029178     -2.036545      4.333523
  C     -10.528619     -0.762254      4.635084
  C     -11.418409      0.281584      5.274352
  C     -11.956299     -0.156843      6.619859
  C     -13.324714     -0.376179      6.815230
  C     -13.812456     -0.798145      8.055215
  C     -12.933557     -1.005990      9.118702
  C     -11.564496     -0.789039      8.934998
  C     -11.082043     -0.370622      7.695590
  C      -9.187502     -0.492437      4.338070
  C      -8.369269     -1.470685      3.770915
  C      -3.574066     -6.370869      7.273573
  C      -3.004225     -5.182220      6.496731
  C      -1.641628     -4.651389      7.044361
  C      -0.454016     -5.569260      6.946237
  C      -0.286494     -6.662120      7.813627
  C       0.811901     -7.510114      7.695379
  C       1.786908     -7.300322      6.708560
  C       2.992901     -8.207792      6.611077
  C       3.926968     -8.056520      7.794545
  C       4.111729     -9.101888      8.706594
  C       4.964044     -8.951595      9.803856
  C       5.643823     -7.749301     10.001719
  C       5.466261     -6.698701      9.096522
  C       4.613461     -6.851905      8.004274
  C       1.634698     -6.198841      5.859113
  C       0.536665     -5.346400      5.980472
  H      -4.437519     -2.289190      0.040953
  H      -2.678022     -2.142585     -0.216984
  H      -3.614780     -0.745359      0.340814
  H      -4.105879     -1.744930      2.469844
  H      -1.913162     -0.546970      2.162454
  H      -2.066068     -1.611121      3.571719
  H      -0.842494     -3.687622      3.768599
  H       1.124869     -5.039749      3.099738
  H       2.733821     -4.940852     -0.120577
  H       2.785223     -5.615569      1.514837
  H       4.595191     -3.723559     -0.863280
  H       6.666306     -2.428385     -0.413734
  H       7.306067     -1.869886      1.929094
  H       5.857604     -2.616424      3.815005
  H       3.781788     -3.894221      3.360305
  H       1.691833     -2.506870     -0.329330
  H      -0.288537     -1.176252      0.320018
  H      -7.389716     -5.825274      5.789684
  H      -8.828344     -4.852514      5.396491
  H      -8.396262     -6.232935      4.371650
  H      -6.803960     -3.640450      4.760341
  H      -7.224277     -3.376085      2.248528
  H      -8.516465     -4.586064      2.418944
  H     -10.626979     -3.996609      3.535099
  H     -12.072852     -2.268278      4.557346
  H     -10.848697      1.217091      5.386969
  H     -12.264288      0.505257      4.605492
  H     -14.016823     -0.210407      5.986281
  H     -14.882999     -0.962351      8.189413
  H     -13.312035     -1.332839     10.088388
  H     -10.871470     -0.944027      9.763919
  H     -10.010215     -0.207996      7.556009
  H      -8.782576      0.499730      4.550877
  H      -7.328815     -1.232349      3.530143
  H      -4.558902     -6.645795      6.870199
  H      -2.925638     -7.255235      7.243555
  H      -3.701327     -6.094044      8.329129
  H      -3.697639     -4.340623      6.638992
  H      -1.422862     -3.714478      6.511199
  H      -1.826836     -4.384552      8.097765
  H      -1.014604     -6.840303      8.607058
  H       0.928381     -8.341962      8.393859
  H       3.536240     -7.983590      5.679888
  H       2.664957     -9.256673      6.545677
  H       3.585889    -10.047029      8.551537
  H       5.098377     -9.778408     10.503386
  H       6.311438     -7.630115     10.856323
  H       5.997357     -5.756531      9.242779
  H       4.475131     -6.025084      7.303509
  H       2.394711     -5.998130      5.099556
  H       0.454838     -4.479778      5.321386
  N      -4.473142     -2.861951      4.757394
  N      -4.685606     -1.853484      5.424764
  H      -5.695050     -1.606268      5.483155
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.035766937511
  N      -3.299096     -3.657044      2.119993
  C      -2.864607     -4.522223      1.027386
  C      -2.607605     -5.909118      1.573370
  N      -3.657556     -6.251960      2.568073
  C      -4.950419     -6.600198      1.922385
  C      -6.084789     -6.370649      2.906639
  N      -5.887238     -5.090307      3.592188
  Mo     -4.069186     -4.380173      3.765521
  N      -2.947969     -5.426208      5.004278
  C      -2.272040     -6.636172      4.531842
  C      -3.176655     -7.299543      3.505476
  H      -2.072525     -7.334867      5.354989
  H      -1.289047     -6.382828      4.102105
  H      -4.051296     -7.723671      4.016554
  H      -2.668382     -8.107546      2.952623
  H      -7.038765     -6.377389      2.354677
  H      -6.141854     -7.198854      3.636712
  H      -5.074748     -5.929020      1.062361
  H      -4.928871     -7.638983      1.552178
  H      -1.936950     -4.140248      0.572809
  H      -3.625294     -4.538229      0.225729
  H      -1.641446     -5.913885      2.094176
  H      -2.571624     -6.666700      0.772812
  C      -3.519758     -1.848876      0.376690
  C      -3.275730     -2.200647      1.842721
  C      -1.959341     -1.581906      2.411057
  C      -0.708785     -2.320566      2.022932
  C      -0.257257     -3.388623      2.811594
  C       0.849053     -4.148240      2.431963
  C       1.557008     -3.854148      1.260104
  C       2.791316     -4.639636      0.876501
  C       4.068054     -3.864914      1.138515
  C       4.883025     -3.440867      0.082487
  C       6.050193     -2.711905      0.327993
  C       6.416911     -2.398078      1.637449
  C       5.610088     -2.817293      2.699912
  C       4.445310     -3.542618      2.450510
  C       1.124521     -2.769351      0.483846
  C       0.009564     -2.018136      0.855779
  C      -7.954683     -5.395549      4.958907
  C      -7.108994     -4.448956      4.105595
  C      -7.926845     -3.788876      2.963385
  C      -8.853173     -2.731828      3.502659
  C     -10.198899     -3.003904      3.787415
  C     -11.017950     -2.037855      4.368965
  C     -10.522574     -0.763326      4.679862
  C     -11.414516      0.270697      5.332539
  C     -11.935233     -0.180081      6.681109
  C     -13.299734     -0.413443      6.889186
  C     -13.770875     -0.846911      8.132019
  C     -12.878977     -1.052319      9.185582
  C     -11.513591     -0.821665      8.988996
  C     -11.047693     -0.391887      7.746736
  C      -9.183701     -0.484151      4.380597
  C      -8.362173     -1.453553      3.802253
  C      -3.612516     -6.398011      7.209767
  C      -3.024730     -5.202458      6.458611
  C      -1.676261     -4.676506      7.044274
  C      -0.488798     -5.597591      6.970536
  C      -0.341670     -6.687925      7.845259
  C       0.757313     -7.539045      7.753570
  C       1.754198     -7.334237      6.787425
  C       2.962313     -8.242083      6.721609
  C       3.878018     -8.071454      7.917357
  C       4.049080     -9.102514      8.848695
  C       4.883242     -8.933999      9.957653
  C       5.558592     -7.727572     10.147944
  C       5.394703     -6.691235      9.223446
  C       4.559895     -6.862599      8.119614
  C       1.621624     -6.235649      5.930693
  C       0.522302     -5.380514      6.025131
  H      -4.445698     -2.309417      0.004380
  H      -2.689274     -2.155844     -0.273371
  H      -3.627266     -0.759428      0.286799
  H      -4.095247     -1.753225      2.424129
  H      -1.913472     -0.531779      2.083540
  H      -2.050243     -1.578019      3.507681
  H      -0.791676     -3.633690      3.732243
  H       1.179004     -4.978031      3.062374
  H       2.747076     -4.909290     -0.189653
  H       2.808247     -5.581748      1.447035
  H       4.601990     -3.688797     -0.944031
  H       6.674713     -2.390732     -0.507571
  H       7.328383     -1.830515      1.831597
  H       5.891924     -2.578060      3.726993
  H       3.814540     -3.858779      3.285529
  H       1.676376     -2.503849     -0.421039
  H      -0.306065     -1.178227      0.232141
  H      -7.354562     -5.821822      5.775473
  H      -8.795370     -4.844433      5.401066
  H      -8.373676     -6.218739      4.362830
  H      -6.772784     -3.632503      4.758320
  H      -7.212137     -3.335647      2.258579
  H      -8.498134     -4.554059      2.414788
  H     -10.608946     -3.988703      3.550482
  H     -12.060132     -2.276607      4.593396
  H     -10.850545      1.209769      5.445468
  H     -12.268518      0.491754      4.673034
  H     -14.001814     -0.249750      6.067994
  H     -14.838588     -1.021830      8.276313
  H     -13.244512     -1.387872     10.157459
  H     -10.810506     -0.974898      9.809995
  H      -9.978609     -0.218875      7.596774
  H      -8.783060      0.508489      4.600251
  H      -7.323455     -1.207517      3.560472
  H      -4.589449     -6.666881      6.782781
  H      -2.965307     -7.283865      7.184014
  H      -3.761862     -6.131485      8.265309
  H      -3.722807     -4.363302      6.593576
  H      -1.443454     -3.736896      6.521560
  H      -1.885997     -4.416817      8.094859
  H      -1.086044     -6.860754      8.625183
  H       0.857152     -8.368711      8.457571
  H       3.520062     -8.031137      5.795694
  H       2.636072     -9.292215      6.667414
  H       3.526407    -10.050668      8.700014
  H       5.006776     -9.749657     10.672388
  H       6.212007     -7.594097     11.011604
  H       5.922193     -5.745915      9.363792
  H       4.432011     -6.046618      7.403937
  H       2.398615     -6.038500      5.187213
  H       0.455943     -4.517340      5.359637
  N      -4.434205     -2.853428      4.723954
  N      -4.631591     -1.843003      5.390242
  H      -5.644843     -1.633804      5.524504
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036090589839
  N      -3.268811     -3.626534      2.088654
  C      -2.833498     -4.498374      0.999527
  C      -2.584442     -5.885167      1.551332
  N      -3.638823     -6.220881      2.544378
  C      -4.933106     -6.563992      1.896612
  C      -6.069714     -6.327988      2.877034
  N      -5.870804     -5.046943      3.563829
  Mo     -4.051843     -4.336450      3.735145
  N      -2.942777     -5.384102      4.982740
  C      -2.263263     -6.596778      4.516846
  C      -3.163934     -7.265614      3.489056
  H      -2.065004     -7.291849      5.343099
  H      -1.280197     -6.343705      4.087488
  H      -4.041503     -7.686477      3.998087
  H      -2.652696     -8.076659      2.943624
  H      -7.020943     -6.332252      2.320274
  H      -6.132608     -7.154790      3.608062
  H      -5.052290     -5.892774      1.035618
  H      -4.918097     -7.603131      1.527241
  H      -1.901014     -4.122135      0.549767
  H      -3.589558     -4.511618      0.193984
  H      -1.620636     -5.889852      2.076846
  H      -2.546423     -6.645348      0.753469
  C      -3.473918     -1.818649      0.341141
  C      -3.232566     -2.170163      1.807373
  C      -1.910003     -1.563533      2.372835
  C      -0.670365     -2.324041      1.991448
  C      -0.236123     -3.394709      2.786051
  C       0.858634     -4.173906      2.411376
  C       1.571852     -3.897334      1.238084
  C       2.794996     -4.702991      0.859738
  C       4.084011     -3.954512      1.140027
  C       4.914630     -3.534815      0.094329
  C       6.093178     -2.829743      0.355805
  C       6.455812     -2.535900      1.671211
  C       5.633455     -2.951216      2.723485
  C       4.457409     -3.652649      2.458108
  C       1.155405     -2.811388      0.454551
  C       0.051902     -2.040658      0.821920
  C      -7.925682     -5.371320      4.946118
  C      -7.090857     -4.414317      4.094396
  C      -7.918000     -3.745289      2.964591
  C      -8.859265     -2.710359      3.520916
  C     -10.201794     -3.005119      3.799557
  C     -11.034821     -2.059293      4.394685
  C     -10.557246     -0.782796      4.725630
  C     -11.463206      0.229008      5.394137
  C     -11.965061     -0.244274      6.742555
  C     -13.323036     -0.507085      6.958594
  C     -13.775924     -0.961102      8.201121
  C     -12.872004     -1.157580      9.246332
  C     -11.512899     -0.897457      9.041707
  C     -11.065181     -0.447417      7.799760
  C      -9.221683     -0.481086      4.433067
  C      -8.385853     -1.430514      3.841639
  C      -3.653335     -6.375072      7.166941
  C      -3.054436     -5.171646      6.437733
  C      -1.721434     -4.646158      7.053735
  C      -0.531319     -5.564057      6.982549
  C      -0.386521     -6.655469      7.856222
  C       0.712082     -7.507429      7.765441
  C       1.710212     -7.302691      6.800260
  C       2.918181     -8.210995      6.735832
  C       3.843495     -8.024543      7.922269
  C       4.021438     -9.043130      8.866176
  C       4.863750     -8.859784      9.966823
  C       5.540655     -7.650863     10.135961
  C       5.370176     -6.626997      9.198562
  C       4.527130     -6.813115      8.103224
  C       1.578579     -6.204176      5.943006
  C       0.479831     -5.347822      6.037188
  H      -4.407722     -2.265942     -0.028158
  H      -2.649605     -2.139969     -0.310122
  H      -3.564982     -0.727718      0.249790
  H      -4.046776     -1.713653      2.389530
  H      -1.849149     -0.517336      2.035622
  H      -2.002267     -1.550173      3.469350
  H      -0.774238     -3.625567      3.708169
  H       1.174553     -5.005322      3.047311
  H       2.755869     -4.961923     -0.209248
  H       2.789627     -5.649962      1.422433
  H       4.636891     -3.767215     -0.936864
  H       6.729793     -2.511633     -0.471946
  H       7.376145     -1.987100      1.877841
  H       5.911936     -2.727704      3.755157
  H       3.815028     -3.966045      3.285436
  H       1.710643     -2.560411     -0.452568
  H      -0.250745     -1.200158      0.192432
  H      -7.316765     -5.803171      5.753417
  H      -8.763815     -4.826339      5.400826
  H      -8.347156     -6.190637      4.346220
  H      -6.752143     -3.602464      4.752156
  H      -7.208546     -3.269457      2.269410
  H      -8.476974     -4.509141      2.401390
  H     -10.598203     -3.991800      3.547029
  H     -12.074157     -2.315698      4.613538
  H     -10.914952      1.176718      5.512696
  H     -12.326056      0.440840      4.743151
  H     -14.034506     -0.350385      6.143959
  H     -14.838899     -1.158807      8.351853
  H     -13.223424     -1.508800     10.218032
  H     -10.800555     -1.043618      9.856182
  H     -10.000879     -0.251452      7.643219
  H      -8.834584      0.513383      4.668832
  H      -7.349252     -1.167348      3.608346
  H      -4.620398     -6.644105      6.717661
  H      -3.002398     -7.258742      7.147792
  H      -3.825732     -6.116739      8.221137
  H      -3.759618     -4.336804      6.565096
  H      -1.484775     -3.699127      6.546243
  H      -1.947744     -4.403232      8.104765
  H      -1.133352     -6.829203      8.634114
  H       0.809707     -8.338661      8.468140
  H       3.468695     -8.011211      5.803053
  H       2.591691     -9.261774      6.698125
  H       3.497496     -9.993216      8.734204
  H       4.992434     -9.665824     10.691688
  H       6.200467     -7.505851     10.993041
  H       5.898763     -5.679806      9.322261
  H       4.394256     -6.006654      7.377489
  H       2.355735     -6.007881      5.199307
  H       0.413373     -4.485672      5.370101
  N      -4.412382     -2.805086      4.686213
  N      -4.605158     -1.787217      5.342175
  H      -5.613944     -1.614010      5.545094
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036359899154
  N      -3.249954     -3.597604      2.045388
  C      -2.824000     -4.478322      0.958397
  C      -2.584264     -5.865284      1.514228
  N      -3.637175     -6.190218      2.512140
  C      -4.935504     -6.528646      1.869610
  C      -6.069009     -6.283091      2.850954
  N      -5.863548     -5.001417      3.535966
  Mo     -4.041280     -4.294159      3.696277
  N      -2.941402     -5.342588      4.950550
  C      -2.261208     -6.556765      4.485332
  C      -3.163998     -7.231364      3.462030
  H      -2.057486     -7.248460      5.312608
  H      -1.281774     -6.302485      4.049359
  H      -4.042319     -7.648238      3.972941
  H      -2.652660     -8.045405      2.921259
  H      -7.019896     -6.283399      2.293369
  H      -6.136309     -7.106650      3.585029
  H      -5.052474     -5.859343      1.006735
  H      -4.928813     -7.569073      1.503785
  H      -1.888131     -4.111832      0.507691
  H      -3.581237     -4.485828      0.154133
  H      -1.619601     -5.873545      2.037977
  H      -2.553112     -6.628471      0.719058
  C      -3.413564     -1.788238      0.295586
  C      -3.184060     -2.142986      1.763072
  C      -1.853706     -1.559246      2.333914
  C      -0.625181     -2.340985      1.959396
  C      -0.212251     -3.418280      2.755772
  C       0.872955     -4.213867      2.387961
  C       1.597558     -3.947649      1.219091
  C       2.812121     -4.769893      0.848918
  C       4.109955     -4.051980      1.167057
  C       4.964827     -3.624865      0.144325
  C       6.151623     -2.947834      0.440034
  C       6.498182     -2.689826      1.767163
  C       5.651534     -3.113000      2.796691
  C       4.467446     -3.786441      2.497180
  C       1.201757     -2.855786      0.433014
  C       0.107846     -2.068534      0.794142
  C      -7.897916     -5.341046      4.944800
  C      -7.078820     -4.376242      4.087555
  C      -7.921007     -3.704320      2.971392
  C      -8.878881     -2.693284      3.543006
  C     -10.215689     -3.014499      3.820001
  C     -11.064521     -2.090142      4.426049
  C     -10.609559     -0.808779      4.769227
  C     -11.531665      0.179212      5.451129
  C     -12.000570     -0.307330      6.806915
  C     -13.347215     -0.607871      7.042641
  C     -13.769079     -1.073677      8.291664
  C     -12.844976     -1.244269      9.323543
  C     -11.496822     -0.946462      9.099104
  C     -11.080026     -0.484833      7.850808
  C      -9.279779     -0.480733      4.478879
  C      -8.427540     -1.409200      3.877549
  C      -3.691609     -6.358170      7.113153
  C      -3.083609     -5.145828      6.406021
  C      -1.766642     -4.619343      7.052171
  C      -0.570834     -5.530100      6.983174
  C      -0.426648     -6.623415      7.853911
  C       0.673411     -7.473412      7.763263
  C       1.673362     -7.263976      6.801074
  C       2.883240     -8.169688      6.737693
  C       3.818669     -7.963840      7.913178
  C       4.004833     -8.966986      8.871717
  C       4.855962     -8.765569      9.962271
  C       5.533637     -7.553932     10.106386
  C       5.355220     -6.545470      9.153963
  C       4.503305     -6.749550      8.068882
  C       1.542142     -6.163198      5.946591
  C       0.442155     -5.308665      6.041101
  H      -4.356565     -2.214204     -0.075544
  H      -2.595712     -2.129555     -0.353537
  H      -3.478891     -0.695563      0.203526
  H      -3.991167     -1.671104      2.342814
  H      -1.773770     -0.515751      1.992872
  H      -1.950526     -1.541849      3.429900
  H      -0.758514     -3.639562      3.675274
  H       1.172098     -5.049748      3.026386
  H       2.788380     -5.006995     -0.225421
  H       2.778846     -5.726733      1.393487
  H       4.699769     -3.829183     -0.896046
  H       6.807265     -2.623525     -0.370198
  H       7.424862     -2.162963      2.000484
  H       5.917268     -2.917657      3.837348
  H       3.806599     -4.106473      3.307173
  H       1.766150     -2.612874     -0.470555
  H      -0.177436     -1.222980      0.163460
  H      -7.275291     -5.778183      5.738627
  H      -8.729057     -4.800461      5.417123
  H      -8.327394     -6.156697      4.345665
  H      -6.735034     -3.565781      4.744820
  H      -7.220609     -3.206290      2.282785
  H      -8.466604     -4.470008      2.397703
  H     -10.594871     -4.005538      3.558329
  H     -12.098696     -2.367670      4.643537
  H     -11.005920      1.140329      5.562948
  H     -12.409439      0.368352      4.813525
  H     -14.074537     -0.471313      6.238507
  H     -14.823784     -1.300700      8.458000
  H     -13.172343     -1.604424     10.300301
  H     -10.768924     -1.072312      9.903084
  H     -10.024150     -0.259496      7.678491
  H      -8.909687      0.517787      4.724480
  H      -7.395257     -1.125866      3.649254
  H      -4.648102     -6.628060      6.642410
  H      -3.035850     -7.238368      7.100410
  H      -3.886556     -6.108682      8.165490
  H      -3.796216     -4.315974      6.528149
  H      -1.528570     -3.662965      6.563610
  H      -2.010860     -4.396987      8.103506
  H      -1.177091     -6.801822      8.627390
  H       0.769903     -8.307538      8.462587
  H       3.425018     -7.980875      5.797600
  H       2.559109     -9.221539      6.718221
  H       3.480379     -9.919242      8.759426
  H       4.990970     -9.559741     10.698904
  H       6.200308     -7.394958     10.955570
  H       5.884372     -5.596298      9.257951
  H       4.364724     -5.955012      7.331231
  H       2.320354     -5.963670      5.204956
  H       0.375776     -4.444558      5.376593
  N      -4.390312     -2.755826      4.639707
  N      -4.574645     -1.726659      5.280931
  H      -5.570640     -1.576413      5.548853
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036548329032
  N      -3.243981     -3.566832      2.008815
  C      -2.827540     -4.453879      0.922807
  C      -2.591651     -5.841036      1.479535
  N      -3.638194     -6.159188      2.485743
  C      -4.939734     -6.500282      1.852075
  C      -6.068515     -6.250652      2.837309
  N      -5.859354     -4.968392      3.519876
  Mo     -4.036603     -4.257438      3.664888
  N      -2.938034     -5.301153      4.923486
  C      -2.253623     -6.512066      4.454949
  C      -3.159038     -7.195064      3.438821
  H      -2.036668     -7.200063      5.281836
  H      -1.280892     -6.250331      4.008904
  H      -4.034749     -7.612170      3.953623
  H      -2.645934     -8.009191      2.899815
  H      -7.020866     -6.250149      2.281996
  H      -6.134984     -7.071465      3.574367
  H      -5.059954     -5.834505      0.986932
  H      -4.935435     -7.542333      1.490922
  H      -1.890976     -4.093407      0.468934
  H      -3.588599     -4.457295      0.122091
  H      -1.623733     -5.852348      1.996792
  H      -2.570332     -6.606368      0.686120
  C      -3.355684     -1.751163      0.261747
  C      -3.145210     -2.114674      1.730311
  C      -1.808397     -1.558793      2.312567
  C      -0.590814     -2.358241      1.940455
  C      -0.201477     -3.448743      2.730166
  C       0.875299     -4.256799      2.365625
  C       1.614081     -3.990991      1.205671
  C       2.820399     -4.826896      0.840063
  C       4.124457     -4.146372      1.210829
  C       5.008688     -3.700811      0.221832
  C       6.202159     -3.059565      0.565685
  C       6.525868     -2.856197      1.907807
  C       5.649671     -3.298050      2.903911
  C       4.459136     -3.935782      2.556425
  C       1.241075     -2.886941      0.425543
  C       0.155841     -2.086874      0.783875
  C      -7.870996     -5.322254      4.958652
  C      -7.070497     -4.351954      4.090603
  C      -7.930261     -3.685555      2.985279
  C      -8.903405     -2.694850      3.566104
  C     -10.234341     -3.039345      3.842640
  C     -11.098784     -2.131116      4.450368
  C     -10.666151     -0.842927      4.795863
  C     -11.605408      0.127656      5.478834
  C     -12.040635     -0.354792      6.847354
  C     -13.374161     -0.692109      7.105392
  C     -13.765062     -1.153478      8.365869
  C     -12.822624     -1.282744      9.386828
  C     -11.487290     -0.947919      9.140047
  C     -11.101332     -0.490799      7.880492
  C      -9.341720     -0.492471      4.508046
  C      -8.473620     -1.404848      3.905116
  C      -3.711444     -6.341684      7.067600
  C      -3.101508     -5.119857      6.378416
  C      -1.796382     -4.592498      7.046774
  C      -0.594864     -5.495598      6.975718
  C      -0.450240     -6.594469      7.838701
  C       0.651348     -7.441825      7.743340
  C       1.652068     -7.223115      6.784429
  C       2.863416     -8.126310      6.716365
  C       3.811200     -7.905675      7.879271
  C       4.002582     -8.894513      8.851166
  C       4.864550     -8.679493      9.930284
  C       5.547997     -7.468619     10.049289
  C       5.364620     -6.474439      9.083159
  C       4.501818     -6.691988      8.009595
  C       1.520861     -6.115793      5.938463
  C       0.419339     -5.264315      6.037416
  H      -4.305734     -2.153282     -0.117450
  H      -2.541983     -2.110094     -0.382778
  H      -3.393968     -0.657061      0.172548
  H      -3.946129     -1.627315      2.305768
  H      -1.709284     -0.515692      1.975472
  H      -1.911242     -1.544715      3.407894
  H      -0.759463     -3.668678      3.642974
  H       1.155957     -5.102412      2.999361
  H       2.818132     -5.030251     -0.241254
  H       2.755363     -5.798658      1.354278
  H       4.761796     -3.862616     -0.830273
  H       6.881006     -2.720389     -0.218787
  H       7.457667     -2.357300      2.178639
  H       5.897305     -3.145506      3.956023
  H       3.775630     -4.271100      3.340882
  H       1.816732     -2.644940     -0.470994
  H      -0.111195     -1.231795      0.158312
  H      -7.232552     -5.762249      5.738122
  H      -8.693512     -4.785255      5.449443
  H      -8.310503     -6.136014      4.364495
  H      -6.722651     -3.538641      4.742413
  H      -7.240728     -3.170672      2.298278
  H      -8.463595     -4.456609      2.407409
  H     -10.596966     -4.035766      3.578288
  H     -12.128183     -2.426833      4.666208
  H     -11.105185      1.104209      5.571540
  H     -12.497697      0.283145      4.852790
  H     -14.115947     -0.587590      6.309840
  H     -14.810097     -1.409362      8.549724
  H     -13.125959     -1.639304     10.372502
  H     -10.745383     -1.041162      9.935472
  H     -10.055375     -0.236177      7.690630
  H      -8.988330      0.511654      4.754970
  H      -7.446188     -1.103322      3.679167
  H      -4.659280     -6.614450      6.581648
  H      -3.048961     -7.216784      7.058326
  H      -3.922683     -6.100716      8.118609
  H      -3.821068     -4.295161      6.498588
  H      -1.559367     -3.626712      6.576985
  H      -2.054026     -4.390673      8.098920
  H      -1.203179     -6.780560      8.607792
  H       0.748001     -8.281500      8.435765
  H       3.394451     -7.946009      5.768612
  H       2.541316     -9.178771      6.712325
  H       3.473651     -9.846261      8.758593
  H       5.003575     -9.462670     10.677704
  H       6.223103     -7.299245     10.889604
  H       5.898319     -5.525998      9.167403
  H       4.360056     -5.908548      7.260907
  H       2.299576     -5.909476      5.199414
  H       0.352506     -4.394962      5.380158
  N      -4.379972     -2.713902      4.601525
  N      -4.560490     -1.672972      5.224992
  H      -5.538493     -1.547065      5.558644
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036661345383
  N      -3.225494     -3.559187      1.984562
  C      -2.817357     -4.457712      0.904916
  C      -2.590827     -5.843454      1.469087
  N      -3.635558     -6.146553      2.481202
  C      -4.939740     -6.486189      1.853557
  C      -6.065171     -6.225788      2.839723
  N      -5.847973     -4.942903      3.517890
  Mo     -4.023105     -4.234109      3.647294
  N      -2.931675     -5.273460      4.914953
  C      -2.249367     -6.487169      4.451233
  C      -3.158689     -7.176226      3.442240
  H      -2.026343     -7.169155      5.281481
  H      -1.279523     -6.226726      3.998124
  H      -4.035166     -7.586673      3.960761
  H      -2.647911     -7.995657      2.909057
  H      -7.018586     -6.221773      2.286182
  H      -6.134860     -7.042992      3.580463
  H      -5.058613     -5.825836      0.984136
  H      -4.940676     -7.530706      1.499529
  H      -1.879189     -4.106017      0.447735
  H      -3.580391     -4.460547      0.105957
  H      -1.620628     -5.860151      1.981661
  H      -2.580803     -6.614094      0.680622
  C      -3.312387     -1.756857      0.222003
  C      -3.113287     -2.111036      1.694638
  C      -1.775561     -1.557986      2.277730
  C      -0.559376     -2.360248      1.908338
  C      -0.167810     -3.444724      2.704897
  C       0.908107     -4.255169      2.343792
  C       1.643088     -3.997891      1.179634
  C       2.847173     -4.837464      0.816171
  C       4.152039     -4.173176      1.213037
  C       5.047307     -3.712740      0.241153
  C       6.242461     -3.088061      0.608182
  C       6.556857     -2.916170      1.956730
  C       5.669423     -3.372498      2.935904
  C       4.477297     -3.993750      2.565270
  C       1.268149     -2.899498      0.392787
  C       0.184439     -2.096567      0.748391
  C      -7.841660     -5.300492      4.981751
  C      -7.053281     -4.329012      4.104117
  C      -7.926154     -3.665607      3.007676
  C      -8.911523     -2.691246      3.595219
  C     -10.239906     -3.052261      3.862026
  C     -11.118930     -2.156635      4.467082
  C     -10.703534     -0.865480      4.821789
  C     -11.660280      0.091530      5.499190
  C     -12.080929     -0.387104      6.873736
  C     -13.405576     -0.753687      7.136884
  C     -13.784014     -1.211255      8.402310
  C     -12.837830     -1.307274      9.423252
  C     -11.511420     -0.942761      9.171510
  C     -11.137829     -0.489430      7.907044
  C      -9.380493     -0.499814      4.547264
  C      -8.498247     -1.398912      3.945090
  C      -3.737100     -6.321979      7.043554
  C      -3.117028     -5.098236      6.367065
  C      -1.819686     -4.576588      7.055809
  C      -0.618325     -5.479743      6.986343
  C      -0.481448     -6.585564      7.841380
  C       0.616593     -7.437095      7.742667
  C       1.620988     -7.215098      6.788799
  C       2.827780     -8.123923      6.716689
  C       3.787761     -7.896200      7.868166
  C       3.972047     -8.870628      8.855590
  C       4.844513     -8.649206      9.924691
  C       5.545737     -7.446471     10.017896
  C       5.369667     -6.466767      9.036025
  C       4.496339     -6.690592      7.972420
  C       1.498292     -6.099751      5.952224
  C       0.400361     -5.244449      6.054086
  H      -4.263880     -2.152790     -0.159598
  H      -2.498746     -2.127667     -0.415524
  H      -3.339984     -0.663239      0.124344
  H      -3.913533     -1.612892      2.261690
  H      -1.674074     -0.516617      1.936037
  H      -1.879416     -1.538736      3.372761
  H      -0.724247     -3.657017      3.620441
  H       1.189471     -5.096864      2.982084
  H       2.856502     -5.023845     -0.267982
  H       2.768762     -5.816549      1.314329
  H       4.807978     -3.850038     -0.816027
  H       6.930032     -2.737158     -0.163281
  H       7.489968     -2.430307      2.245655
  H       5.909525     -3.244472      3.992935
  H       3.785221     -4.340356      3.336833
  H       1.840492     -2.665107     -0.507773
  H      -0.084921     -1.246587      0.117132
  H      -7.191694     -5.745247      5.748860
  H      -8.654348     -4.763386      5.488258
  H      -8.293598     -6.110901      4.392575
  H      -6.698947     -3.514441      4.750798
  H      -7.244593     -3.137785      2.322636
  H      -8.450366     -4.439425      2.425334
  H     -10.590059     -4.050749      3.589177
  H     -12.146794     -2.464640      4.672360
  H     -11.181296      1.079602      5.580426
  H     -12.558270      0.220679      4.875577
  H     -14.150453     -0.674863      6.341382
  H     -14.822325     -1.490206      8.590047
  H     -13.131480     -1.660848     10.412810
  H     -10.766907     -1.009554      9.967014
  H     -10.098976     -0.210869      7.713536
  H      -9.039732      0.506916      4.800790
  H      -7.473087     -1.084175      3.727961
  H      -4.677569     -6.593554      6.543092
  H      -3.073968     -7.196442      7.042350
  H      -3.963651     -6.083399      8.091794
  H      -3.837350     -4.272851      6.479365
  H      -1.577619     -3.605231      6.600653
  H      -2.089202     -4.388109      8.107458
  H      -1.238380     -6.774380      8.605605
  H       0.707185     -8.283078      8.428012
  H       3.350272     -7.955495      5.762153
  H       2.500786     -9.174672      6.726673
  H       3.429179     -9.816116      8.783257
  H       4.977929     -9.421227     10.684491
  H       6.229094     -7.272314     10.850380
  H       5.917362     -5.524882      9.100008
  H       4.360939     -5.918388      7.211111
  H       2.279866     -5.891494      5.217040
  H       0.338866     -4.369773      5.403587
  N      -4.355367     -2.680419      4.570950
  N      -4.527915     -1.624771      5.171649
  H      -5.488294     -1.511014      5.555446
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036738790655
  N      -3.222496     -3.543047      1.957499
  C      -2.819036     -4.445513      0.879328
  C      -2.594553     -5.831161      1.444940
  N      -3.635216     -6.128528      2.463250
  C      -4.942321     -6.469408      1.842539
  C      -6.063292     -6.207367      2.833759
  N      -5.840488     -4.925759      3.512235
  Mo     -4.015719     -4.214733      3.625444
  N      -2.921514     -5.250181      4.893895
  C      -2.240580     -6.463934      4.428390
  C      -3.155237     -7.155589      3.426081
  H      -2.009409     -7.143585      5.258377
  H      -1.274419     -6.202375      3.968257
  H      -4.029803     -7.563374      3.949838
  H      -2.647616     -7.977283      2.893283
  H      -7.019524     -6.201161      2.285195
  H      -6.130933     -7.025140      3.574186
  H      -5.064994     -5.811165      0.972021
  H      -4.944294     -7.514712      1.490764
  H      -1.881713     -4.095913      0.418991
  H      -3.584349     -4.448826      0.082417
  H      -1.621007     -5.851643      1.951228
  H      -2.593550     -6.603434      0.658041
  C      -3.288268     -1.743395      0.190131
  C      -3.101799     -2.096547      1.664858
  C      -1.764572     -1.550280      2.255263
  C      -0.552058     -2.360610      1.892889
  C      -0.175724     -3.449033      2.691600
  C       0.893510     -4.270420      2.336357
  C       1.638213     -4.019447      1.176998
  C       2.835487     -4.871512      0.820659
  C       4.143134     -4.237142      1.255862
  C       5.059922     -3.764032      0.310386
  C       6.258062     -3.167008      0.711951
  C       6.554184     -3.035880      2.069182
  C       5.645214     -3.504860      3.022213
  C       4.450192     -4.098472      2.617095
  C       1.279239     -2.916868      0.388618
  C       0.201130     -2.103505      0.737561
  C      -7.818101     -5.287654      4.998229
  C      -7.041090     -4.314793      4.111882
  C      -7.927334     -3.654847      3.024257
  C      -8.918680     -2.691180      3.619250
  C     -10.246062     -3.061128      3.878363
  C     -11.133280     -2.173116      4.482785
  C     -10.726856     -0.881539      4.846409
  C     -11.694181      0.067223      5.520084
  C     -12.109582     -0.409851      6.896899
  C     -13.429056     -0.796032      7.158549
  C     -13.803846     -1.252347      8.425443
  C     -12.859205     -1.327316      9.449601
  C     -11.538171     -0.942856      9.199521
  C     -11.168154     -0.490771      7.933516
  C      -9.403941     -0.507981      4.582213
  C      -8.514075     -1.398758      3.978940
  C      -3.737626     -6.309137      7.012465
  C      -3.115670     -5.081672      6.344843
  C      -1.822278     -4.561949      7.044906
  C      -0.617607     -5.460381      6.973595
  C      -0.482278     -6.575628      7.816639
  C       0.618571     -7.423198      7.713604
  C       1.627745     -7.186901      6.768428
  C       2.837653     -8.091369      6.692496
  C       3.801365     -7.857825      7.839723
  C       3.977606     -8.821863      8.838793
  C       4.852317     -8.595066      9.904897
  C       5.563945     -7.397405      9.983380
  C       5.396094     -6.428217      8.989782
  C       4.520522     -6.657374      7.929044
  C       1.507419     -6.061177      5.945452
  C       0.406381     -5.210444      6.050752
  H      -4.238919     -2.134785     -0.198145
  H      -2.471886     -2.118852     -0.441011
  H      -3.309638     -0.649818      0.090580
  H      -3.902938     -1.592215      2.225159
  H      -1.655531     -0.509385      1.914210
  H      -1.874499     -1.530056      3.349645
  H      -0.741288     -3.655972      3.602856
  H       1.161193     -5.116384      2.974592
  H       2.863121     -5.036773     -0.266525
  H       2.731179     -5.858909      1.297352
  H       4.834987     -3.869307     -0.753607
  H       6.962356     -2.805741     -0.039388
  H       7.489690     -2.571918      2.385099
  H       5.870788     -3.408767      4.085826
  H       3.741541     -4.455045      3.368691
  H       1.858942     -2.688602     -0.508827
  H      -0.056803     -1.251144      0.104780
  H      -7.158193     -5.735478      5.755048
  H      -8.622846     -4.751006      5.517731
  H      -8.280249     -6.095870      4.413928
  H      -6.681188     -3.499219      4.754130
  H      -7.254370     -3.119294      2.336591
  H      -8.448436     -4.430904      2.442165
  H     -10.589704     -4.059800      3.597953
  H     -12.160845     -2.487370      4.679913
  H     -11.227969      1.061840      5.595563
  H     -12.594061      0.181417      4.896265
  H     -14.172877     -0.733503      6.360597
  H     -14.838123     -1.546788      8.611824
  H     -13.149957     -1.679975     10.440344
  H     -10.795078     -0.992906      9.997577
  H     -10.133600     -0.195774      7.741711
  H      -9.069526      0.499180      4.842396
  H      -7.489976     -1.076637      3.767704
  H      -4.673255     -6.581959      6.503671
  H      -3.071669     -7.181399      7.013908
  H      -3.972921     -6.074412      8.059661
  H      -3.837299     -4.257272      6.455446
  H      -1.580797     -3.585456      6.600523
  H      -2.098182     -4.383830      8.096807
  H      -1.242477     -6.774814      8.574881
  H       0.707881     -8.277104      8.389215
  H       3.355596     -7.923484      5.735450
  H       2.514143     -9.143107      6.706414
  H       3.426647     -9.763470      8.778025
  H       4.979514     -9.359061     10.673832
  H       6.249191     -7.219194     10.813451
  H       5.952119     -5.490510      9.042120
  H       4.392050     -5.893333      7.158326
  H       2.293032     -5.841786      5.217899
  H       0.345643     -4.328130      5.410550
  N      -4.340233     -2.656218      4.544245
  N      -4.506713     -1.590950      5.129290
  H      -5.450364     -1.489743      5.556275
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036831125361
  N      -3.223140     -3.540425      1.925438
  C      -2.821107     -4.449884      0.852558
  C      -2.600552     -5.833755      1.424906
  N      -3.639293     -6.121665      2.448430
  C      -4.948965     -6.464881      1.833838
  C      -6.066374     -6.198909      2.828734
  N      -5.837160     -4.917793      3.505870
  Mo     -4.013007     -4.204467      3.599617
  N      -2.916384     -5.231571      4.872911
  C      -2.237040     -6.447229      4.409891
  C      -3.157966     -7.143728      3.416868
  H      -1.997940     -7.121955      5.241655
  H      -1.274154     -6.186803      3.942105
  H      -4.031014     -7.545125      3.948047
  H      -2.655580     -7.970907      2.887532
  H      -7.025237     -6.190737      2.285053
  H      -6.132831     -7.016589      3.569521
  H      -5.074656     -5.810646      0.960683
  H      -4.951576     -7.511624      1.486353
  H      -1.883388     -4.103695      0.390611
  H      -3.585815     -4.456831      0.055009
  H      -1.624949     -5.857379      1.926999
  H      -2.607517     -6.610160      0.642162
  C      -3.267279     -1.747950      0.147718
  C      -3.097951     -2.095709      1.625802
  C      -1.765542     -1.548676      2.227959
  C      -0.551183     -2.360541      1.875814
  C      -0.185682     -3.450170      2.678647
  C       0.880268     -4.278546      2.330877
  C       1.635778     -4.031132      1.177600
  C       2.830339     -4.891186      0.831247
  C       4.133484     -4.293792      1.327952
  C       5.078447     -3.787427      0.428234
  C       6.272359     -3.223396      0.886171
  C       6.536497     -3.159350      2.254886
  C       5.599550     -3.662173      3.162540
  C       4.408848     -4.222671      2.701147
  C       1.290091     -2.925696      0.387404
  C       0.212650     -2.106999      0.726805
  C      -7.796825     -5.278692      5.017201
  C      -7.032342     -4.307449      4.118103
  C      -7.934099     -3.654543      3.039529
  C      -8.926449     -2.696142      3.641456
  C     -10.254171     -3.068772      3.894726
  C     -11.144526     -2.184015      4.499701
  C     -10.740686     -0.893558      4.870655
  C     -11.713005      0.051135      5.542722
  C     -12.123448     -0.422406      6.922311
  C     -13.437974     -0.826680      7.182919
  C     -13.809670     -1.280443      8.451617
  C     -12.866961     -1.334505      9.479033
  C     -11.551173     -0.931759      9.230145
  C     -11.184165     -0.482253      7.962171
  C      -9.416823     -0.518021      4.613939
  C      -8.524189     -1.405165      4.009388
  C      -3.743900     -6.289094      6.987328
  C      -3.117919     -5.062558      6.322132
  C      -1.825754     -4.545624      7.028385
  C      -0.619068     -5.440403      6.951322
  C      -0.483340     -6.566902      7.779404
  C       0.620312     -7.410033      7.667890
  C       1.632186     -7.157688      6.729781
  C       2.845678     -8.056864      6.645797
  C       3.818815     -7.813004      7.782898
  C       3.983790     -8.757536      8.802562
  C       4.865165     -8.520609      9.860968
  C       5.594982     -7.332279      9.911083
  C       5.438701     -6.382846      8.896772
  C       4.556521     -6.622134      7.843521
  C       1.511713     -6.020569      5.922485
  C       0.407693     -5.174717      6.035464
  H      -4.212964     -2.141315     -0.250626
  H      -2.442984     -2.124327     -0.472456
  H      -3.288714     -0.654760      0.043926
  H      -3.904438     -1.586845      2.174235
  H      -1.653744     -0.507250      1.889325
  H      -1.884911     -1.528608      3.321357
  H      -0.759285     -3.651977      3.586061
  H       1.136945     -5.126922      2.970122
  H       2.889616     -5.022154     -0.259268
  H       2.694981     -5.891672      1.271802
  H       4.878627     -3.839815     -0.644687
  H       6.998535     -2.835347      0.169795
  H       7.468864     -2.721788      2.614778
  H       5.800053     -3.619250      4.234686
  H       3.678809     -4.606469      3.418107
  H       1.878125     -2.701192     -0.505614
  H      -0.036539     -1.253687      0.091826
  H      -7.126756     -5.726423      5.765148
  H      -8.593551     -4.740814      5.547830
  H      -8.269468     -6.087058      4.441354
  H      -6.665550     -3.489295      4.753065
  H      -7.271642     -3.116719      2.343218
  H      -8.457293     -4.434326      2.464358
  H     -10.595818     -4.066672      3.609004
  H     -12.172670     -2.499767      4.691407
  H     -11.255090      1.050080      5.611494
  H     -12.614926      0.154641      4.919869
  H     -14.180431     -0.780354      6.382557
  H     -14.840027     -1.589076      8.636932
  H     -13.155175     -1.685168     10.471256
  H     -10.809738     -0.965366     10.030634
  H     -10.153764     -0.172052      7.771953
  H      -9.083550      0.487881      4.880479
  H      -7.499754     -1.080872      3.802855
  H      -4.675014     -6.564244      6.471443
  H      -3.076849     -7.160460      6.995519
  H      -3.987583     -6.052869      8.032305
  H      -3.837909     -4.236261      6.428509
  H      -1.585394     -3.565507      6.591359
  H      -2.103857     -4.374543      8.081019
  H      -1.244660     -6.778050      8.533259
  H       0.709775     -8.273353      8.331443
  H       3.353730     -7.891673      5.683048
  H       2.526853     -9.109849      6.668277
  H       3.418867     -9.692042      8.763985
  H       4.983615     -9.269536     10.645997
  H       6.285680     -7.146324     10.734950
  H       6.009245     -5.452873      8.926630
  H       4.437761     -5.873468      7.056282
  H       2.299559     -5.788754      5.201100
  H       0.345290     -4.284296      5.406666
  N      -4.328009     -2.637588      4.507346
  N      -4.485682     -1.558481      5.068939
  H      -5.411736     -1.463179      5.535188
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.036904023336
  N      -3.225266     -3.550937      1.910978
  C      -2.819659     -4.463859      0.842752
  C      -2.601738     -5.845751      1.421286
  N      -3.642483     -6.128338      2.444605
  C      -4.952225     -6.472555      1.830115
  C      -6.069710     -6.205219      2.824988
  N      -5.838020     -4.924818      3.502314
  Mo     -4.014954     -4.210328      3.587301
  N      -2.918178     -5.231434      4.865471
  C      -2.240105     -6.449335      4.406624
  C      -3.163543     -7.147732      3.417495
  H      -2.000237     -7.121217      5.240524
  H      -1.277127     -6.191578      3.937383
  H      -4.037049     -7.543223      3.952376
  H      -2.665385     -7.979669      2.891583
  H      -7.029064     -6.195678      2.282357
  H      -6.136917     -7.023599      3.565034
  H      -5.077869     -5.819888      0.955718
  H      -4.954258     -7.519772      1.484069
  H      -1.880395     -4.119123      0.382654
  H      -3.580766     -4.474619      0.041791
  H      -1.626829     -5.869732      1.924591
  H      -2.609471     -6.625189      0.641589
  C      -3.265435     -1.764480      0.126110
  C      -3.104794     -2.106706      1.606200
  C      -1.777908     -1.552345      2.214691
  C      -0.558396     -2.357666      1.864651
  C      -0.188681     -3.445907      2.668420
  C       0.880862     -4.269910      2.321655
  C       1.637304     -4.018845      1.169331
  C       2.836387     -4.874012      0.824762
  C       4.131118     -4.296137      1.364905
  C       5.084541     -3.743833      0.501531
  C       6.269675     -3.195758      0.999989
  C       6.517055     -3.194290      2.373482
  C       5.572113     -3.744052      3.244987
  C       4.390201     -4.288242      2.743097
  C       1.287731     -2.914925      0.379023
  C       0.205785     -2.100953      0.716750
  C      -7.788887     -5.281336      5.026147
  C      -7.030922     -4.313089      4.118225
  C      -7.941343     -3.667580      3.043072
  C      -8.928959     -2.705333      3.647035
  C     -10.257781     -3.073090      3.901643
  C     -11.144214     -2.184826      4.507647
  C     -10.735268     -0.895550      4.877575
  C     -11.703860      0.052710      5.550189
  C     -12.111287     -0.415487      6.932378
  C     -13.423377     -0.827510      7.194407
  C     -13.792890     -1.276980      8.465296
  C     -12.850505     -1.318797      9.493787
  C     -11.537353     -0.908301      9.243527
  C     -11.172471     -0.463141      7.973215
  C      -9.410282     -0.524823      4.619221
  C      -8.521526     -1.415679      4.014396
  C      -3.754811     -6.281011      6.979721
  C      -3.123229     -5.057956      6.313662
  C      -1.830073     -4.544596      7.021323
  C      -0.624741     -5.440729      6.943393
  C      -0.489703     -6.571024      7.766607
  C       0.613707     -7.414265      7.651541
  C       1.626074     -7.158476      6.714780
  C       2.840189     -8.056679      6.626855
  C       3.823603     -7.800099      7.752211
  C       3.976688     -8.720236      8.796017
  C       4.865703     -8.470347      9.845033
  C       5.615338     -7.293268      9.861580
  C       5.471303     -6.368496      8.822958
  C       4.581552     -6.620786      7.778901
  C       1.505969     -6.017946      5.912267
  C       0.402469     -5.171965      6.028657
  H      -4.205432     -2.165413     -0.278271
  H      -2.433595     -2.136591     -0.486665
  H      -3.294009     -0.671738      0.019082
  H      -3.917294     -1.599083      2.146931
  H      -1.671145     -0.509180      1.879825
  H      -1.901355     -1.535223      3.307706
  H      -0.761222     -3.648318      3.576369
  H       1.139822     -5.117297      2.961189
  H       2.917688     -4.975353     -0.267423
  H       2.688185     -5.885688      1.234737
  H       4.897965     -3.746878     -0.575093
  H       7.002354     -2.771313      0.311348
  H       7.442837     -2.769797      2.764808
  H       5.759714     -3.751272      4.320410
  H       3.654722     -4.709994      3.432443
  H       1.876043     -2.687946     -0.513249
  H      -0.046431     -1.248594      0.081625
  H      -7.114663     -5.724675      5.773006
  H      -8.583825     -4.742061      5.558296
  H      -8.264251     -6.092949      4.456888
  H      -6.660802     -3.492153      4.747628
  H      -7.285709     -3.134940      2.336190
  H      -8.470876     -4.451046      2.478766
  H     -10.603023     -4.070233      3.617386
  H     -12.173325     -2.496537      4.701016
  H     -11.244670      1.051437      5.613680
  H     -12.607318      0.155361      4.929272
  H     -14.165664     -0.790610      6.393334
  H     -14.821330     -1.591543      8.651598
  H     -13.136955     -1.665919     10.487821
  H     -10.796181     -0.932332     10.044672
  H     -10.144047     -0.146420      7.782458
  H      -9.072757      0.479746      4.885629
  H      -7.496045     -1.095317      3.806431
  H      -4.683898     -6.556158      6.460055
  H      -3.089592     -7.153801      6.992892
  H      -4.002950     -6.041831      8.023023
  H      -3.839562     -4.228161      6.416221
  H      -1.587674     -3.565209      6.583638
  H      -2.108079     -4.371471      8.073716
  H      -1.250691     -6.785106      8.520022
  H       0.702164     -8.281033      8.310800
  H       3.338636     -7.899590      5.657757
  H       2.523153     -9.109850      6.662267
  H       3.396617     -9.646208      8.783732
  H       4.974842     -9.200427     10.649009
  H       6.312226     -7.097300     10.677946
  H       6.057653     -5.447854      8.826174
  H       4.472775     -5.891322      6.972300
  H       2.293777     -5.783880      5.191788
  H       0.339026     -4.280063      5.401930
  N      -4.325444     -2.638035      4.486647
  N      -4.476076     -1.549689      5.032413
  H      -5.396183     -1.451185      5.510419
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.037017025288
  N      -3.231684     -3.562155      1.882156
  C      -2.820463     -4.477391      0.819035
  C      -2.603872     -5.856092      1.405549
  N      -3.647136     -6.133896      2.427624
  C      -4.956517     -6.479320      1.812265
  C      -6.074680     -6.213293      2.806956
  N      -5.841821     -4.934470      3.485968
  Mo     -4.021540     -4.216829      3.559687
  N      -2.923641     -5.228828      4.844109
  C      -2.245615     -6.448797      4.390980
  C      -3.170963     -7.149859      3.405567
  H      -2.006922     -7.117681      5.227716
  H      -1.281550     -6.193936      3.922405
  H      -4.044937     -7.537634      3.945408
  H      -2.678500     -7.988035      2.884180
  H      -7.034158     -6.202437      2.264658
  H      -6.142532     -7.033703      3.544791
  H      -5.082394     -5.826641      0.937777
  H      -4.957172     -7.526308      1.465530
  H      -1.878810     -4.133897      0.362366
  H      -3.575655     -4.492894      0.012583
  H      -1.630557     -5.877969      1.911887
  H      -2.609255     -6.639335      0.629630
  C      -3.265706     -1.781852      0.091287
  C      -3.116992     -2.117829      1.573505
  C      -1.797147     -1.556752      2.191848
  C      -0.571890     -2.355355      1.845359
  C      -0.202128     -3.445527      2.647924
  C       0.871270     -4.265098      2.304120
  C       1.633489     -4.007984      1.156024
  C       2.837665     -4.858722      0.814627
  C       4.113366     -4.333410      1.446249
  C       5.080393     -3.680310      0.672555
  C       6.245284     -3.176433      1.257956
  C       6.459563     -3.321538      2.629687
  C       5.501988     -3.974561      3.411634
  C       4.340221     -4.473563      2.822976
  C       1.283991     -2.902852      0.367850
  C       0.197042     -2.093010      0.702425
  C      -7.775543     -5.288985      5.030809
  C      -7.032011     -4.323276      4.108218
  C      -7.959230     -3.692989      3.039457
  C      -8.937501     -2.723741      3.648430
  C     -10.265562     -3.085524      3.915519
  C     -11.142829     -2.192161      4.527915
  C     -10.725438     -0.903265      4.890077
  C     -11.683382      0.050207      5.571129
  C     -12.073443     -0.410574      6.960465
  C     -13.377313     -0.840631      7.236005
  C     -13.730439     -1.284726      8.513505
  C     -12.779791     -1.302901      9.535434
  C     -11.474966     -0.874503      9.271635
  C     -11.126359     -0.434805      7.994550
  C      -9.401575     -0.537912      4.617602
  C      -8.521661     -1.434452      4.008200
  C      -3.772818     -6.276276      6.953636
  C      -3.138020     -5.053244      6.291050
  C      -1.848227     -4.539298      7.004177
  C      -0.638862     -5.429298      6.922001
  C      -0.500351     -6.570030      7.730195
  C       0.607838     -7.406328      7.606959
  C       1.622753     -7.132214      6.677967
  C       2.844209     -8.019913      6.581174
  C       3.838561     -7.742962      7.691917
  C       3.969106     -8.622309      8.773672
  C       4.864284     -8.351112      9.812064
  C       5.643030     -7.193026      9.780233
  C       5.522176     -6.309489      8.703444
  C       4.626293     -6.583236      7.669609
  C       1.498880     -5.981384      5.890915
  C       0.390314     -5.143326      6.014068
  H      -4.198583     -2.191346     -0.321286
  H      -2.424325     -2.148918     -0.511754
  H      -3.302508     -0.689593     -0.019003
  H      -3.936942     -1.612252      2.104859
  H      -1.694941     -0.510976      1.863807
  H      -1.926946     -1.545325      3.284236
  H      -0.777288     -3.651211      3.553447
  H       1.128282     -5.113340      2.943505
  H       2.965992     -4.894607     -0.277019
  H       2.659982     -5.890979      1.155664
  H       4.920132     -3.568386     -0.402594
  H       6.988834     -2.672212      0.638034
  H       7.370139     -2.932481      3.088084
  H       5.664162     -4.098791      4.484285
  H       3.596328     -4.979305      3.443041
  H       1.875634     -2.671623     -0.521264
  H      -0.054676     -1.239329      0.068678
  H      -7.093624     -5.719766      5.778098
  H      -8.571802     -4.750764      5.562547
  H      -8.248953     -6.109702      4.472629
  H      -6.658629     -3.496738      4.728280
  H      -7.317957     -3.170006      2.312280
  H      -8.500157     -4.484238      2.497127
  H     -10.616567     -4.082819      3.638475
  H     -12.171330     -2.499088      4.732580
  H     -11.221287      1.048285      5.623674
  H     -12.594139      0.152278      4.960647
  H     -14.126191     -0.821882      6.440298
  H     -14.752728     -1.613018      8.710371
  H     -13.053502     -1.645293     10.534812
  H     -10.727349     -0.880027     10.067279
  H     -10.104064     -0.103930      7.793807
  H      -9.057679      0.466052      4.878556
  H      -7.496584     -1.119082      3.789955
  H      -4.696633     -6.554763      6.426106
  H      -3.106029     -7.148051      6.972382
  H      -4.030635     -6.037297      7.994707
  H      -3.854023     -4.222756      6.389070
  H      -1.609072     -3.557645      6.569464
  H      -2.128033     -4.369429      8.056648
  H      -1.262522     -6.799499      8.478097
  H       0.697079     -8.283015      8.253042
  H       3.328844     -7.865564      5.604705
  H       2.537590     -9.075639      6.629460
  H       3.366934     -9.533947      8.799518
  H       4.955920     -9.049773     10.645748
  H       6.345106     -6.980524     10.588116
  H       6.131877     -5.404658      8.668061
  H       4.535956     -5.885742      6.832642
  H       2.287888     -5.733524      5.176725
  H       0.322747     -4.245016      5.396705
  N      -4.327497     -2.637731      4.448210
  N      -4.464870     -1.535854      4.970335
  H      -5.379964     -1.425672      5.456284
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.037207965202
  N      -3.231104     -3.567847      1.885981
  C      -2.814069     -4.477232      0.821242
  C      -2.598122     -5.856328      1.406528
  N      -3.646386     -6.138219      2.421760
  C      -4.953285     -6.479668      1.798635
  C      -6.075875     -6.220354      2.789799
  N      -5.846296     -4.945450      3.476155
  Mo     -4.027851     -4.228432      3.556261
  N      -2.934836     -5.242147      4.842866
  C      -2.254240     -6.460708      4.390317
  C      -3.175941     -7.157665      3.398358
  H      -2.022891     -7.133073      5.226260
  H      -1.286421     -6.205450      3.929960
  H      -4.052418     -7.543266      3.935843
  H      -2.685387     -7.997014      2.877110
  H      -7.032542     -6.206669      2.242511
  H      -6.147460     -7.045342      3.522138
  H      -5.075506     -5.820662      0.928300
  H      -4.952852     -7.524047      1.444119
  H      -1.869429     -4.132535      0.371119
  H      -3.562959     -4.490811      0.009013
  H      -1.628328     -5.876280      1.919595
  H      -2.595491     -6.638020      0.628971
  C      -3.273970     -1.780166      0.103991
  C      -3.122270     -2.120902      1.584440
  C      -1.802867     -1.559093      2.202875
  C      -0.575376     -2.349736      1.844287
  C      -0.191740     -3.441731      2.639057
  C       0.884796     -4.252002      2.283919
  C       1.635234     -3.986624      1.128958
  C       2.840961     -4.829617      0.769682
  C       4.106487     -4.350633      1.456459
  C       5.053516     -3.587172      0.763028
  C       6.205432     -3.121516      1.403160
  C       6.428173     -3.417456      2.749394
  C       5.492370     -4.184081      3.450270
  C       4.342719     -4.642970      2.807293
  C       1.270898     -2.881310      0.348487
  C       0.182448     -2.078217      0.696718
  C      -7.775396     -5.300755      5.024520
  C      -7.037948     -4.335343      4.096585
  C      -7.971943     -3.715823      3.028033
  C      -8.942287     -2.738028      3.637160
  C     -10.269670     -3.093421      3.916323
  C     -11.138318     -2.194107      4.532622
  C     -10.712933     -0.905123      4.884963
  C     -11.659544      0.055374      5.572743
  C     -12.038008     -0.401074      6.966340
  C     -13.335390     -0.844541      7.251804
  C     -13.675855     -1.285904      8.533766
  C     -12.718974     -1.287761      9.550302
  C     -11.420617     -0.845990      9.276511
  C     -11.084585     -0.409106      7.994896
  C      -9.390355     -0.545331      4.598243
  C      -8.518708     -1.448338      3.986509
  C      -3.796214     -6.295666      6.945116
  C      -3.159601     -5.069823      6.289600
  C      -1.875812     -4.553540      7.009921
  C      -0.661863     -5.437049      6.926169
  C      -0.518673     -6.583265      7.725619
  C       0.594801     -7.412503      7.598924
  C       1.611131     -7.124989      6.675432
  C       2.840736     -8.001209      6.573720
  C       3.843073     -7.700837      7.670979
  C       3.954889     -8.537417      8.788467
  C       4.853912     -8.241657      9.816637
  C       5.655507     -7.101119      9.739101
  C       5.554024     -6.260756      8.626353
  C       4.654281     -6.559235      7.602387
  C       1.481739     -5.968946      5.897075
  C       0.367841     -5.138876      6.022552
  H      -4.205615     -2.192021     -0.309268
  H      -2.431263     -2.141366     -0.500937
  H      -3.316019     -0.687524     -0.001520
  H      -3.943467     -1.620829      2.118899
  H      -1.706595     -0.509938      1.884006
  H      -1.928321     -1.557729      3.295850
  H      -0.757026     -3.655343      3.548922
  H       1.151741     -5.099693      2.920185
  H       2.991824     -4.805067     -0.319282
  H       2.649430     -5.877459      1.049604
  H       4.887046     -3.356735     -0.292202
  H       6.933382     -2.529735      0.845081
  H       7.329553     -3.059078      3.249263
  H       5.662234     -4.429112      4.500990
  H       3.619305     -5.244491      3.362135
  H       1.851831     -2.643658     -0.546059
  H      -0.079406     -1.223410      0.068424
  H      -7.092942     -5.718710      5.778548
  H      -8.579435     -4.765698      5.548050
  H      -8.238456     -6.130537      4.470808
  H      -6.666226     -3.505193      4.712743
  H      -7.338465     -3.202647      2.287198
  H      -8.521447     -4.512473      2.502443
  H     -10.626202     -4.091019      3.647230
  H     -12.166187     -2.496126      4.748014
  H     -11.190016      1.050265      5.619999
  H     -12.574694      0.163174      4.969740
  H     -14.089261     -0.838128      6.460514
  H     -14.693347     -1.624366      8.738581
  H     -12.983040     -1.627436     10.553290
  H     -10.668143     -0.838544     10.067672
  H     -10.067010     -0.067929      7.786516
  H      -9.041155      0.458900      4.851352
  H      -7.494115     -1.138231      3.758129
  H      -4.714945     -6.576340      6.409752
  H      -3.127516     -7.166112      6.966545
  H      -4.063252     -6.060193      7.984689
  H      -3.877914     -4.240978      6.385330
  H      -1.639944     -3.569819      6.577842
  H      -2.158909     -4.387274      8.062042
  H      -1.281583     -6.824374      8.469300
  H       0.685749     -8.294849      8.237126
  H       3.313439     -7.850015      5.591001
  H       2.545916     -9.059572      6.635358
  H       3.335416     -9.435746      8.850556
  H       4.931034     -8.907338     10.678405
  H       6.360841     -6.869448     10.538937
  H       6.182138     -5.370665      8.554504
  H       4.579108     -5.895365      6.736760
  H       2.271880     -5.709782      5.188759
  H       0.296080     -4.237764      5.409518
  N      -4.334076     -2.650266      4.446359
  N      -4.458217     -1.542794      4.960326
  H      -5.376553     -1.417206      5.436776
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.037368894531
  N      -3.230265     -3.574314      1.898366
  C      -2.806064     -4.476071      0.831224
  C      -2.589850     -5.855817      1.414215
  N      -3.643969     -6.143903      2.420960
  C      -4.947540     -6.480946      1.788257
  C      -6.075611     -6.229852      2.774891
  N      -5.850848     -4.959196      3.469505
  Mo     -4.034433     -4.242941      3.559746
  N      -2.946575     -5.259608      4.847753
  C      -2.263152     -6.476480      4.395555
  C      -3.179955     -7.168023      3.395106
  H      -2.041126     -7.153392      5.230278
  H      -1.290724     -6.220897      3.945420
  H      -4.059366     -7.552238      3.928958
  H      -2.690820     -8.007820      2.873309
  H      -7.028815     -6.213493      2.221535
  H      -6.151221     -7.059945      3.500995
  H      -5.065462     -5.814520      0.922912
  H      -4.945344     -7.522183      1.424626
  H      -1.858375     -4.129159      0.388617
  H      -3.547961     -4.487384      0.012704
  H      -1.624323     -5.873070      1.935343
  H      -2.576995     -6.635138      0.634312
  C      -3.287948     -1.777846      0.127330
  C      -3.129906     -2.124266      1.605381
  C      -1.810591     -1.560592      2.221930
  C      -0.580729     -2.341587      1.848504
  C      -0.179036     -3.434153      2.634802
  C       0.901434     -4.232782      2.266077
  C       1.636057     -3.958645      1.101983
  C       2.843675     -4.791583      0.721589
  C       4.100789     -4.355227      1.451143
  C       5.018594     -3.489841      0.843233
  C       6.158678     -3.059792      1.527896
  C       6.400444     -3.495360      2.832624
  C       5.495919     -4.366913      3.446425
  C       4.356963     -4.788159      2.759758
  C       1.252353     -2.854737      0.329578
  C       0.162228     -2.060188      0.694261
  C      -7.779007     -5.314848      5.016487
  C      -7.045258     -4.349822      4.085051
  C      -7.983397     -3.740923      3.014584
  C      -8.945166     -2.752701      3.621706
  C     -10.272101     -3.100091      3.913244
  C     -11.131166     -2.193444      4.532555
  C     -10.696639     -0.904507      4.873608
  C     -11.630572      0.064676      5.567380
  C     -12.000601     -0.387962      6.964068
  C     -13.292772     -0.841784      7.257445
  C     -13.623191     -1.280844      8.542922
  C     -12.661450     -1.269899      9.555093
  C     -11.368274     -0.817847      9.273304
  C     -11.042215     -0.383348      7.988105
  C      -9.375272     -0.551747      4.571953
  C      -8.512771     -1.462666      3.958970
  C      -3.817910     -6.317435      6.944527
  C      -3.179536     -5.089547      6.294609
  C      -1.900657     -4.571148      7.019851
  C      -0.683263     -5.449768      6.935354
  C      -0.535898     -6.599703      7.728548
  C       0.581857     -7.423304      7.599536
  C       1.599067     -7.125692      6.680078
  C       2.835808     -7.991743      6.574440
  C       3.845066     -7.669066      7.658778
  C       3.938047     -8.461671      8.809842
  C       4.840080     -8.142000      9.828024
  C       5.663783     -7.020796      9.707180
  C       5.581758     -6.224835      8.560678
  C       4.678977     -6.547435      7.546367
  C       1.464548     -5.966317      5.907726
  C       0.346355     -5.142781      6.034422
  H      -4.218558     -2.193088     -0.285145
  H      -2.444575     -2.131549     -0.481310
  H      -3.337009     -0.684843      0.027610
  H      -3.952083     -1.631494      2.144926
  H      -1.721916     -0.507921      1.912654
  H      -1.929608     -1.569995      3.315610
  H      -0.731287     -3.656501      3.550529
  H       1.181925     -5.078695      2.899167
  H       3.010727     -4.711018     -0.362194
  H       2.643714     -5.851119      0.945061
  H       4.837656     -3.149712     -0.179544
  H       6.863775     -2.387047      1.035967
  H       7.293610     -3.165329      3.365802
  H       5.681913     -4.723571      4.462171
  H       3.661961     -5.477921      3.242995
  H       1.819385     -2.610112     -0.572063
  H      -0.113035     -1.205196      0.071757
  H      -7.098378     -5.718909      5.779643
  H      -8.592905     -4.783407      5.528740
  H      -8.229024     -6.154227      4.466224
  H      -6.676625     -3.516193      4.698293
  H      -7.356238     -3.239240      2.260674
  H      -8.541738     -4.542529      2.506063
  H     -10.634986     -4.097884      3.653190
  H     -12.158526     -2.489337      4.759136
  H     -11.151011      1.054959      5.611179
  H     -12.548685      0.181458      4.970450
  H     -14.050550     -0.844969      6.469752
  H     -14.636857     -1.627052      8.754143
  H     -12.917942     -1.607161     10.560955
  H     -10.611980     -0.800189     10.060787
  H     -10.028325     -0.034408      7.773606
  H      -9.020052      0.452705      4.816026
  H      -7.488503     -1.159107      3.720008
  H      -4.732661     -6.599614      6.402997
  H      -3.148145     -7.187226      6.967715
  H      -4.092242     -6.084993      7.982913
  H      -3.899531     -4.261895      6.388703
  H      -1.667319     -3.586630      6.587932
  H      -2.185802     -4.405850      8.071509
  H      -1.299171     -6.850060      8.469027
  H       0.674069     -8.309858      8.231816
  H       3.297561     -7.844168      5.586051
  H       2.551840     -9.052231      6.648903
  H       3.301849     -9.345295      8.906359
  H       4.902599     -8.773771     10.716204
  H       6.371718     -6.770441     10.499159
  H       6.227695     -5.350960      8.454286
  H       4.618926     -5.918157      6.653822
  H       2.255426     -5.698371      5.204148
  H       0.270888     -4.240360      5.423491
  N      -4.342810     -2.667229      4.453457
  N      -4.454444     -1.556023      4.962681
  H      -5.379523     -1.413601      5.421470
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.037681743513
  N      -3.258593     -3.550183      1.843014
  C      -2.859517     -4.440662      0.754587
  C      -2.645338     -5.833972      1.304333
  N      -3.683056     -6.131519      2.324609
  C      -4.997501     -6.454202      1.707069
  C      -6.111531     -6.209209      2.712222
  N      -5.873979     -4.947135      3.420693
  Mo     -4.049633     -4.242042      3.504335
  N      -2.950897     -5.285696      4.760216
  C      -2.272924     -6.492500      4.275820
  C      -3.203285     -7.169555      3.276471
  H      -2.035609     -7.183071      5.095651
  H      -1.309153     -6.226166      3.813157
  H      -4.075727     -7.568498      3.810639
  H      -2.714190     -7.995924      2.733658
  H      -7.071739     -6.182689      2.171658
  H      -6.180199     -7.046414      3.430873
  H      -5.123907     -5.776817      0.851847
  H      -5.005041     -7.491335      1.331657
  H      -1.919442     -4.091454      0.299486
  H      -3.621483     -4.430478     -0.045709
  H      -1.670946     -5.868556      1.805590
  H      -2.655073     -6.599654      0.511061
  C      -3.285188     -1.731427      0.092870
  C      -3.128002     -2.101449      1.567287
  C      -1.798611     -1.578303      2.194065
  C      -0.583597     -2.381256      1.826643
  C      -0.228934     -3.495675      2.601598
  C       0.838164     -4.317671      2.245396
  C       1.605809     -4.042386      1.103924
  C       2.800879     -4.893091      0.723370
  C       4.056095     -4.504361      1.478263
  C       4.959460     -3.581082      0.936462
  C       6.098074     -3.192295      1.646160
  C       6.353470     -3.728890      2.909770
  C       5.465768     -4.661031      3.454433
  C       4.330917     -5.047233      2.740821
  C       1.267987     -2.914984      0.342490
  C       0.190921     -2.099132      0.693500
  C      -7.787707     -5.326984      4.984261
  C      -7.059666     -4.347825      4.062903
  C      -8.003962     -3.707812      3.013706
  C      -8.954787     -2.725747      3.645327
  C     -10.281716     -3.068336      3.941058
  C     -11.130547     -2.166046      4.579634
  C     -10.684779     -0.886725      4.940603
  C     -11.608343      0.076269      5.655252
  C     -11.966884     -0.394393      7.050157
  C     -13.258787     -0.842733      7.349833
  C     -13.579227     -1.298628      8.631705
  C     -12.607700     -1.309981      9.633533
  C     -11.314416     -0.862813      9.345727
  C     -10.998354     -0.411485      8.064502
  C      -9.362577     -0.539537      4.637617
  C      -8.510968     -1.445032      4.001896
  C      -3.777942     -6.418692      6.830567
  C      -3.180641     -5.157465      6.207494
  C      -1.921165     -4.612683      6.951106
  C      -0.664880     -5.435516      6.856710
  C      -0.490592     -6.607876      7.610168
  C       0.671155     -7.370046      7.494794
  C       1.713832     -6.975610      6.644199
  C       2.998641     -7.772270      6.570719
  C       3.919511     -7.471759      7.737682
  C       3.978781     -8.334920      8.838729
  C       4.795864     -8.043312      9.933698
  C       5.566039     -6.879295      9.941444
  C       5.516186     -6.011325      8.846738
  C       4.699074     -6.306597      7.754939
  C       1.554231     -5.790646      5.915355
  C       0.382780     -5.040616      6.011248
  H      -4.227694     -2.119100     -0.318650
  H      -2.455753     -2.098825     -0.525896
  H      -3.306516     -0.636779      0.004123
  H      -3.934626     -1.596719      2.117655
  H      -1.682303     -0.525351      1.894461
  H      -1.926355     -1.596946      3.286746
  H      -0.813045     -3.722996      3.496645
  H       1.082007     -5.176785      2.875699
  H       2.982151     -4.784425     -0.355810
  H       2.580056     -5.955050      0.912518
  H       4.766378     -3.158683     -0.052712
  H       6.790736     -2.471745      1.207697
  H       7.246111     -3.432615      3.462709
  H       5.670064     -5.105062      4.429643
  H       3.659127     -5.802028      3.157617
  H       1.860933     -2.670699     -0.542144
  H      -0.046335     -1.227014      0.079762
  H      -7.097078     -5.753235      5.725972
  H      -8.588397     -4.802116      5.522192
  H      -8.251560     -6.150598      4.422787
  H      -6.680511     -3.526323      4.685419
  H      -7.372802     -3.192955      2.272407
  H      -8.567392     -4.492663      2.485783
  H     -10.654677     -4.058022      3.666052
  H     -12.157968     -2.459895      4.806513
  H     -11.125816      1.064353      5.707465
  H     -12.532924      0.201385      5.070731
  H     -14.024413     -0.828438      6.570352
  H     -14.592726     -1.641198      8.847949
  H     -12.856491     -1.661326     10.636155
  H     -10.550826     -0.862397     10.125845
  H      -9.985487     -0.065604      7.843970
  H      -8.997648      0.457248      4.896805
  H      -7.486210     -1.144398      3.763340
  H      -4.683943     -6.717705      6.284109
  H      -3.079452     -7.265322      6.838454
  H      -4.057622     -6.213958      7.873157
  H      -3.929115     -4.357486      6.319133
  H      -1.723176     -3.603709      6.560722
  H      -2.221379     -4.498812      8.005598
  H      -1.268365     -6.921848      8.309266
  H       0.783862     -8.275310      8.095879
  H       3.512943     -7.547520      5.623484
  H       2.764224     -8.847167      6.568841
  H       3.382819     -9.250730      8.835075
  H       4.833652     -8.730110     10.781107
  H       6.207351     -6.650372     10.793901
  H       6.120400     -5.102342      8.841953
  H       4.663242     -5.621297      6.905001
  H       2.364752     -5.440247      5.272503
  H       0.290157     -4.118361      5.433420
  N      -4.337836     -2.680481      4.431874
  N      -4.437024     -1.582676      4.969625
  H      -5.348852     -1.439492      5.452845
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.037946371226
  N      -3.266447     -3.556471      1.839878
  C      -2.864566     -4.439893      0.747257
  C      -2.649929     -5.835044      1.291570
  N      -3.689993     -6.138381      2.307103
  C      -5.003610     -6.455358      1.684497
  C      -6.119682     -6.218062      2.688966
  N      -5.884168     -4.960558      3.405765
  Mo     -4.060361     -4.257453      3.494808
  N      -2.962807     -5.305661      4.747209
  C      -2.283877     -6.510389      4.259251
  C      -3.213214     -7.181557      3.254495
  H      -2.051696     -7.205922      5.076297
  H      -1.317900     -6.243065      3.802074
  H      -4.086965     -7.580155      3.786899
  H      -2.726161     -8.007200      2.708863
  H      -7.078103     -6.188082      2.145293
  H      -6.190447     -7.060129      3.401632
  H      -5.127988     -5.770208      0.835164
  H      -5.011499     -7.489089      1.299860
  H      -1.922913     -4.089059      0.296406
  H      -3.623478     -4.425523     -0.055768
  H      -1.677857     -5.868675      1.797040
  H      -2.653732     -6.597583      0.495197
  C      -3.300625     -1.729095      0.099801
  C      -3.140247     -2.105483      1.572199
  C      -1.811926     -1.583186      2.200719
  C      -0.594642     -2.380145      1.826894
  C      -0.230578     -3.495366      2.596952
  C       0.843318     -4.307097      2.237930
  C       1.606542     -4.023447      1.094812
  C       2.807739     -4.862888      0.704684
  C       4.043584     -4.522526      1.512587
  C       4.913615     -3.507205      1.094792
  C       6.029338     -3.160664      1.860238
  C       6.296639     -3.833079      3.054859
  C       5.444713     -4.859063      3.472889
  C       4.332015     -5.201691      2.703884
  C       1.257251     -2.897261      0.337298
  C       0.175609     -2.089190      0.693673
  C      -7.792149     -5.342960      4.973980
  C      -7.070605     -4.363146      4.048063
  C      -8.021613     -3.730985      3.000285
  C      -8.961944     -2.739208      3.633167
  C     -10.287372     -3.073554      3.944810
  C     -11.124618     -2.164019      4.588518
  C     -10.668575     -0.885122      4.937598
  C     -11.577083      0.086298      5.660671
  C     -11.921540     -0.380390      7.060245
  C     -13.206887     -0.838462      7.373020
  C     -13.511984     -1.291862      8.659565
  C     -12.531564     -1.290833      9.652872
  C     -11.244683     -0.833869      9.351898
  C     -10.943893     -0.385094      8.066045
  C      -9.348542     -0.545361      4.616682
  C      -8.508193     -1.458487      3.976950
  C      -3.788381     -6.445314      6.814809
  C      -3.194559     -5.180856      6.195121
  C      -1.939393     -4.631504      6.941045
  C      -0.677267     -5.445411      6.845060
  C      -0.495337     -6.620038      7.592867
  C       0.673015     -7.372491      7.476983
  C       1.715672     -6.964183      6.633003
  C       3.009609     -7.746331      6.559107
  C       3.933472     -7.420733      7.716868
  C       3.970663     -8.242830      8.850038
  C       4.786821     -7.925459      9.938302
  C       5.578267     -6.775995      9.907452
  C       5.551082     -5.949322      8.780500
  C       4.734894     -6.270583      7.695120
  C       1.547801     -5.776820      5.909891
  C       0.369272     -5.038383      6.003829
  H      -4.242585     -2.117761     -0.312112
  H      -2.470895     -2.091383     -0.521604
  H      -3.325566     -0.634033      0.016395
  H      -3.947372     -1.606015      2.126252
  H      -1.698651     -0.527844      1.908427
  H      -1.938541     -1.609851      3.293383
  H      -0.810993     -3.731190      3.492212
  H       1.094666     -5.163553      2.869063
  H       3.017339     -4.695906     -0.361766
  H       2.578991     -5.932222      0.830912
  H       4.711306     -2.977859      0.160392
  H       6.696106     -2.367027      1.518444
  H       7.172530     -3.569878      3.649731
  H       5.661179     -5.410244      4.389079
  H       3.694499     -6.033862      3.012974
  H       1.845109     -2.646484     -0.548919
  H      -0.067875     -1.216447      0.083180
  H      -7.100297     -5.757428      5.721139
  H      -8.600012     -4.822072      5.505159
  H      -8.245465     -6.174812      4.415998
  H      -6.692556     -3.538625      4.667105
  H      -7.397285     -3.225953      2.246698
  H      -8.594241     -4.519486      2.488016
  H     -10.667826     -4.062993      3.679310
  H     -12.150717     -2.451883      4.828756
  H     -11.084962      1.069891      5.707018
  H     -12.506843      0.219163      5.086175
  H     -13.979597     -0.833418      6.600419
  H     -14.520662     -1.641838      8.886329
  H     -12.768681     -1.639768     10.659176
  H     -10.474216     -0.823544     10.125185
  H      -9.935863     -0.031765      7.835032
  H      -8.976635      0.451349      4.866116
  H      -7.484557     -1.164421      3.725624
  H      -4.691569     -6.747622      6.265516
  H      -3.086716     -7.289406      6.822964
  H      -4.071952     -6.243512      7.856899
  H      -3.946571     -4.384095      6.307569
  H      -1.746836     -3.620650      6.552664
  H      -2.240672     -4.521681      7.995621
  H      -1.272652     -6.944873      8.287574
  H       0.789940     -8.280936      8.072416
  H       3.514977     -7.524428      5.606473
  H       2.788200     -8.823867      6.570265
  H       3.358448     -9.147488      8.877127
  H       4.807543     -8.580647     10.810969
  H       6.219055     -6.526943     10.754650
  H       6.172463     -5.052638      8.745023
  H       4.716731     -5.617462      6.819611
  H       2.358228     -5.413630      5.274623
  H       0.271111     -4.115341      5.428095
  N      -4.346914     -2.699447      4.429399
  N      -4.431582     -1.599583      4.965344
  H      -5.345849     -1.438757      5.438610
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.038327747711
  N      -3.270913     -3.559802      1.858020
  C      -2.866935     -4.438150      0.762305
  C      -2.647348     -5.833529      1.302958
  N      -3.687095     -6.143620      2.316092
  C      -4.999237     -6.462150      1.691319
  C      -6.117647     -6.231552      2.694234
  N      -5.888943     -4.973956      3.412487
  Mo     -4.067276     -4.267957      3.507922
  N      -2.969341     -5.315897      4.759370
  C      -2.282690     -6.514764      4.268647
  C      -3.207562     -7.187456      3.260835
  H      -2.049419     -7.212186      5.083494
  H      -1.317437     -6.240647      3.814163
  H      -4.080301     -7.590444      3.791683
  H      -2.716996     -8.009956      2.713661
  H      -7.074396     -6.204260      2.147308
  H      -6.187313     -7.074687      3.405639
  H      -5.124400     -5.773648      0.844762
  H      -5.004311     -7.494290      1.302464
  H      -1.925698     -4.084290      0.312831
  H      -3.625374     -4.422558     -0.041037
  H      -1.676131     -5.862826      1.810764
  H      -2.645007     -6.594269      0.504862
  C      -3.316858     -1.728455      0.123886
  C      -3.148177     -2.107331      1.594524
  C      -1.817576     -1.584265      2.216582
  C      -0.600844     -2.381147      1.839871
  C      -0.227339     -3.489271      2.615906
  C       0.850406     -4.296861      2.259919
  C       1.605533     -4.019516      1.110019
  C       2.810532     -4.854382      0.720836
  C       4.025029     -4.554037      1.575299
  C       4.848414     -3.458353      1.285112
  C       5.938512     -3.146774      2.100328
  C       6.226978     -3.934007      3.217848
  C       5.422913     -5.039513      3.507180
  C       4.334609     -5.346301      2.688872
  C       1.245039     -2.902495      0.344371
  C       0.161982     -2.095496      0.700661
  C      -7.795260     -5.355365      4.981330
  C      -7.079125     -4.378136      4.048566
  C      -8.033739     -3.760887      2.995079
  C      -8.970945     -2.760644      3.619650
  C     -10.294646     -3.090745      3.943047
  C     -11.128152     -2.173040      4.580118
  C     -10.669939     -0.889909      4.909974
  C     -11.572347      0.091880      5.627143
  C     -11.906986     -0.358957      7.034130
  C     -13.185293     -0.828071      7.358873
  C     -13.478989     -1.267682      8.652900
  C     -12.494149     -1.241527      9.641553
  C     -11.214201     -0.773137      9.328576
  C     -10.924750     -0.338169      8.035382
  C      -9.351933     -0.554200      4.576334
  C      -8.515225     -1.475509      3.943737
  C      -3.791030     -6.465671      6.824637
  C      -3.204832     -5.195983      6.207763
  C      -1.954671     -4.640178      6.955601
  C      -0.682861     -5.437090      6.841822
  C      -0.486029     -6.626309      7.562151
  C       0.689008     -7.365083      7.423936
  C       1.723539     -6.927982      6.584411
  C       3.024427     -7.695687      6.481900
  C       3.961355     -7.373927      7.630029
  C       3.992711     -8.186248      8.770622
  C       4.819152     -7.871136      9.851560
  C       5.627271     -6.733633      9.806080
  C       5.606633     -5.917352      8.671527
  C       4.779810     -6.236342      7.593287
  C       1.541330     -5.725355      5.890642
  C       0.356841     -5.000156      6.007336
  H      -4.260606     -2.117618     -0.283515
  H      -2.490009     -2.088771     -0.502584
  H      -3.343579     -0.633200      0.042781
  H      -3.953142     -1.610275      2.153955
  H      -1.705641     -0.529561      1.921299
  H      -1.939619     -1.608798      3.309792
  H      -0.801287     -3.722092      3.516030
  H       1.110576     -5.143485      2.900753
  H       3.047976     -4.645679     -0.332443
  H       2.573565     -5.926294      0.799383
  H       4.628892     -2.837666      0.412804
  H       6.569795     -2.290095      1.857561
  H       7.083017     -3.696693      3.851334
  H       5.657021     -5.678030      4.360485
  H       3.737245     -6.238713      2.891713
  H       1.825595     -2.656891     -0.548121
  H      -0.088221     -1.228835      0.084112
  H      -7.103227     -5.754537      5.736633
  H      -8.611648     -4.837253      5.502267
  H      -8.235992     -6.197935      4.429272
  H      -6.706242     -3.546208      4.660841
  H      -7.413148     -3.265885      2.231914
  H      -8.608864     -4.556623      2.496951
  H     -10.676764     -4.083280      3.691693
  H     -12.152948     -2.457891      4.829601
  H     -11.076655      1.074190      5.660265
  H     -12.505339      0.221342      5.057124
  H     -13.961697     -0.842192      6.590021
  H     -14.482458     -1.626353      8.889235
  H     -12.722710     -1.579361     10.653663
  H     -10.440474     -0.742764     10.098148
  H      -9.922064      0.024225      7.794702
  H      -8.979316      0.446148      4.809892
  H      -7.493166     -1.184686      3.682251
  H      -4.690851     -6.774030      6.273166
  H      -3.083622     -7.304946      6.833743
  H      -4.078625     -6.266909      7.866207
  H      -3.963421     -4.405318      6.321852
  H      -1.775694     -3.622349      6.578900
  H      -2.252120     -4.547864      8.012950
  H      -1.258147     -6.975871      8.250731
  H       0.815361     -8.287486      7.995539
  H       3.513420     -7.455268      5.525270
  H       2.814460     -8.775607      6.482359
  H       3.368316     -9.082224      8.809248
  H       4.835357     -8.518818     10.729972
  H       6.276325     -6.486328     10.647549
  H       6.241334     -5.030539      8.624150
  H       4.767200     -5.591479      6.711379
  H       2.345186     -5.338760      5.260945
  H       0.248481     -4.065541      5.452635
  N      -4.357075     -2.712681      4.446094
  N      -4.431236     -1.611192      4.979850
  H      -5.344318     -1.438089      5.450990
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.038902117276
  N      -3.267686     -3.552602      1.901399
  C      -2.864327     -4.423777      0.799308
  C      -2.635702     -5.820605      1.331688
  N      -3.671758     -6.142338      2.344508
  C      -4.982461     -6.466236      1.720194
  C      -6.102511     -6.243809      2.722560
  N      -5.884303     -4.983681      3.439394
  Mo     -4.065422     -4.272004      3.545720
  N      -2.967081     -5.322562      4.793732
  C      -2.266813     -6.510201      4.295885
  C      -3.183943     -7.186864      3.283850
  H      -2.025870     -7.209741      5.106287
  H      -1.305519     -6.221836      3.841908
  H      -4.053456     -7.601732      3.810850
  H      -2.683921     -8.000966      2.732663
  H      -7.058191     -6.223474      2.173264
  H      -6.167385     -7.086338      3.434987
  H      -5.111342     -5.775847      0.875669
  H      -4.982959     -7.497355      1.328666
  H      -1.926086     -4.063867      0.348536
  H      -3.626285     -4.406136     -0.000524
  H      -1.663266     -5.845467      1.838484
  H      -2.628740     -6.577082      0.529609
  C      -3.335722     -1.711712      0.177882
  C      -3.148619     -2.098245      1.644147
  C      -1.810742     -1.575802      2.250509
  C      -0.599428     -2.376967      1.864318
  C      -0.215359     -3.478061      2.645098
  C       0.859674     -4.287003      2.284481
  C       1.598503     -4.020898      1.122382
  C       2.800363     -4.858496      0.732364
  C       3.994567     -4.600985      1.627952
  C       4.769903     -3.445247      1.465270
  C       5.839109     -3.175286      2.321072
  C       6.152819     -4.062161      3.354565
  C       5.395343     -5.224382      3.518045
  C       4.326227     -5.489381      2.659534
  C       1.227402     -2.911913      0.350091
  C       0.148918     -2.101162      0.713052
  C      -7.795233     -5.364378      5.001737
  C      -7.080983     -4.390399      4.064490
  C      -8.033491     -3.789246      2.999323
  C      -8.976348     -2.784472      3.607876
  C     -10.298688     -3.115839      3.935507
  C     -11.138183     -2.191318      4.554680
  C     -10.687248     -0.900123      4.861980
  C     -11.595205      0.091543      5.558532
  C     -11.927248     -0.333604      6.974071
  C     -13.199334     -0.813414      7.306965
  C     -13.488680     -1.229654      8.609716
  C     -12.505760     -1.168926      9.598744
  C     -11.231990     -0.689224      9.277592
  C     -10.946820     -0.277684      7.975873
  C      -9.370255     -0.563775      4.524884
  C      -8.527702     -1.491553      3.909992
  C      -3.788314     -6.493032      6.850647
  C      -3.209002     -5.215026      6.242822
  C      -1.964643     -4.655757      6.996838
  C      -0.681033     -5.429600      6.854201
  C      -0.460520     -6.636588      7.537363
  C       0.722207     -7.355833      7.364168
  C       1.739230     -6.883025      6.522655
  C       3.047578     -7.631044      6.377447
  C       4.001379     -7.326236      7.516188
  C       4.054531     -8.158856      8.641444
  C       4.897621     -7.859958      9.713968
  C       5.701286     -6.718834      9.675435
  C       5.658897     -5.882675      8.556320
  C       4.814807     -6.185121      7.486559
  C       1.533675     -5.663305      5.866215
  C       0.343646     -4.954472      6.023033
  H      -4.284942     -2.098265     -0.219180
  H      -2.517394     -2.069318     -0.461244
  H      -3.362470     -0.616008      0.102840
  H      -3.947151     -1.604544      2.215992
  H      -1.699141     -0.523010      1.948131
  H      -1.921161     -1.594774      3.344985
  H      -0.776734     -3.703753      3.554698
  H       1.131969     -5.123662      2.933373
  H       3.063477     -4.617761     -0.308263
  H       2.550041     -5.929492      0.770691
  H       4.529905     -2.745768      0.660627
  H       6.434958     -2.272236      2.176563
  H       6.991467     -3.855159      4.021182
  H       5.647557     -5.935990      4.306247
  H       3.760031     -6.418418      2.765425
  H       1.795712     -2.675299     -0.552660
  H      -0.109157     -1.240570      0.091209
  H      -7.105025     -5.749322      5.766148
  H      -8.620496     -4.848652      5.511031
  H      -8.222775     -6.216825      4.454443
  H      -6.716912     -3.549717      4.670295
  H      -7.410861     -3.300955      2.233572
  H      -8.603109     -4.593058      2.507826
  H     -10.675724     -4.114137      3.699624
  H     -12.162175     -2.477299      4.806390
  H     -11.103315      1.076173      5.573512
  H     -12.528547      0.205909      4.985916
  H     -13.974568     -0.854061      6.537822
  H     -14.487493     -1.597017      8.852534
  H     -12.731279     -1.488316     10.617544
  H     -10.460061     -0.631405     10.047462
  H      -9.949043      0.093915      7.728383
  H      -9.003941      0.443052      4.740079
  H      -7.507035     -1.199656      3.644303
  H      -4.685568     -6.803385      6.296092
  H      -3.076191     -7.328135      6.856712
  H      -4.079156     -6.301735      7.892720
  H      -3.975430     -4.432119      6.360971
  H      -1.803450     -3.627127      6.641993
  H      -2.255832     -4.592970      8.058138
  H      -1.220165     -7.016006      8.223989
  H       0.866313     -8.293075      7.906748
  H       3.515289     -7.357328      5.419417
  H       2.851905     -8.713499      6.352483
  H       3.434946     -9.058496      8.674187
  H       4.930815     -8.523332     10.580173
  H       6.363358     -6.484153     10.510432
  H       6.289358     -4.992535      8.514363
  H       4.785120     -5.524387      6.616854
  H       2.322716     -5.250550      5.233636
  H       0.217341     -4.005999      5.496794
  N      -4.361172     -2.722767      4.491720
  N      -4.428988     -1.623654      5.030757
  H      -5.338372     -1.446087      5.506698
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.039435624499
  N      -3.265163     -3.543881      1.939134
  C      -2.862404     -4.406990      0.830070
  C      -2.625656     -5.805920      1.352650
  N      -3.658098     -6.139518      2.364943
  C      -4.967646     -6.467402      1.740874
  C      -6.088829     -6.253904      2.743550
  N      -5.879907     -4.992581      3.460928
  Mo     -4.063551     -4.276051      3.577548
  N      -2.964243     -5.330667      4.820499
  C      -2.252098     -6.507339      4.314492
  C      -3.162542     -7.185933      3.297832
  H      -2.004043     -7.209780      5.119980
  H      -1.294565     -6.205651      3.861274
  H      -4.028944     -7.612292      3.820783
  H      -2.654207     -7.991519      2.741726
  H      -7.043806     -6.239198      2.192714
  H      -6.148865     -7.096946      3.455683
  H      -5.100256     -5.774165      0.899224
  H      -4.963931     -7.497031      1.345461
  H      -1.927069     -4.040779      0.378503
  H      -3.627787     -4.386467      0.033667
  H      -1.651988     -5.827878      1.858058
  H      -2.615102     -6.557288      0.545844
  C      -3.351964     -1.692234      0.227487
  C      -3.149351     -2.087711      1.689259
  C      -1.805724     -1.567294      2.284059
  C      -0.599181     -2.370660      1.887136
  C      -0.208808     -3.470459      2.666441
  C       0.863120     -4.280175      2.299205
  C       1.590590     -4.017928      1.129845
  C       2.788648     -4.858019      0.735879
  C       3.958490     -4.657790      1.676712
  C       4.685932     -3.460018      1.660053
  C       5.730412     -3.245925      2.560212
  C       6.065829     -4.230212      3.494556
  C       5.355065     -5.432110      3.513586
  C       4.308998     -5.641045      2.611239
  C       1.213330     -2.910896      0.357656
  C       0.138947     -2.097772      0.728561
  C      -7.794243     -5.374201      5.018058
  C      -7.082175     -4.402357      4.077227
  C      -8.033399     -3.814746      3.002849
  C      -8.980350     -2.805982      3.598173
  C     -10.301675     -3.137588      3.929535
  C     -11.145621     -2.207125      4.533650
  C     -10.700026     -0.909773      4.821851
  C     -11.611999      0.090423      5.500921
  C     -11.941466     -0.312374      6.923578
  C     -13.207545     -0.802348      7.263986
  C     -13.492793     -1.198302      8.573972
  C     -12.511857     -1.106633      9.562549
  C     -11.244069     -0.616225      9.233855
  C     -10.962919     -0.225049      7.925071
  C      -9.383695     -0.573739      4.481803
  C      -8.536838     -1.507144      3.881786
  C      -3.782251     -6.524385      6.867448
  C      -3.211480     -5.236989      6.270051
  C      -1.973175     -4.673764      7.030546
  C      -0.677471     -5.422465      6.861367
  C      -0.432555     -6.644506      7.508752
  C       0.759094     -7.340916      7.304832
  C       1.759648     -6.830909      6.465413
  C       3.077193     -7.554500      6.283603
  C       4.042998     -7.261640      7.415280
  C       4.115646     -8.111903      8.526347
  C       4.970314     -7.824760      9.592756
  C       5.766501     -6.677996      9.562426
  C       5.704540     -5.824436      8.457686
  C       4.848459     -6.114929      7.393994
  C       1.529922     -5.596813      5.844843
  C       0.332436     -4.908871      6.035777
  H      -4.305581     -2.076196     -0.161487
  H      -2.540897     -2.046195     -0.422846
  H      -3.378901     -0.596078      0.159326
  H      -3.942339     -1.597859      2.272227
  H      -1.694651     -0.514992      1.979617
  H      -1.906359     -1.585581      3.379432
  H      -0.761529     -3.694586      3.581547
  H       1.143177     -5.112344      2.950614
  H       3.082444     -4.577220     -0.286654
  H       2.522606     -5.925767      0.722170
  H       4.428072     -2.684059      0.935035
  H       6.290648     -2.309654      2.528729
  H       6.884371     -4.065535      4.197076
  H       5.622971     -6.215773      4.224705
  H       3.774861     -6.594883      2.605612
  H       1.773010     -2.677746     -0.551370
  H      -0.123660     -1.238580      0.106649
  H      -7.105417     -5.746864      5.789843
  H      -8.627204     -4.861381      5.517732
  H      -8.210069     -6.234966      4.474747
  H      -6.725654     -3.554430      4.677533
  H      -7.409250     -3.332376      2.234646
  H      -8.598858     -4.625124      2.517389
  H     -10.675041     -4.140298      3.706810
  H     -12.169037     -2.493525      4.787339
  H     -11.122986      1.076553      5.500026
  H     -12.545807      0.192111      4.926738
  H     -13.981563     -0.866711      6.495208
  H     -14.487091     -1.573902      8.822763
  H     -12.734505     -1.410012     10.586883
  H     -10.473980     -0.533871     10.003370
  H      -9.969928      0.155273      7.671285
  H      -9.022009      0.437952      4.681604
  H      -7.517151     -1.215042      3.612633
  H      -4.676803     -6.836924      6.309767
  H      -3.064492     -7.354504      6.869042
  H      -4.075942     -6.342187      7.910354
  H      -3.986059     -4.462575      6.393017
  H      -1.830261     -3.635086      6.697770
  H      -2.258478     -4.640015      8.094808
  H      -1.180002     -7.054007      8.191435
  H       0.921666     -8.290726      7.819658
  H       3.525507     -7.248165      5.326473
  H       2.898629     -8.639176      6.234174
  H       3.502970     -9.016548      8.552326
  H       5.018770     -8.501803     10.447637
  H       6.437611     -6.452435     10.392763
  H       6.328536     -4.929451      8.422162
  H       4.803391     -5.440271      6.535723
  H       2.304997     -5.156483      5.213105
  H       0.187553     -3.948715      5.536433
  N      -4.363844     -2.733517      4.532890
  N      -4.424865     -1.636955      5.077558
  H      -5.330809     -1.454808      5.557708
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.039852292393
  N      -3.252660     -3.535857      1.967567
  C      -2.849869     -4.398214      0.857524
  C      -2.608281     -5.796540      1.379331
  N      -3.639425     -6.133903      2.391566
  C      -4.947442     -6.466934      1.767571
  C      -6.070420     -6.255348      2.768310
  N      -5.869250     -4.989896      3.480604
  Mo     -4.054893     -4.269586      3.603949
  N      -2.959123     -5.322980      4.850320
  C      -2.237233     -6.493661      4.344556
  C      -3.140419     -7.177899      3.325273
  H      -1.984648     -7.194477      5.149841
  H      -1.282170     -6.183550      3.891937
  H      -4.005661     -7.610576      3.844937
  H      -2.624644     -7.979407      2.770093
  H      -7.024333     -6.247602      2.215412
  H      -6.127288     -7.095405      3.484116
  H      -5.081654     -5.775362      0.924749
  H      -4.940704     -7.497235      1.373943
  H      -1.916128     -4.029659      0.404639
  H      -3.617066     -4.378791      0.062944
  H      -1.633920     -5.814992      1.884498
  H      -2.595024     -6.547403      0.572126
  C      -3.354317     -1.683113      0.256574
  C      -3.140339     -2.079456      1.716376
  C      -1.793281     -1.555719      2.300600
  C      -0.589322     -2.359686      1.895942
  C      -0.190008     -3.456308      2.675369
  C       0.881858     -4.263520      2.302829
  C       1.599131     -4.002935      1.127430
  C       2.796461     -4.842696      0.733191
  C       3.936249     -4.701342      1.720675
  C       4.611082     -3.479799      1.853167
  C       5.627051     -3.323960      2.796174
  C       5.985345     -4.390475      3.626535
  C       5.326071     -5.614300      3.498253
  C       4.306564     -5.764877      2.553852
  C       1.212935     -2.900109      0.353972
  C       0.139110     -2.088465      0.730760
  C      -7.783532     -5.369681      5.037274
  C      -7.075814     -4.401552      4.089679
  C      -8.028274     -3.829577      3.007692
  C      -8.983812     -2.822321      3.591639
  C     -10.303185     -3.160565      3.923951
  C     -11.156084     -2.229837      4.515009
  C     -10.721370     -0.925864      4.789209
  C     -11.642285      0.075982      5.453793
  C     -11.966066     -0.309128      6.882633
  C     -13.223143     -0.816601      7.230469
  C     -13.501652     -1.196819      8.546567
  C     -12.523026     -1.071522      9.533741
  C     -11.264277     -0.563170      9.197592
  C     -10.989764     -0.187814      7.882806
  C      -9.406586     -0.583702      4.449116
  C      -8.550966     -1.517045      3.861792
  C      -3.788070     -6.526329      6.888888
  C      -3.216778     -5.235121      6.299001
  C      -1.983462     -4.672933      7.067800
  C      -0.682729     -5.408661      6.881064
  C      -0.424250     -6.639944      7.505277
  C       0.767833     -7.327335      7.274779
  C       1.753228     -6.801013      6.427614
  C       3.069581     -7.517052      6.210500
  C       4.061109     -7.225054      7.319819
  C       4.156630     -8.073333      8.430841
  C       5.036489     -7.786627      9.476560
  C       5.835849     -6.642612      9.425218
  C       5.751137     -5.791415      8.320399
  C       4.869420     -6.081124      7.277452
  C       1.510607     -5.557759      5.830638
  C       0.314594     -4.876248      6.053090
  H      -4.310789     -2.067229     -0.125224
  H      -2.548324     -2.036110     -0.400583
  H      -3.382137     -0.586914      0.189624
  H      -3.930312     -1.591230      2.305007
  H      -1.684877     -0.504470      1.991590
  H      -1.885687     -1.570105      3.396680
  H      -0.733935     -3.679256      3.595804
  H       1.171810     -5.090866      2.955991
  H       3.125245     -4.522642     -0.267240
  H       2.516885     -5.904968      0.665144
  H       4.334094     -2.639491      1.211749
  H       6.147338     -2.368113      2.880627
  H       6.780817     -4.270381      4.363852
  H       5.610224     -6.458387      4.129696
  H       3.806552     -6.730137      2.437738
  H       1.765084     -2.668675     -0.560096
  H      -0.129879     -1.231619      0.108324
  H      -7.094199     -5.729864      5.814575
  H      -8.622097     -4.858652      5.529449
  H      -8.190329     -6.238805      4.500418
  H      -6.725523     -3.545627      4.682427
  H      -7.404961     -3.349333      2.237500
  H      -8.586414     -4.647940      2.527228
  H     -10.668338     -4.168461      3.711137
  H     -12.177983     -2.521615      4.768813
  H     -11.161953      1.066201      5.438436
  H     -12.577533      0.160682      4.879257
  H     -13.995692     -0.906965      6.462811
  H     -14.489111     -1.586349      8.801212
  H     -12.740696     -1.362476     10.562759
  H     -10.496311     -0.454262      9.965958
  H     -10.003864      0.206765      7.622936
  H      -9.053554      0.433155      4.637979
  H      -7.532869     -1.219987      3.592092
  H      -4.679722     -6.838274      6.326206
  H      -3.069152     -7.355373      6.891224
  H      -4.086993     -6.347900      7.930966
  H      -3.995014     -4.463923      6.420327
  H      -1.849107     -3.628257      6.750601
  H      -2.266068     -4.658712      8.133216
  H      -1.161532     -7.064483      8.189898
  H       0.940534     -8.285118      7.771265
  H       3.492331     -7.200500      5.245576
  H       2.895806     -8.602441      6.157760
  H       3.542358     -8.976341      8.472942
  H       5.102410     -8.461980     10.331651
  H       6.526643     -6.417507     10.239430
  H       6.376926     -4.898449      8.268443
  H       4.807057     -5.408243      6.418797
  H       2.273254     -5.106552      5.191109
  H       0.158702     -3.908799      5.571495
  N      -4.357494     -2.727112      4.558384
  N      -4.410887     -1.628174      5.099111
  H      -5.310872     -1.440309      5.587557
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.040234369111
  N      -3.230560     -3.514010      1.983698
  C      -2.830447     -4.378839      0.873907
  C      -2.586993     -5.776500      1.396927
  N      -3.617552     -6.113913      2.409731
  C      -4.924142     -6.451564      1.785842
  C      -6.048819     -6.237038      2.783679
  N      -5.853863     -4.965719      3.487690
  Mo     -4.039986     -4.244428      3.619325
  N      -2.952475     -5.297985      4.871926
  C      -2.222299     -6.464869      4.369025
  C      -3.117290     -7.154909      3.346425
  H      -1.966322     -7.162806      5.175467
  H      -1.269176     -6.148215      3.916934
  H      -3.982552     -7.593477      3.861018
  H      -2.593020     -7.952681      2.793793
  H      -7.001895     -6.237008      2.229272
  H      -6.102984     -7.071838      3.505724
  H      -5.058404     -5.764211      0.939553
  H      -4.915897     -7.483822      1.397404
  H      -1.898058     -4.010377      0.418363
  H      -3.600456     -4.360277      0.082110
  H      -1.611676     -5.793564      1.901276
  H      -2.573654     -6.527794      0.590159
  C      -3.340197     -1.661294      0.271777
  C      -3.115286     -2.058329      1.729593
  C      -1.761810     -1.535200      2.300822
  C      -0.563508     -2.344298      1.887871
  C      -0.157057     -3.438827      2.666701
  C       0.909887     -4.248313      2.284505
  C       1.614527     -3.991885      1.101361
  C       2.802616     -4.840664      0.701927
  C       3.917619     -4.770122      1.725039
  C       4.556222     -3.550820      1.992663
  C       5.557312     -3.467142      2.959807
  C       5.935403     -4.604349      3.680996
  C       5.309984     -5.824383      3.420441
  C       4.302845     -5.902858      2.453376
  C       1.223366     -2.890334      0.329147
  C       0.154084     -2.076704      0.714818
  C      -7.767143     -5.348591      5.043943
  C      -7.063502     -4.380719      4.093429
  C      -8.017125     -3.816936      3.007838
  C      -8.986772     -2.821565      3.588451
  C     -10.302891     -3.176237      3.916267
  C     -11.170014     -2.255888      4.502788
  C     -10.752846     -0.946509      4.777983
  C     -11.688610      0.044281      5.438409
  C     -12.005333     -0.339670      6.869249
  C     -13.252408     -0.869610      7.219353
  C     -13.523541     -1.249361      8.537104
  C     -12.547502     -1.101134      9.523594
  C     -11.298847     -0.569944      9.185210
  C     -11.031642     -0.195071      7.868842
  C      -9.440883     -0.588318      4.443450
  C      -8.571348     -1.510887      3.859686
  C      -3.795574     -6.503695      6.905148
  C      -3.221529     -5.211403      6.319158
  C      -1.993241     -4.649967      7.096215
  C      -0.691440     -5.381931      6.904485
  C      -0.426065     -6.612070      7.527739
  C       0.764163     -7.298455      7.285956
  C       1.737795     -6.774975      6.423639
  C       3.051170     -7.491435      6.191410
  C       4.060834     -7.188161      7.281008
  C       4.183029     -8.029828      8.394502
  C       5.082511     -7.732798      9.420399
  C       5.875636     -6.585539      9.346068
  C       5.763971     -5.741079      8.238709
  C       4.861989     -6.040492      7.215940
  C       1.487807     -5.533713      5.825297
  C       0.295986     -4.850054      6.065608
  H      -4.301733     -2.041189     -0.101431
  H      -2.541927     -2.017789     -0.392900
  H      -3.363500     -0.565015      0.205155
  H      -3.899837     -1.567985      2.324021
  H      -1.652689     -0.486078      1.985008
  H      -1.844755     -1.543022      3.397626
  H      -0.689826     -3.657914      3.594263
  H       1.209163     -5.073363      2.936124
  H       3.164178     -4.489573     -0.277005
  H       2.500417     -5.892427      0.582847
  H       4.264062     -2.656280      1.437083
  H       6.050412     -2.512022      3.149740
  H       6.717601     -4.540065      4.439290
  H       5.605137     -6.719662      3.971527
  H       3.817659     -6.860201      2.243717
  H       1.767202     -2.662024     -0.590642
  H      -0.119509     -1.220698      0.093264
  H      -7.076070     -5.702680      5.822560
  H      -8.608385     -4.840014      5.534077
  H      -8.168842     -6.221766      4.509836
  H      -6.717998     -3.520068      4.682436
  H      -7.394280     -3.328282      2.242556
  H      -8.563158     -4.640220      2.521940
  H     -10.654559     -4.188759      3.702682
  H     -12.189096     -2.560842      4.752422
  H     -11.223366      1.041537      5.418704
  H     -12.625647      0.111786      4.864606
  H     -14.023217     -0.977987      6.452294
  H     -14.503349     -1.656632      8.793541
  H     -12.759570     -1.391841     10.553848
  H     -10.533276     -0.442820      9.953164
  H     -10.053672      0.217512      7.607004
  H      -9.101328      0.432935      4.633308
  H      -7.555809     -1.201218      3.594680
  H      -4.684840     -6.815054      6.338381
  H      -3.076632     -7.332662      6.910779
  H      -4.099366     -6.325376      7.945842
  H      -4.001988     -4.441537      6.435098
  H      -1.860605     -3.602955      6.786223
  H      -2.277313     -4.644550      8.161274
  H      -1.155756     -7.035646      8.221152
  H       0.943467     -8.254583      7.783328
  H       3.456972     -7.180362      5.217846
  H       2.878590     -8.577595      6.149799
  H       3.574205     -8.935534      8.454215
  H       5.168870     -8.402788     10.277897
  H       6.581753     -6.352637     10.144828
  H       6.383852     -4.845159      8.169109
  H       4.779212     -5.373205      6.354731
  H       2.239976     -5.087355      5.169452
  H       0.133552     -3.882645      5.586344
  N      -4.342945     -2.700191      4.570458
  N      -4.389933     -1.599522      5.108564
  H      -5.282070     -1.409244      5.609411
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.040486235402
  N      -3.210095     -3.511341      1.986415
  C      -2.814519     -4.389202      0.884748
  C      -2.572614     -5.781876      1.421246
  N      -3.603627     -6.107503      2.437708
  C      -4.910189     -6.451763      1.817410
  C      -6.034912     -6.222904      2.812091
  N      -5.841397     -4.940763      3.497473
  Mo     -4.025978     -4.222275      3.628884
  N      -2.948040     -5.268383      4.895784
  C      -2.214687     -6.438450      4.404569
  C      -3.104501     -7.139348      3.385209
  H      -1.957844     -7.127937      5.217975
  H      -1.262035     -6.123128      3.950647
  H      -3.970635     -7.577295      3.898823
  H      -2.574901     -7.939436      2.841068
  H      -6.988648     -6.233019      2.259024
  H      -6.086525     -7.046704      3.546835
  H      -5.043639     -5.776090      0.961656
  H      -4.902840     -7.489331      1.443337
  H      -1.883437     -4.026162      0.422382
  H      -3.587749     -4.378221      0.095952
  H      -1.596327     -5.797034      1.924050
  H      -2.562570     -6.540434      0.621245
  C      -3.328379     -1.680270      0.252376
  C      -3.093866     -2.059513      1.713375
  C      -1.736592     -1.527182      2.268705
  C      -0.538340     -2.338753      1.859666
  C      -0.123401     -3.420886      2.651257
  C       0.947756     -4.227683      2.275876
  C       1.648833     -3.980689      1.088705
  C       2.840033     -4.831688      0.704664
  C       3.925016     -4.803768      1.762371
  C       4.515568     -3.588215      2.137660
  C       5.498894     -3.548304      3.125271
  C       5.906464     -4.726297      3.760163
  C       5.325948     -5.941519      3.395594
  C       4.336408     -5.976893      2.407514
  C       1.248522     -2.892693      0.302565
  C       0.174128     -2.081944      0.680783
  C      -7.751483     -5.313753      5.059859
  C      -7.051105     -4.352645      4.100235
  C      -8.007208     -3.798034      3.012084
  C      -8.989809     -2.813839      3.589600
  C     -10.303049     -3.183911      3.911678
  C     -11.183316     -2.274237      4.495223
  C     -10.782502     -0.960559      4.773956
  C     -11.732861      0.017759      5.432095
  C     -12.043978     -0.366876      6.864101
  C     -13.282331     -0.917015      7.214274
  C     -13.548564     -1.297970      8.532644
  C     -12.576363     -1.130695      9.519858
  C     -11.336665     -0.578998      9.181524
  C     -11.074297     -0.203002      7.864500
  C      -9.473142     -0.587098      4.445762
  C      -8.590603     -1.498830      3.864388
  C      -3.805769     -6.469866      6.924491
  C      -3.229888     -5.177504      6.340334
  C      -2.006525     -4.615987      7.125420
  C      -0.704561     -5.344697      6.926286
  C      -0.436244     -6.578957      7.539745
  C       0.748340     -7.267673      7.278982
  C       1.711487     -6.744263      6.404848
  C       3.015452     -7.468647      6.146405
  C       4.047553     -7.176310      7.217422
  C       4.194893     -8.028456      8.319789
  C       5.118264     -7.741127      9.327110
  C       5.910753     -6.593861      9.244465
  C       5.773919     -5.739351      8.147723
  C       4.847820     -6.028697      7.143759
  C       1.460516     -5.497447      5.818517
  C       0.275102     -4.810017      6.080596
  H      -4.293111     -2.063273     -0.109316
  H      -2.535683     -2.046042     -0.413964
  H      -3.350471     -0.584899      0.172551
  H      -3.874770     -1.561548      2.306260
  H      -1.631322     -0.482590      1.937263
  H      -1.812565     -1.518798      3.365982
  H      -0.650029     -3.629758      3.584390
  H       1.257432     -5.042782      2.934838
  H       3.235794     -4.465219     -0.255520
  H       2.527836     -5.876294      0.550092
  H       4.200109     -2.662682      1.649894
  H       5.954548     -2.595199      3.399959
  H       6.673986     -4.696440      4.535410
  H       5.639573     -6.866315      3.884583
  H       3.878922     -6.928657      2.123877
  H       1.791196     -2.670807     -0.619441
  H      -0.105171     -1.233934      0.050920
  H      -7.057352     -5.662422      5.838191
  H      -8.590911     -4.802000      5.549688
  H      -8.155011     -6.190733      4.533451
  H      -6.705943     -3.486362      4.681359
  H      -7.386067     -3.302249      2.249924
  H      -8.542568     -4.626229      2.522753
  H     -10.642080     -4.200350      3.696266
  H     -12.199720     -2.591569      4.740270
  H     -11.283391      1.022107      5.409259
  H     -12.671158      0.068468      4.858681
  H     -14.050341     -1.040567      6.446747
  H     -14.521581     -1.721240      8.788945
  H     -12.784585     -1.422487     10.550568
  H     -10.574417     -0.436784      9.950102
  H     -10.103464      0.226039      7.602923
  H      -9.145649      0.437441      4.639016
  H      -7.577159     -1.177475      3.605396
  H      -4.691339     -6.783151      6.353093
  H      -3.085321     -7.297583      6.935376
  H      -4.115729     -6.290314      7.963159
  H      -4.012098     -4.408470      6.448028
  H      -1.876349     -3.566379      6.823405
  H      -2.291650     -4.619782      8.190106
  H      -1.160309     -7.005246      8.237536
  H       0.930326     -8.227593      7.767995
  H       3.405566     -7.155283      5.167199
  H       2.834852     -8.553433      6.103453
  H       3.586183     -8.933774      8.385603
  H       5.223698     -8.418661     10.176492
  H       6.635678     -6.369009     10.028531
  H       6.393113     -4.843441      8.071458
  H       4.746980     -5.355385      6.289236
  H       2.204945     -5.052518      5.153032
  H       0.110216     -3.836888      5.613833
  N      -4.323170     -2.666961      4.563120
  N      -4.362168     -1.560154      5.089627
  H      -5.247870     -1.363253      5.598693
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.040764410678
  N      -3.199103     -3.495470      1.994184
  C      -2.809566     -4.383322      0.897654
  C      -2.558696     -5.770576      1.444617
  N      -3.583669     -6.091598      2.469861
  C      -4.891116     -6.451213      1.859805
  C      -6.011658     -6.211654      2.857104
  N      -5.822458     -4.915707      3.518743
  Mo     -4.007352     -4.193666      3.647802
  N      -2.928698     -5.230844      4.922194
  C      -2.190407     -6.401254      4.437567
  C      -3.075315     -7.114212      3.423312
  H      -1.926317     -7.082422      5.255505
  H      -1.240928     -6.083449      3.978546
  H      -3.937601     -7.559536      3.936969
  H      -2.537146     -7.910968      2.882665
  H      -6.969952     -6.239416      2.312801
  H      -6.050477     -7.022371      3.607068
  H      -5.031916     -5.790972      0.993335
  H      -4.879866     -7.494933      1.503397
  H      -1.885442     -4.019165      0.422655
  H      -3.591476     -4.384808      0.117316
  H      -1.578308     -5.781347      1.939976
  H      -2.554007     -6.534683      0.649813
  C      -3.342258     -1.680088      0.245352
  C      -3.088294     -2.046738      1.706345
  C      -1.725338     -1.503436      2.238459
  C      -0.528579     -2.313865      1.822139
  C      -0.103777     -3.393483      2.612160
  C       0.966557     -4.196121      2.225853
  C       1.661005     -3.943317      1.036143
  C       2.849161     -4.798512      0.655410
  C       3.916065     -4.822969      1.732257
  C       4.492664     -3.627232      2.186029
  C       5.482785     -3.641343      3.167487
  C       5.909089     -4.854010      3.718831
  C       5.334483     -6.048696      3.284335
  C       4.340452     -6.031050      2.300172
  C       1.252676     -2.857017      0.252752
  C       0.174594     -2.054466      0.637610
  C      -7.732843     -5.277341      5.084615
  C      -7.033381     -4.324517      4.116148
  C      -7.988701     -3.778847      3.022947
  C      -8.989086     -2.809549      3.594334
  C     -10.299365     -3.198616      3.905749
  C     -11.197771     -2.301413      4.480930
  C     -10.818799     -0.981685      4.762119
  C     -11.791102     -0.017716      5.408827
  C     -12.106611     -0.398776      6.840888
  C     -13.342344     -0.958993      7.184874
  C     -13.614885     -1.336016      8.503017
  C     -12.651678     -1.154694      9.496544
  C     -11.415014     -0.592577      9.164564
  C     -11.146347     -0.220561      7.847670
  C      -9.512031     -0.589728      4.445823
  C      -8.611478     -1.488886      3.872596
  C      -3.776813     -6.419240      6.961740
  C      -3.205119     -5.129618      6.367374
  C      -1.977842     -4.565196      7.146085
  C      -0.682549     -5.304868      6.949672
  C      -0.417143     -6.529384      7.583242
  C       0.757516     -7.232423      7.319018
  C       1.711595     -6.735831      6.419382
  C       3.003152     -7.481025      6.159097
  C       4.041504     -7.206584      7.228404
  C       4.222790     -8.093087      8.297860
  C       5.156267     -7.821333      9.300558
  C       5.924704     -6.656164      9.245336
  C       5.752815     -5.767099      8.181378
  C       4.816611     -6.040533      7.182620
  C       1.465224     -5.497378      5.813273
  C       0.290062     -4.793761      6.082102
  H      -4.310664     -2.068214     -0.100782
  H      -2.557763     -2.049472     -0.428748
  H      -3.367769     -0.585524      0.156975
  H      -3.863499     -1.545703      2.304215
  H      -1.628466     -0.462217      1.894442
  H      -1.787567     -1.482558      3.336459
  H      -0.619337     -3.601143      3.551429
  H       1.289483     -5.013514      2.874845
  H       3.272010     -4.422985     -0.290014
  H       2.518375     -5.832520      0.466641
  H       4.163487     -2.675695      1.761834
  H       5.928504     -2.703185      3.503103
  H       6.682300     -4.866672      4.488743
  H       5.654358     -6.998683      3.718770
  H       3.880737     -6.966847      1.970847
  H       1.793153     -2.628829     -0.668942
  H      -0.112598     -1.206070      0.011892
  H      -7.035549     -5.624281      5.860852
  H      -8.567342     -4.759669      5.576407
  H      -8.143198     -6.155793      4.566021
  H      -6.689645     -3.452337      4.689587
  H      -7.366845     -3.272549      2.268128
  H      -8.508520     -4.611712      2.524816
  H     -10.621932     -4.220035      3.688603
  H     -12.211551     -2.633329      4.717277
  H     -11.361875      0.995340      5.381823
  H     -12.726571      0.010281      4.829253
  H     -14.103385     -1.094054      6.412420
  H     -14.585643     -1.767479      8.754028
  H     -12.864511     -1.443711     10.527060
  H     -10.660064     -0.439193      9.938127
  H     -10.178146      0.217556      7.591751
  H      -9.200415      0.439255      4.641624
  H      -7.600506     -1.153100      3.622463
  H      -4.665754     -6.736004      6.397706
  H      -3.054936     -7.245750      6.971883
  H      -4.079968     -6.234676      8.001558
  H      -3.986382     -4.359641      6.471682
  H      -1.843257     -3.518844      6.835030
  H      -2.261024     -4.558106      8.211128
  H      -1.135505     -6.936072      8.298537
  H       0.940402     -8.182841      7.825968
  H       3.398099     -7.173363      5.179673
  H       2.805165     -8.562738      6.115510
  H       3.631688     -9.011248      8.341707
  H       5.288030     -8.524903     10.124688
  H       6.657530     -6.444061     10.025571
  H       6.352640     -4.856460      8.126875
  H       4.689641     -5.342739      6.351827
  H       2.203876     -5.074968      5.126655
  H       0.126601     -3.823361      5.609186
  N      -4.303003     -2.631720      4.570077
  N      -4.345140     -1.525354      5.098365
  H      -5.225349     -1.339525      5.620453
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041033068622
  N      -3.209710     -3.489494      2.002445
  C      -2.825357     -4.379383      0.905574
  C      -2.559144     -5.762420      1.455734
  N      -3.574241     -6.086917      2.490543
  C      -4.884408     -6.459728      1.893165
  C      -5.997175     -6.218341      2.899387
  N      -5.811380     -4.913100      3.544651
  Mo     -3.997346     -4.186741      3.666452
  N      -2.904749     -5.217305      4.935862
  C      -2.164109     -6.385578      4.448175
  C      -3.050828     -7.104961      3.441024
  H      -1.891381     -7.063782      5.265699
  H      -1.218468     -6.064806      3.983307
  H      -3.905861     -7.558744      3.959468
  H      -2.509598     -7.896973      2.896502
  H      -6.961986     -6.261294      2.367974
  H      -6.019091     -7.021284      3.658430
  H      -5.037288     -5.808796      1.021830
  H      -4.868422     -7.506592      1.546370
  H      -1.910669     -4.009001      0.417444
  H      -3.616745     -4.392833      0.134819
  H      -1.574610     -5.766733      1.942430
  H      -2.557518     -6.528825      0.663040
  C      -3.387953     -1.687459      0.245008
  C      -3.113594     -2.042001      1.705472
  C      -1.748936     -1.485203      2.218547
  C      -0.550357     -2.292966      1.803998
  C      -0.123432     -3.368222      2.599183
  C       0.947813     -4.169100      2.214546
  C       1.643892     -3.917657      1.024563
  C       2.829857     -4.779477      0.652201
  C       3.867246     -4.864725      1.754276
  C       4.384098     -3.695558      2.332808
  C       5.350983     -3.763638      3.335078
  C       5.813892     -5.005295      3.781990
  C       5.297603     -6.175022      3.223898
  C       4.328670     -6.103240      2.217370
  C       1.234044     -2.835435      0.237164
  C       0.151843     -2.036333      0.618470
  C      -7.721978     -5.259233      5.114875
  C      -7.023645     -4.317189      4.134798
  C      -7.979034     -3.784651      3.035263
  C      -8.985611     -2.815146      3.595341
  C     -10.296522     -3.206688      3.900934
  C     -11.201567     -2.308726      4.464474
  C     -10.829005     -0.985774      4.739546
  C     -11.810443     -0.021919      5.372375
  C     -12.140290     -0.395708      6.803053
  C     -13.379725     -0.954764      7.136134
  C     -13.667157     -1.325176      8.452934
  C     -12.715353     -1.138283      9.456432
  C     -11.475357     -0.577236      9.135501
  C     -11.191842     -0.211877      7.819778
  C      -9.521517     -0.591424      4.429363
  C      -8.614406     -1.491363      3.867641
  C      -3.716008     -6.404944      6.988624
  C      -3.162007     -5.112520      6.384202
  C      -1.930070     -4.535938      7.149459
  C      -0.630561     -5.264684      6.940199
  C      -0.352522     -6.491686      7.563647
  C       0.824339     -7.184961      7.284835
  C       1.770628     -6.674128      6.384643
  C       3.062283     -7.414019      6.108838
  C       4.091821     -7.186378      7.197454
  C       4.288391     -8.132666      8.211268
  C       5.214978     -7.904439      9.231350
  C       5.960301     -6.723356      9.249516
  C       5.772762     -5.774347      8.241190
  C       4.844349     -6.004743      7.224721
  C       1.514935     -5.430331      5.793630
  C       0.334643     -4.738880      6.072295
  H      -4.356343     -2.087635     -0.087180
  H      -2.607838     -2.053660     -0.435979
  H      -3.425495     -0.593859      0.149597
  H      -3.885137     -1.542725      2.309255
  H      -1.661200     -0.447167      1.862821
  H      -1.802571     -1.452714      3.316867
  H      -0.637437     -3.572445      3.540085
  H       1.275412     -4.986240      2.861317
  H       3.288524     -4.385978     -0.269147
  H       2.483897     -5.799181      0.415717
  H       4.021607     -2.722120      1.994172
  H       5.748230     -2.844761      3.770127
  H       6.570688     -5.060615      4.566115
  H       5.645550     -7.147974      3.577555
  H       3.918811     -7.021268      1.788357
  H       1.777104     -2.606714     -0.682850
  H      -0.138911     -1.190951     -0.009710
  H      -7.022828     -5.598758      5.892633
  H      -8.554485     -4.735732      5.603673
  H      -8.135389     -6.142561      4.607026
  H      -6.680899     -3.438093      4.698143
  H      -7.357290     -3.281711      2.278025
  H      -8.494046     -4.623277      2.541862
  H     -10.614461     -4.230528      3.688568
  H     -12.215787     -2.642132      4.696514
  H     -11.385345      0.992798      5.343240
  H     -12.740234     -0.001176      4.783351
  H     -14.131843     -1.094550      6.355876
  H     -14.640500     -1.755855      8.694972
  H     -12.939552     -1.422203     10.485914
  H     -10.729300     -0.419525      9.916720
  H     -10.221186      0.225925      7.573285
  H      -9.214195      0.439607      4.620911
  H      -7.602972     -1.154171      3.621467
  H      -4.608767     -6.730635      6.435985
  H      -2.986692     -7.224869      6.990887
  H      -4.007792     -6.221144      8.031802
  H      -3.947492     -4.348096      6.494780
  H      -1.808446     -3.488292      6.837408
  H      -2.203129     -4.529989      8.217101
  H      -1.063118     -6.908859      8.280529
  H       1.017832     -8.137745      7.783337
  H       3.469021     -7.072862      5.144895
  H       2.859906     -8.492315      6.022932
  H       3.714148     -9.062364      8.197653
  H       5.358935     -8.654044     10.011634
  H       6.687438     -6.545253     10.043378
  H       6.354617     -4.850526      8.244205
  H       4.705187     -5.261563      6.436660
  H       2.250113     -4.995950      5.111324
  H       0.161162     -3.763155      5.613713
  N      -4.289273     -2.623758      4.588092
  N      -4.329777     -1.521169      5.124957
  H      -5.215288     -1.337707      5.639251
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041220448003
  N      -3.215214     -3.469077      1.999420
  C      -2.836963     -4.362598      0.903579
  C      -2.560078     -5.741723      1.458945
  N      -3.565691     -6.065469      2.503944
  C      -4.879484     -6.447671      1.919606
  C      -5.983074     -6.200812      2.934954
  N      -5.795688     -4.888173      3.565295
  Mo     -3.981484     -4.160222      3.675065
  N      -2.875176     -5.184776      4.939131
  C      -2.137370     -6.355331      4.450903
  C      -3.030407     -7.079312      3.452834
  H      -1.858205     -7.029820      5.269514
  H      -1.194251     -6.036967      3.979350
  H      -3.879353     -7.535636      3.979091
  H      -2.491270     -7.870912      2.905654
  H      -6.954607     -6.254571      2.417247
  H      -5.990783     -6.996641      3.701855
  H      -5.042796     -5.806043      1.043343
  H      -4.862008     -7.497660      1.582590
  H      -1.929360     -3.989476      0.404490
  H      -3.635281     -4.386135      0.140085
  H      -1.572142     -5.741448      1.937560
  H      -2.563113     -6.511613      0.669548
  C      -3.410424     -1.674719      0.236627
  C      -3.126645     -2.022333      1.697079
  C      -1.760712     -1.459862      2.201475
  C      -0.562423     -2.270810      1.793902
  C      -0.146240     -3.349314      2.591203
  C       0.917957     -4.158799      2.207171
  C       1.619668     -3.912413      1.017791
  C       2.787989     -4.796303      0.641073
  C       3.815761     -4.943010      1.745475
  C       4.325442     -3.809383      2.396436
  C       5.286858     -3.934379      3.399132
  C       5.753529     -5.198639      3.771663
  C       5.244800     -6.334132      3.140107
  C       4.281746     -6.204685      2.134311
  C       1.222502     -2.825279      0.231702
  C       0.145201     -2.018639      0.611357
  C      -7.705933     -5.221763      5.139288
  C      -7.007347     -4.287149      4.152126
  C      -7.961825     -3.761935      3.048927
  C      -8.979841     -2.800464      3.602481
  C     -10.291951     -3.201504      3.890154
  C     -11.208868     -2.312036      4.447623
  C     -10.847468     -0.988545      4.735085
  C     -11.843824     -0.036342      5.362000
  C     -12.196780     -0.425559      6.782835
  C     -13.443219     -0.985026      7.088761
  C     -13.753780     -1.370265      8.395914
  C     -12.818353     -1.198038      9.417354
  C     -11.571657     -0.637143      9.123668
  C     -11.265069     -0.256985      7.817246
  C      -9.538729     -0.584616      4.443188
  C      -8.619862     -1.476079      3.886699
  C      -3.650958     -6.355115      7.013931
  C      -3.108631     -5.067295      6.390218
  C      -1.867540     -4.478127      7.132845
  C      -0.569376     -5.208724      6.921788
  C      -0.284860     -6.426292      7.561154
  C       0.891760     -7.120552      7.285007
  C       1.832534     -6.619955      6.373071
  C       3.121852     -7.364897      6.100751
  C       4.137926     -7.169679      7.208217
  C       4.358118     -8.164721      8.168678
  C       5.273274     -7.966593      9.205611
  C       5.982310     -6.766931      9.294485
  C       5.770906     -5.768522      8.339671
  C       4.855061     -5.969293      7.306165
  C       1.571406     -5.384819      5.767127
  C       0.390252     -4.692946      6.040675
  H      -4.377553     -2.082880     -0.089299
  H      -2.631000     -2.037875     -0.446795
  H      -3.456257     -0.581783      0.137535
  H      -3.896063     -1.523539      2.303738
  H      -1.674370     -0.424622      1.837562
  H      -1.812581     -1.418596      3.299773
  H      -0.666356     -3.550437      3.529608
  H       1.236397     -4.984784      2.847353
  H       3.269512     -4.397819     -0.266526
  H       2.414217     -5.798257      0.371482
  H       3.957975     -2.819255      2.117125
  H       5.677147     -3.041887      3.891636
  H       6.509026     -5.298486      4.552340
  H       5.598320     -7.324734      3.432282
  H       3.886245     -7.096522      1.642568
  H       1.769775     -2.599917     -0.686640
  H      -0.140558     -1.172144     -0.017641
  H      -7.004962     -5.560572      5.915657
  H      -8.533936     -4.692291      5.629217
  H      -8.126661     -6.105524      4.638133
  H      -6.663707     -3.404965      4.710040
  H      -7.340595     -3.254742      2.294072
  H      -8.468336     -4.604318      2.553162
  H     -10.601206     -4.226100      3.669027
  H     -12.223837     -2.651968      4.666270
  H     -11.424756      0.981249      5.348707
  H     -12.763732     -0.015371      4.757551
  H     -14.182265     -1.113993      6.294324
  H     -14.732145     -1.801081      8.616310
  H     -13.060237     -1.493653     10.439468
  H     -10.838033     -0.491447      9.918801
  H     -10.288949      0.180255      7.592877
  H      -9.239152      0.446592      4.645429
  H      -7.607377     -1.132193      3.654758
  H      -4.550241     -6.687789      6.476204
  H      -2.919540     -7.173088      7.011582
  H      -3.928159     -6.164162      8.059712
  H      -3.893646     -4.303052      6.504570
  H      -1.751713     -3.435242      6.803150
  H      -2.130324     -4.454592      8.202799
  H      -0.988747     -6.834035      8.289783
  H       1.092344     -8.064649      7.797071
  H       3.546028     -7.010482      5.149007
  H       2.911064     -8.439349      5.990551
  H       3.811768     -9.108602      8.099319
  H       5.436280     -8.754145      9.943556
  H       6.699920     -6.612180     10.101700
  H       6.324287     -4.829331      8.398686
  H       4.695394     -5.187221      6.560714
  H       2.304834     -4.958230      5.078417
  H       0.209636     -3.723689      5.570717
  N      -4.266636     -2.595465      4.595513
  N      -4.309128     -1.497142      5.142055
  H      -5.204595     -1.317592      5.640778
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041416994563
  N      -3.224072     -3.467647      1.990988
  C      -2.845771     -4.362866      0.897161
  C      -2.564210     -5.739692      1.456574
  N      -3.564710     -6.062075      2.507637
  C      -4.881290     -6.449139      1.931561
  C      -5.978986     -6.198914      2.952914
  N      -5.788629     -4.883387      3.576382
  Mo     -3.974938     -4.154164      3.674468
  N      -2.859726     -5.174295      4.935591
  C      -2.124192     -6.347059      4.447813
  C      -3.022995     -7.073299      3.456051
  H      -1.841802     -7.019259      5.267510
  H      -1.181900     -6.031376      3.972893
  H      -3.868523     -7.527442      3.989614
  H      -2.488235     -7.867162      2.907915
  H      -6.954465     -6.256741      2.443439
  H      -5.979538     -6.991637      3.723168
  H      -5.050907     -5.812819      1.052599
  H      -4.863648     -7.500776      1.599840
  H      -1.940041     -3.988427      0.395440
  H      -3.644594     -4.392043      0.134321
  H      -1.574958     -5.736155      1.931708
  H      -2.569165     -6.512345      0.669893
  C      -3.424476     -1.676720      0.224574
  C      -3.144239     -2.020694      1.686744
  C      -1.784366     -1.449743      2.197735
  C      -0.579874     -2.252094      1.793033
  C      -0.166905     -3.336873      2.584335
  C       0.902705     -4.139062      2.201819
  C       1.612675     -3.880235      1.018352
  C       2.776885     -4.764041      0.629763
  C       3.794148     -4.968144      1.734200
  C       4.277517     -3.875155      2.469209
  C       5.229714     -4.054599      3.473160
  C       5.716104     -5.333455      3.760675
  C       5.238440     -6.428908      3.039602
  C       4.282393     -6.244826      2.036334
  C       1.218102     -2.787178      0.239928
  C       0.135583     -1.987152      0.619130
  C      -7.696034     -5.203847      5.157989
  C      -6.997974     -4.276888      4.163232
  C      -7.953065     -3.757260      3.059207
  C      -8.973975     -2.796473      3.608855
  C     -10.289350     -3.196053      3.883568
  C     -11.208626     -2.306677      4.437083
  C     -10.846398     -0.985035      4.732713
  C     -11.845911     -0.034244      5.356273
  C     -12.212417     -0.431086      6.771217
  C     -13.465312     -0.983737      7.063392
  C     -13.788907     -1.376329      8.365077
  C     -12.860146     -1.218364      9.394995
  C     -11.607146     -0.664702      9.115014
  C     -11.287558     -0.277094      7.813818
  C      -9.534640     -0.582786      4.453594
  C      -8.613365     -1.474312      3.901558
  C      -3.621912     -6.334430      7.020532
  C      -3.082963     -5.050187      6.387487
  C      -1.837745     -4.454141      7.117038
  C      -0.541963     -5.189584      6.910485
  C      -0.252203     -6.393045      7.574351
  C       0.924665     -7.090609      7.308209
  C       1.859278     -6.608721      6.379802
  C       3.148040     -7.357046      6.117371
  C       4.159003     -7.159941      7.229136
  C       4.414652     -8.172804      8.161382
  C       5.326080     -7.973196      9.201621
  C       5.995076     -6.753909      9.322218
  C       5.748361     -5.736788      8.395633
  C       4.837025     -5.939333      7.359011
  C       1.590773     -5.389561      5.746056
  C       0.411186     -4.692832      6.010960
  H      -4.385897     -2.094565     -0.105661
  H      -2.637966     -2.032584     -0.454457
  H      -3.480877     -0.584357      0.124666
  H      -3.919005     -1.526585      2.290211
  H      -1.703913     -0.412830      1.837383
  H      -1.840697     -1.411882      3.296046
  H      -0.697004     -3.548548      3.514875
  H       1.217593     -4.972621      2.834272
  H       3.275835     -4.338912     -0.256326
  H       2.394582     -5.749683      0.315234
  H       3.894464     -2.874606      2.256348
  H       5.597259     -3.192447      4.032723
  H       6.463235     -5.475951      4.542543
  H       5.611636     -7.430590      3.258617
  H       3.916908     -7.105805      1.471677
  H       1.770282     -2.552210     -0.673067
  H      -0.149469     -1.136277     -0.004233
  H      -6.992450     -5.544388      5.931183
  H      -8.517397     -4.667087      5.651214
  H      -8.127047     -6.086438      4.663538
  H      -6.650464     -3.392854      4.715817
  H      -7.333842     -3.251493      2.301720
  H      -8.457761     -4.602567      2.566666
  H     -10.598613     -4.219388      3.656841
  H     -12.226170     -2.644119      4.647196
  H     -11.424585      0.982554      5.351981
  H     -12.759992     -0.007354      4.743182
  H     -14.198757     -1.101619      6.262102
  H     -14.772020     -1.801648      8.574591
  H     -13.111956     -1.519699     10.412997
  H     -10.878359     -0.530628      9.916562
  H     -10.306142      0.154059      7.600641
  H      -9.233866      0.446518      4.663319
  H      -7.597806     -1.132567      3.680442
  H      -4.522959     -6.670401      6.487670
  H      -2.890379     -7.152342      7.018139
  H      -3.894430     -6.139313      8.066657
  H      -3.866790     -4.284637      6.502853
  H      -1.723087     -3.416560      6.770599
  H      -2.096947     -4.413862      8.187344
  H      -0.949979     -6.785027      8.317295
  H       1.131806     -8.021474      7.841484
  H       3.577708     -7.008267      5.166310
  H       2.935460     -8.431475      6.009738
  H       3.899882     -9.132034      8.066425
  H       5.517181     -8.774963      9.917125
  H       6.708899     -6.597587     10.132427
  H       6.270054     -4.781728      8.480485
  H       4.646330     -5.141370      6.637888
  H       2.320194     -4.979272      5.043482
  H       0.223348     -3.736583      5.517722
  N      -4.255579     -2.589064      4.594366
  N      -4.301444     -1.491988      5.144472
  H      -5.199091     -1.320653      5.642765
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041530477106
  N      -3.237671     -3.469905      1.968079
  C      -2.857770     -4.368995      0.878625
  C      -2.567780     -5.741168      1.445429
  N      -3.560940     -6.061251      2.504592
  C      -4.880245     -6.456829      1.939689
  C      -5.971155     -6.203439      2.967723
  N      -5.779566     -4.883871      3.582081
  Mo     -3.968086     -4.149079      3.662546
  N      -2.839543     -5.158740      4.921552
  C      -2.104474     -6.332961      4.435696
  C      -3.009502     -7.066119      3.454282
  H      -1.815979     -7.000091      5.257609
  H      -1.164857     -6.018847      3.954508
  H      -3.849842     -7.517137      3.998549
  H      -2.479084     -7.863104      2.906569
  H      -6.950591     -6.267436      2.466924
  H      -5.962977     -6.991626      3.742638
  H      -5.058525     -5.827632      1.057248
  H      -4.861002     -7.510649      1.615191
  H      -1.954402     -3.993263      0.373291
  H      -3.657123     -4.406846      0.116699
  H      -1.576590     -5.730039      1.916352
  H      -2.573262     -6.519026      0.663996
  C      -3.447971     -1.690185      0.191503
  C      -3.170924     -2.023482      1.656707
  C      -1.819104     -1.437278      2.171368
  C      -0.606842     -2.230461      1.772569
  C      -0.192796     -3.314267      2.565249
  C       0.884804     -4.108470      2.190783
  C       1.603891     -3.841567      1.013654
  C       2.771567     -4.718717      0.622610
  C       3.759138     -4.990932      1.738866
  C       4.173470     -3.960484      2.596345
  C       5.100163     -4.204015      3.611143
  C       5.632436     -5.484864      3.785809
  C       5.226870     -6.517999      2.938845
  C       4.294241     -6.270483      1.927795
  C       1.208383     -2.749215      0.235047
  C       0.116302     -1.957874      0.606060
  C      -7.678993     -5.193189      5.176048
  C      -6.986370     -4.273563      4.170974
  C      -7.946680     -3.762492      3.068668
  C      -8.967075     -2.800117      3.616863
  C     -10.285064     -3.195738      3.884783
  C     -11.203088     -2.304138      4.436691
  C     -10.836875     -0.984440      4.736779
  C     -11.835056     -0.031825      5.359617
  C     -12.209445     -0.433505      6.770897
  C     -13.467930     -0.977139      7.056184
  C     -13.798814     -1.374349      8.354566
  C     -12.871712     -1.230183      9.388099
  C     -11.613192     -0.685776      9.114958
  C     -11.286355     -0.293386      7.816922
  C      -9.522678     -0.586352      4.464277
  C      -8.602589     -1.480255      3.914395
  C      -3.588422     -6.309344      7.015938
  C      -3.053826     -5.027968      6.374079
  C      -1.805145     -4.426547      7.091748
  C      -0.511146     -5.165609      6.889170
  C      -0.219392     -6.359679      7.569310
  C       0.959495     -7.058037      7.314510
  C       1.893705     -6.586574      6.380182
  C       3.185500     -7.333102      6.130763
  C       4.181588     -7.142710      7.256852
  C       4.475428     -8.182669      8.146603
  C       5.375093     -7.990812      9.198831
  C       5.993317     -6.751911      9.374114
  C       5.707730     -5.706540      8.490628
  C       4.808456     -5.901565      7.442571
  C       1.620973     -5.378621      5.727430
  C       0.440127     -4.680734      5.980901
  H      -4.401877     -2.122432     -0.141724
  H      -2.652718     -2.038748     -0.481096
  H      -3.518663     -0.599149      0.086256
  H      -3.953160     -1.533898      2.254404
  H      -1.747648     -0.400453      1.808949
  H      -1.879376     -1.397140      3.269396
  H      -0.730784     -3.530455      3.490089
  H       1.199515     -4.941384      2.824272
  H       3.300466     -4.256016     -0.227084
  H       2.390056     -5.683037      0.246698
  H       3.755681     -2.959169      2.470866
  H       5.411821     -3.389251      4.267429
  H       6.355860     -5.678126      4.578908
  H       5.637018     -7.521060      3.065914
  H       3.988506     -7.082639      1.263828
  H       1.766987     -2.507214     -0.672204
  H      -0.169166     -1.106878     -0.016982
  H      -6.970173     -5.532658      5.944871
  H      -8.493988     -4.650485      5.673518
  H      -8.118850     -6.076361      4.690333
  H      -6.635265     -3.386233      4.715949
  H      -7.332878     -3.260722      2.304075
  H      -8.452361     -4.612078      2.584578
  H     -10.596637     -4.217814      3.655540
  H     -12.222822     -2.637265      4.643045
  H     -11.408856      0.983024      5.361428
  H     -12.745775      0.002615      4.741847
  H     -14.199675     -1.084121      6.251801
  H     -14.786135     -1.792468      8.558714
  H     -13.129062     -1.535094     10.403654
  H     -10.885409     -0.562701      9.919187
  H     -10.300320      0.130063      7.609314
  H      -9.218526      0.441109      4.678121
  H      -7.584404     -1.142409      3.699305
  H      -4.490473     -6.649574      6.487392
  H      -2.855809     -7.126513      7.014539
  H      -3.857319     -6.109996      8.062127
  H      -3.837179     -4.261896      6.491158
  H      -1.691753     -3.393274      6.732152
  H      -2.061298     -4.373565      8.162191
  H      -0.916239     -6.742726      8.317944
  H       1.169810     -7.979998      7.861922
  H       3.627129     -6.979366      5.187144
  H       2.974885     -8.407015      6.013559
  H       4.000480     -9.157040      8.008117
  H       5.596293     -8.813859      9.880721
  H       6.697182     -6.601086     10.194052
  H       6.189071     -4.735403      8.619597
  H       4.583534     -5.080604      6.757913
  H       2.351337     -4.977372      5.020593
  H       0.249167     -3.733426      5.471842
  N      -4.247332     -2.581671      4.578063
  N      -4.298000     -1.484017      5.127500
  H      -5.195541     -1.320126      5.628749
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041639277576
  N      -3.260146     -3.507069      1.933505
  C      -2.872315     -4.413526      0.853896
  C      -2.584084     -5.780785      1.433469
  N      -3.577494     -6.091522      2.494842
  C      -4.897292     -6.489355      1.933018
  C      -5.987847     -6.231599      2.960030
  N      -5.791800     -4.913310      3.574432
  Mo     -3.982583     -4.173363      3.635700
  N      -2.847007     -5.168314      4.900693
  C      -2.115510     -6.347928      4.423454
  C      -3.027004     -7.088449      3.453027
  H      -1.826062     -7.008041      5.250807
  H      -1.176626     -6.040140      3.936808
  H      -3.867145     -7.526283      4.008218
  H      -2.504254     -7.895291      2.912528
  H      -6.966440     -6.291167      2.456998
  H      -5.985018     -7.019582      3.735193
  H      -5.075591     -5.863470      1.048073
  H      -4.878943     -7.544417      1.612519
  H      -1.964023     -4.042625      0.353275
  H      -3.664673     -4.456362      0.085036
  H      -1.593978     -5.763589      1.906650
  H      -2.587238     -6.566268      0.659896
  C      -3.455061     -1.741793      0.140898
  C      -3.200085     -2.061773      1.612751
  C      -1.862026     -1.459340      2.144571
  C      -0.634931     -2.235533      1.756048
  C      -0.215118     -3.315972      2.550186
  C       0.879072     -4.094284      2.190033
  C       1.613768     -3.810114      1.026924
  C       2.806932     -4.656089      0.644265
  C       3.797425     -4.898229      1.765368
  C       4.209960     -3.851053      2.603027
  C       5.135098     -4.073867      3.624497
  C       5.670682     -5.349490      3.824024
  C       5.270705     -6.398437      2.993325
  C       4.337998     -6.172024      1.978172
  C       1.211304     -2.721441      0.245787
  C       0.100700     -1.948561      0.600891
  C      -7.684939     -5.219176      5.176142
  C      -6.994692     -4.300300      4.169166
  C      -7.959535     -3.786316      3.072781
  C      -8.965746     -2.811460      3.625740
  C     -10.287718     -3.189688      3.899109
  C     -11.191373     -2.285889      4.455004
  C     -10.806278     -0.971026      4.752972
  C     -11.788255     -0.004073      5.379943
  C     -12.161900     -0.401223      6.792729
  C     -13.429378     -0.918935      7.086002
  C     -13.759319     -1.311018      8.386251
  C     -12.822086     -1.187741      9.413365
  C     -11.554280     -0.669472      9.132113
  C     -11.228441     -0.282046      7.832300
  C      -9.488072     -0.590367      4.474965
  C      -8.582160     -1.496685      3.921830
  C      -3.607225     -6.306204      6.998013
  C      -3.064035     -5.030458      6.352201
  C      -1.811912     -4.435478      7.066781
  C      -0.523119     -5.185394      6.871491
  C      -0.241332     -6.376863      7.560594
  C       0.935191     -7.083884      7.317659
  C       1.876469     -6.623788      6.384661
  C       3.166767     -7.375484      6.144596
  C       4.160598     -7.179419      7.271608
  C       4.481394     -8.227149      8.142481
  C       5.382215     -8.033889      9.193660
  C       5.974595     -6.785242      9.386801
  C       5.661568     -5.731212      8.522660
  C       4.761014     -5.927827      7.476153
  C       1.611936     -5.419753      5.721617
  C       0.434259     -4.713094      5.963284
  H      -4.398196     -2.186557     -0.206148
  H      -2.643579     -2.086293     -0.514271
  H      -3.535784     -0.652291      0.027024
  H      -3.996874     -1.574889      2.193879
  H      -1.800820     -0.420734      1.785359
  H      -1.934501     -1.422816      3.241800
  H      -0.763515     -3.541415      3.466593
  H       1.192742     -4.922420      2.830091
  H       3.326065     -4.175169     -0.201471
  H       2.456850     -5.631871      0.268221
  H       3.794815     -2.851766      2.454908
  H       5.443521     -3.245761      4.265646
  H       6.387750     -5.527293      4.626779
  H       5.682465     -7.398823      3.138105
  H       4.035095     -6.997049      1.328986
  H       1.780206     -2.466223     -0.651456
  H      -0.186425     -1.098721     -0.023032
  H      -6.973603     -5.563529      5.940429
  H      -8.494759     -4.673409      5.679056
  H      -8.132042     -6.099223      4.691114
  H      -6.638385     -3.414964      4.713768
  H      -7.349566     -3.294439      2.298694
  H      -8.477643     -4.634556      2.599443
  H     -10.613152     -4.207954      3.671943
  H     -12.214699     -2.604804      4.666450
  H     -11.346291      1.004121      5.380865
  H     -12.700484      0.045579      4.765444
  H     -14.168630     -1.009077      6.286335
  H     -14.753722     -1.708753      8.596951
  H     -13.078715     -1.488537     10.430405
  H     -10.818235     -0.562816      9.931262
  H     -10.234997      0.120330      7.617977
  H      -9.169538      0.433210      4.686886
  H      -7.560327     -1.172246      3.702666
  H      -4.509461     -6.643798      6.468026
  H      -2.879428     -7.128009      7.002619
  H      -3.878175     -6.100936      8.042572
  H      -3.842442     -4.258981      6.467611
  H      -1.690405     -3.405795      6.699473
  H      -2.068927     -4.373637      8.136554
  H      -0.945612     -6.752401      8.306428
  H       1.136539     -8.004299      7.871160
  H       3.610352     -7.029221      5.199184
  H       2.954847     -8.449870      6.033737
  H       4.026207     -9.208947      7.990133
  H       5.623590     -8.863190      9.861080
  H       6.678898     -6.632481     10.206131
  H       6.122543     -4.752191      8.666274
  H       4.512156     -5.098579      6.809525
  H       2.348442     -5.027612      5.016122
  H       0.252454     -3.770431      5.442346
  N      -4.268349     -2.599392      4.538354
  N      -4.332816     -1.496158      5.074391
  H      -5.229451     -1.338291      5.579114
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041732062156
  N      -3.257496     -3.509314      1.921435
  C      -2.865085     -4.418733      0.846058
  C      -2.579474     -5.784740      1.430380
  N      -3.576191     -6.091948      2.489320
  C      -4.894280     -6.489008      1.924118
  C      -5.988124     -6.230305      2.947152
  N      -5.792350     -4.913283      3.564000
  Mo     -3.983911     -4.171157      3.624012
  N      -2.851121     -5.161598      4.894515
  C      -2.119733     -6.342818      4.421859
  C      -3.030222     -7.086308      3.452651
  H      -1.830140     -6.999865      5.251388
  H      -1.181409     -6.035929      3.933712
  H      -3.872456     -7.519823      4.007981
  H      -2.507440     -7.896060      2.916537
  H      -6.964524     -6.287218      2.439251
  H      -5.990533     -7.018906      3.721639
  H      -5.069283     -5.863153      1.038496
  H      -4.876041     -7.544247      1.604065
  H      -1.953831     -4.049994      0.349132
  H      -3.653779     -4.462162      0.073517
  H      -1.590520     -5.766247      1.906418
  H      -2.580508     -6.572577      0.659224
  C      -3.440415     -1.746673      0.124318
  C      -3.193490     -2.064816      1.597953
  C      -1.856159     -1.464053      2.132638
  C      -0.629534     -2.241513      1.744094
  C      -0.209464     -3.321582      2.538327
  C       0.885676     -4.099758      2.179526
  C       1.622198     -3.814449      1.019071
  C       2.822001     -4.654103      0.643777
  C       3.796280     -4.901878      1.778092
  C       4.183712     -3.862186      2.636796
  C       5.095815     -4.088925      3.668743
  C       5.643041     -5.361041      3.858576
  C       5.265810     -6.403322      3.009343
  C       4.346450     -6.173263      1.982647
  C       1.219617     -2.726287      0.236778
  C       0.107426     -1.954592      0.589113
  C      -7.685808     -5.229111      5.162913
  C      -6.995150     -4.303692      4.162243
  C      -7.960551     -3.782245      3.069334
  C      -8.963736     -2.808028      3.628887
  C     -10.286077     -3.184884      3.901875
  C     -11.187632     -2.282191      4.462968
  C     -10.799903     -0.969715      4.767274
  C     -11.779384     -0.003403      5.399310
  C     -12.152989     -0.406216      6.810699
  C     -13.422280     -0.919628      7.103129
  C     -13.752181     -1.316463      8.401989
  C     -12.813114     -1.202313      9.428361
  C     -11.543329     -0.688422      9.147930
  C     -11.217506     -0.296316      7.849593
  C      -9.481049     -0.590239      4.489919
  C      -8.577304     -1.495341      3.931050
  C      -3.619256     -6.290492      6.994850
  C      -3.071552     -5.018260      6.345224
  C      -1.819065     -4.424183      7.061302
  C      -0.530747     -5.176703      6.871475
  C      -0.250221     -6.363784      7.568405
  C       0.924159     -7.075336      7.328482
  C       1.865003     -6.623704      6.391019
  C       3.152753     -7.380453      6.152819
  C       4.153262     -7.175997      7.272409
  C       4.490353     -8.221824      8.139414
  C       5.400611     -8.022807      9.181365
  C       5.986758     -6.770265      9.368513
  C       5.657354     -5.718266      8.507970
  C       4.747100     -5.920564      7.470961
  C       1.602870     -5.422554      5.721310
  C       0.426753     -4.711617      5.960212
  H      -4.382655     -2.189927     -0.226995
  H      -2.626114     -2.093770     -0.526015
  H      -3.518177     -0.657203      0.008346
  H      -3.992434     -1.575319      2.174135
  H      -1.793306     -0.425520      1.773546
  H      -1.929710     -1.427740      3.229699
  H      -0.756407     -3.545682      3.456073
  H       1.198552     -4.925755      2.822334
  H       3.350235     -4.163925     -0.190895
  H       2.480931     -5.628379      0.255603
  H       3.760356     -2.865178      2.496253
  H       5.385186     -3.266481      4.325807
  H       6.350301     -5.541508      4.669438
  H       5.683823     -7.401948      3.149164
  H       4.056213     -6.994016      1.322345
  H       1.790941     -2.469623     -0.658499
  H      -0.178508     -1.105029     -0.035702
  H      -6.974985     -5.577926      5.925633
  H      -8.496343     -4.686944      5.668501
  H      -8.131631     -6.106328      4.671685
  H      -6.639090     -3.421785      4.712334
  H      -7.350589     -3.287900      2.296848
  H      -8.481237     -4.627111      2.592789
  H     -10.613698     -4.201255      3.669480
  H     -12.211409     -2.600551      4.673149
  H     -11.334981      1.003689      5.404886
  H     -12.692020      0.051269      4.785947
  H     -14.162957     -1.002612      6.304019
  H     -14.748005     -1.710870      8.612189
  H     -13.069797     -1.506917     10.444249
  H     -10.805839     -0.588844      9.946655
  H     -10.222681      0.102540      7.635539
  H      -9.160640      0.431866      4.706100
  H      -7.555436     -1.170982      3.711768
  H      -4.522223     -6.627141      6.465640
  H      -2.894050     -7.114428      7.003875
  H      -3.890721     -6.080002      8.038297
  H      -3.848426     -4.244917      6.456306
  H      -1.693996     -3.395635      6.692188
  H      -2.077503     -4.359458      8.130592
  H      -0.954911     -6.732986      8.316903
  H       1.123533     -7.992881      7.887410
  H       3.591958     -7.044058      5.201476
  H       2.938716     -8.455526      6.053689
  H       4.039007     -9.206197      7.992337
  H       5.653668     -8.850436      9.846519
  H       6.698736     -6.612803     10.180282
  H       6.113729     -4.736326      8.646595
  H       4.487655     -5.093542      6.805963
  H       2.338997     -5.036422      5.011941
  H       0.247931     -3.771689      5.433482
  N      -4.276045     -2.594297      4.520751
  N      -4.346852     -1.488912      5.050763
  H      -5.242192     -1.332218      5.557772
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041819831702
  N      -3.259100     -3.518855      1.897094
  C      -2.859392     -4.435700      0.830697
  C      -2.576205     -5.797897      1.425790
  N      -3.576167     -6.097726      2.483356
  C      -4.892001     -6.497029      1.916259
  C      -5.989970     -6.234800      2.933795
  N      -5.794468     -4.917965      3.550790
  Mo     -3.988033     -4.169296      3.603535
  N      -2.855918     -5.147723      4.883342
  C      -2.124605     -6.332264      4.419899
  C      -3.034525     -7.084342      3.456883
  H      -1.832141     -6.981470      5.254383
  H      -1.188441     -6.027645      3.926344
  H      -3.878802     -7.510306      4.014820
  H      -2.511434     -7.899644      2.929518
  H      -6.963539     -6.289333      2.419670
  H      -5.999294     -7.022248      3.709300
  H      -5.063933     -5.874522      1.027715
  H      -4.873118     -7.553593      1.600405
  H      -1.944802     -4.070349      0.337429
  H      -3.643296     -4.483508      0.053606
  H      -1.588413     -5.775723      1.904213
  H      -2.574996     -6.591500      0.660545
  C      -3.420725     -1.766876      0.087061
  C      -3.190539     -2.076442      1.565379
  C      -1.858046     -1.472257      2.107619
  C      -0.625794     -2.245592      1.727758
  C      -0.208953     -3.325565      2.522894
  C       0.892084     -4.100529      2.172629
  C       1.639839     -3.809306      1.022512
  C       2.848582     -4.642439      0.660226
  C       3.792823     -4.914165      1.815022
  C       4.155397     -3.894480      2.707973
  C       5.046639     -4.142483      3.752957
  C       5.595999     -5.416323      3.923375
  C       5.239867     -6.439986      3.043494
  C       4.342720     -6.188962      2.001809
  C       1.241315     -2.719819      0.238872
  C       0.122178     -1.953693      0.579968
  C      -7.689957     -5.248060      5.144730
  C      -6.996714     -4.313156      4.154596
  C      -7.961595     -3.778929      3.066539
  C      -8.959667     -2.805134      3.635563
  C     -10.282131     -3.179664      3.910536
  C     -11.179937     -2.277801      4.479060
  C     -10.788265     -0.968113      4.789376
  C     -11.763707     -0.001788      5.427425
  C     -12.138946     -0.410827      6.836906
  C     -13.415022     -0.906717      7.129236
  C     -13.747324     -1.307633      8.426343
  C     -12.803858     -1.215227      9.450683
  C     -11.526940     -0.719077      9.170256
  C     -11.198757     -0.322935      7.873878
  C      -9.469000     -0.590649      4.510195
  C      -8.569014     -1.494836      3.943575
  C      -3.627180     -6.263380      6.990467
  C      -3.079591     -4.995016      6.332561
  C      -1.827600     -4.397634      7.048292
  C      -0.537640     -5.148750      6.861839
  C      -0.255150     -6.331826      7.564656
  C       0.918954     -7.044314      7.326611
  C       1.857632     -6.597708      6.384562
  C       3.143855     -7.356968      6.146818
  C       4.148689     -7.155936      7.263316
  C       4.542195     -8.222027      8.080295
  C       5.463032     -8.029822      9.114436
  C       6.003543     -6.763729      9.343201
  C       5.616733     -5.691425      8.532933
  C       4.695839     -5.886947      7.504110
  C       1.594645     -5.399279      5.709740
  C       0.418446     -4.686997      5.947970
  H      -4.358909     -2.211741     -0.272957
  H      -2.598702     -2.117650     -0.551550
  H      -3.496586     -0.678088     -0.036127
  H      -3.995724     -1.583061      2.129640
  H      -1.795745     -0.434319      1.746637
  H      -1.938065     -1.434435      3.204117
  H      -0.761481     -3.552208      3.436822
  H       1.198359     -4.926343      2.818407
  H       3.397054     -4.137618     -0.152296
  H       2.518244     -5.609552      0.245211
  H       3.730890     -2.895740      2.583661
  H       5.317447     -3.335263      4.436288
  H       6.287949     -5.612326      4.743742
  H       5.656532     -7.440977      3.171093
  H       4.062068     -6.996727      1.321563
  H       1.822050     -2.458016     -0.648845
  H      -0.159923     -1.104614     -0.047189
  H      -6.980483     -5.606322      5.904382
  H      -8.499986     -4.710040      5.655401
  H      -8.136225     -6.119151      4.643326
  H      -6.640891     -3.437188      4.714047
  H      -7.350254     -3.281075      2.297430
  H      -8.486189     -4.618031      2.584053
  H     -10.613129     -4.193731      3.672887
  H     -12.203941     -2.595347      4.689551
  H     -11.315573      1.003633      5.438705
  H     -12.676687      0.059764      4.815305
  H     -14.158964     -0.972884      6.331577
  H     -14.748381     -1.688501      8.636696
  H     -13.062426     -1.523312     10.465050
  H     -10.785906     -0.636636      9.967664
  H     -10.198634      0.061959      7.659126
  H      -9.145717      0.429792      4.730029
  H      -7.547827     -1.170262      3.721350
  H      -4.531522     -6.602590      6.465396
  H      -2.902280     -7.087400      7.005168
  H      -3.897234     -6.044878      8.032741
  H      -3.856706     -4.221554      6.437775
  H      -1.702555     -3.369285      6.678695
  H      -2.085760     -4.332243      8.117665
  H      -0.959490     -6.697142      8.315353
  H       1.119466     -7.958631      7.890421
  H       3.581703     -7.021942      5.193717
  H       2.928793     -8.431895      6.048845
  H       4.124561     -9.215970      7.901396
  H       5.759164     -8.873115      9.741023
  H       6.723880     -6.611055     10.148480
  H       6.036707     -4.698500      8.704798
  H       4.393834     -5.044933      6.877402
  H       2.328867     -5.016272      4.996609
  H       0.242101     -3.748636      5.417805
  N      -4.294535     -2.587174      4.486433
  N      -4.384965     -1.480206      5.008392
  H      -5.281090     -1.332297      5.516495
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041856476510
  N      -3.259873     -3.529527      1.879937
  C      -2.856647     -4.451762      0.819658
  C      -2.574266     -5.810556      1.423187
  N      -3.575772     -6.104587      2.480734
  C      -4.891089     -6.504931      1.913970
  C      -5.990304     -6.240547      2.929595
  N      -5.793789     -4.923850      3.546157
  Mo     -3.988798     -4.170812      3.589931
  N      -2.855641     -5.140070      4.875385
  C      -2.126086     -6.328565      4.419330
  C      -3.036983     -7.085604      3.461268
  H      -1.833722     -6.972726      5.257736
  H      -1.189964     -6.028090      3.923171
  H      -3.882636     -7.505075      4.022007
  H      -2.515425     -7.906024      2.940318
  H      -6.962666     -6.293356      2.412787
  H      -6.003309     -7.027533      3.705442
  H      -5.062160     -5.884162      1.024036
  H      -4.872571     -7.562155      1.600193
  H      -1.940996     -4.088659      0.326645
  H      -3.638247     -4.504222      0.040585
  H      -1.586903     -5.785526      1.902319
  H      -2.571872     -6.608465      0.662381
  C      -3.418574     -1.788359      0.058712
  C      -3.195566     -2.088773      1.540068
  C      -1.868428     -1.476095      2.084878
  C      -0.630711     -2.245052      1.713650
  C      -0.209675     -3.318668      2.514972
  C       0.899011     -4.087143      2.172731
  C       1.648778     -3.796502      1.024226
  C       2.866435     -4.621848      0.673074
  C       3.803298     -4.879537      1.836935
  C       4.169017     -3.846303      2.712710
  C       5.054916     -4.081466      3.765107
  C       5.594555     -5.355915      3.960849
  C       5.233459     -6.393462      3.099575
  C       4.342010     -6.155157      2.049767
  C       1.245140     -2.713830      0.233593
  C       0.119895     -1.953708      0.567034
  C      -7.687010     -5.257698      5.142307
  C      -6.994993     -4.320531      4.153246
  C      -7.962297     -3.785482      3.067364
  C      -8.957776     -2.810541      3.638931
  C     -10.277966     -3.185824      3.923745
  C     -11.173575     -2.283257      4.494759
  C     -10.782014     -0.971858      4.797636
  C     -11.755000     -0.004228      5.437297
  C     -12.125090     -0.409323      6.849338
  C     -13.401984     -0.898760      7.148804
  C     -13.729930     -1.295234      8.448469
  C     -12.781255     -1.204682      9.468141
  C     -11.503304     -0.715148      9.180492
  C     -11.179485     -0.323536      7.881664
  C      -9.465024     -0.593488      4.508487
  C      -8.567196     -1.498401      3.939500
  C      -3.636975     -6.245003      6.984404
  C      -3.083230     -4.980903      6.323477
  C      -1.830954     -4.386988      7.041584
  C      -0.544642     -5.145834      6.861190
  C      -0.270835     -6.328318      7.568474
  C       0.897954     -7.050293      7.333188
  C       1.839641     -6.614576      6.389015
  C       3.118933     -7.385602      6.152918
  C       4.132002     -7.184298      7.262172
  C       4.543532     -8.254321      8.065095
  C       5.474546     -8.063780      9.090427
  C       6.007054     -6.795214      9.324720
  C       5.602086     -5.719070      8.528576
  C       4.671174     -5.912925      7.508360
  C       1.585851     -5.416446      5.709958
  C       0.415007     -4.694180      5.946274
  H      -4.353066     -2.238324     -0.304661
  H      -2.591380     -2.139494     -0.573002
  H      -3.497537     -0.700503     -0.070780
  H      -4.005861     -1.595623      2.097091
  H      -1.809295     -0.439586      1.719253
  H      -1.953044     -1.433566      3.180935
  H      -0.763398     -3.545455      3.428164
  H       1.207718     -4.907450      2.824400
  H       3.416367     -4.117390     -0.138469
  H       2.546778     -5.594091      0.261820
  H       3.751390     -2.847125      2.569452
  H       5.328998     -3.263888      4.434675
  H       6.283530     -5.540860      4.786271
  H       5.642772     -7.394754      3.247225
  H       4.057122     -6.973144      1.383551
  H       1.827193     -2.452558     -0.653459
  H      -0.165502     -1.109996     -0.065868
  H      -6.977289     -5.616438      5.901590
  H      -8.497474     -4.721190      5.653863
  H      -8.132231     -6.128442      4.639461
  H      -6.639378     -3.445655      4.714452
  H      -7.352653     -3.288775      2.296220
  H      -8.489110     -4.624516      2.587158
  H     -10.608982     -4.201166      3.691539
  H     -12.195727     -2.601926      4.712556
  H     -11.307249      1.001431      5.444175
  H     -12.670513      0.055473      4.828740
  H     -14.149951     -0.963644      6.354783
  H     -14.731674     -1.671173      8.664461
  H     -13.036442     -1.509282     10.484435
  H     -10.758131     -0.634440      9.974242
  H     -10.178603      0.056105      7.661009
  H      -9.142133      0.428368      4.722329
  H      -7.548350     -1.172460      3.708642
  H      -4.542060     -6.582372      6.459323
  H      -2.915275     -7.071742      7.003361
  H      -3.907958     -6.021642      8.025454
  H      -3.857577     -4.204068      6.423380
  H      -1.699171     -3.360273      6.669717
  H      -2.091605     -4.317601      8.110098
  H      -0.978343     -6.685643      8.320093
  H       1.091390     -7.963972      7.900519
  H       3.554963     -7.062061      5.194970
  H       2.895421     -8.459677      6.064884
  H       4.131499     -9.249917      7.882325
  H       5.784512     -8.910214      9.706025
  H       6.735046     -6.643552     10.123289
  H       6.015128     -4.724042      8.705135
  H       4.355328     -5.067712      6.892799
  H       2.322218     -5.041877      4.994447
  H       0.246661     -3.756271      5.412640
  N      -4.302016     -2.584167      4.462281
  N      -4.402378     -1.474352      4.975588
  H      -5.300213     -1.329328      5.481795
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041889947279
  N      -3.266226     -3.537195      1.870763
  C      -2.859558     -4.461510      0.813867
  C      -2.575209     -5.818042      1.421766
  N      -3.575910     -6.110438      2.480442
  C      -4.891178     -6.513695      1.915958
  C      -5.989935     -6.249870      2.932354
  N      -5.793309     -4.933302      3.548788
  Mo     -3.990328     -4.174718      3.583975
  N      -2.851983     -5.136390      4.870397
  C      -2.122915     -6.326421      4.417329
  C      -3.035561     -7.087302      3.464149
  H      -1.828291     -6.967313      5.257502
  H      -1.187650     -6.027697      3.918409
  H      -3.880484     -7.503749      4.028221
  H      -2.515110     -7.910412      2.946286
  H      -6.962311     -6.302580      2.415583
  H      -6.003088     -7.037017      3.708006
  H      -5.064527     -5.894365      1.025432
  H      -4.871429     -7.571256      1.603286
  H      -1.944358     -4.097717      0.320457
  H      -3.639976     -4.518509      0.033853
  H      -1.587683     -5.790484      1.900275
  H      -2.571940     -6.618248      0.663331
  C      -3.426651     -1.802015      0.043516
  C      -3.208417     -2.097204      1.526771
  C      -1.886933     -1.476919      2.075653
  C      -0.643721     -2.239299      1.709899
  C      -0.220290     -3.311427      2.511845
  C       0.895848     -4.071549      2.174676
  C       1.649847     -3.774424      1.030374
  C       2.873603     -4.592400      0.682761
  C       3.800331     -4.862639      1.851366
  C       4.161963     -3.838059      2.738898
  C       5.039066     -4.085082      3.796007
  C       5.574181     -5.362640      3.984292
  C       5.217520     -6.391416      3.110660
  C       4.334245     -6.141452      2.056540
  C       1.242677     -2.693778      0.238844
  C       0.110892     -1.941741      0.567613
  C      -7.687846     -5.267583      5.144199
  C      -6.994251     -4.330167      4.156254
  C      -7.960573     -3.793973      3.069837
  C      -8.953472     -2.815752      3.640065
  C     -10.273113     -3.188663      3.930827
  C     -11.165990     -2.282955      4.501186
  C     -10.772107     -0.970719      4.797583
  C     -11.742363      0.000362      5.435814
  C     -12.115821     -0.402027      6.847700
  C     -13.397374     -0.879070      7.147280
  C     -13.729037     -1.272399      8.446988
  C     -12.779426     -1.191062      9.466568
  C     -11.496722     -0.714108      9.178747
  C     -11.169256     -0.325617      7.879916
  C      -9.455702     -0.594852      4.502658
  C      -8.560713     -1.502825      3.934154
  C      -3.631166     -6.233999      6.983882
  C      -3.077489     -4.972505      6.318188
  C      -1.824448     -4.376951      7.033420
  C      -0.539943     -5.139916      6.857469
  C      -0.268790     -6.318273      7.572905
  C       0.897773     -7.044993      7.341642
  C       1.839479     -6.618905      6.393031
  C       3.114498     -7.397035      6.160165
  C       4.133008     -7.195373      7.264652
  C       4.579887     -8.273314      8.037502
  C       5.519522     -8.084328      9.055274
  C       6.024754     -6.809158      9.312719
  C       5.584169     -5.724936      8.547020
  C       4.645040     -5.917312      7.534100
  C       1.588535     -5.424946      5.705667
  C       0.420159     -4.697450      5.938428
  H      -4.356881     -2.258010     -0.323194
  H      -2.594445     -2.149995     -0.583283
  H      -3.511145     -0.714942     -0.089178
  H      -4.023435     -1.606598      2.079098
  H      -1.831871     -0.440340      1.709580
  H      -1.975718     -1.434029      3.171465
  H      -0.777475     -3.544213      3.421414
  H       1.206887     -4.890318      2.827220
  H       3.430452     -4.077581     -0.117516
  H       2.560305     -5.560164      0.256212
  H       3.747187     -2.836815      2.602125
  H       5.309729     -3.274446      4.475358
  H       6.256340     -5.556514      4.813344
  H       5.624689     -7.394482      3.251374
  H       4.054746     -6.952016      1.378819
  H       1.827349     -2.427673     -0.645090
  H      -0.176665     -1.098988     -0.065608
  H      -6.979362     -5.627537      5.904106
  H      -8.498147     -4.730546      5.655431
  H      -8.133544     -6.137497      4.640372
  H      -6.638927     -3.456304      4.719146
  H      -7.349783     -3.299876      2.297973
  H      -8.489336     -4.632525      2.590955
  H     -10.605908     -4.204552      3.703578
  H     -12.187689     -2.599913      4.723541
  H     -11.291734      1.004768      5.442069
  H     -12.657123      0.062435      4.826249
  H     -14.145982     -0.936939      6.353308
  H     -14.734354     -1.638659      8.663053
  H     -13.037432     -1.493217     10.482886
  H     -10.750674     -0.640958      9.972418
  H     -10.164658      0.044050      7.659031
  H      -9.131107      0.427424      4.711858
  H      -7.542450     -1.178664      3.698288
  H      -4.537224     -6.572680      6.461261
  H      -2.909751     -7.060917      7.004571
  H      -3.900608     -6.007131      8.024576
  H      -3.851034     -4.194470      6.415816
  H      -1.690475     -3.352422      6.656293
  H      -2.085491     -4.301479      8.101416
  H      -0.976489     -6.667791      8.328007
  H       1.089480     -7.954923      7.915565
  H       3.550110     -7.082062      5.199187
  H       2.885807     -8.470619      6.078932
  H       4.188788     -9.273895      7.836793
  H       5.857096     -8.937122      9.647135
  H       6.758676     -6.658437     10.106028
  H       5.974811     -4.724440      8.742554
  H       4.300123     -5.065485      6.943622
  H       2.325133     -5.057814      4.986347
  H       0.253935     -3.763116      5.397823
  N      -4.310650     -2.586745      4.451321
  N      -4.423263     -1.477210      4.962527
  H      -5.323686     -1.340922      5.466881
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041924663986
  N      -3.269699     -3.543662      1.864392
  C      -2.859937     -4.469979      0.810682
  C      -2.576650     -5.825312      1.421768
  N      -3.578325     -6.115581      2.479787
  C      -4.893128     -6.519817      1.915629
  C      -5.992279     -6.256845      2.931890
  N      -5.795060     -4.941445      3.550310
  Mo     -3.993367     -4.177931      3.578852
  N      -2.851925     -5.133323      4.866539
  C      -2.124343     -6.325512      4.416406
  C      -3.038520     -7.088979      3.467099
  H      -1.828551     -6.963788      5.258289
  H      -1.189140     -6.029467      3.915742
  H      -3.883907     -7.502383      4.032732
  H      -2.518825     -7.915031      2.953016
  H      -6.964073     -6.307894      2.413911
  H      -6.007242     -7.045279      3.706179
  H      -5.067508     -5.900526      1.025237
  H      -4.872698     -7.577292      1.602531
  H      -1.944649     -4.106101      0.317546
  H      -3.638854     -4.530170      0.029235
  H      -1.589548     -5.798093      1.900872
  H      -2.572973     -6.626781      0.664598
  C      -3.430608     -1.814330      0.031516
  C      -3.216217     -2.104598      1.516434
  C      -1.899006     -1.479000      2.068926
  C      -0.650732     -2.235944      1.709650
  C      -0.224669     -3.305297      2.513596
  C       0.899168     -4.056654      2.182138
  C       1.656926     -3.754474      1.041118
  C       2.885162     -4.567381      0.696452
  C       3.799485     -4.856900      1.869338
  C       4.175141     -3.839214      2.759110
  C       5.040240     -4.103382      3.821926
  C       5.548720     -5.391425      4.013539
  C       5.179159     -6.412732      3.136530
  C       4.307682     -6.145550      2.076518
  C       1.245855     -2.677011      0.247418
  C       0.107599     -1.933116      0.571405
  C      -7.696401     -5.279345      5.137732
  C      -6.996163     -4.338837      4.157229
  C      -7.956372     -3.793402      3.069428
  C      -8.946578     -2.812487      3.639065
  C     -10.265252     -3.183828      3.936885
  C     -11.154995     -2.276141      4.508846
  C     -10.758831     -0.963408      4.800450
  C     -11.726446      0.009399      5.439574
  C     -12.108695     -0.396439      6.848079
  C     -13.397980     -0.855895      7.141896
  C     -13.738765     -1.251605      8.438542
  C     -12.790577     -1.190397      9.460819
  C     -11.500069     -0.731313      9.178725
  C     -11.163623     -0.340374      7.882979
  C      -9.443518     -0.589279      4.498796
  C      -8.551775     -1.499140      3.928137
  C      -3.629548     -6.224179      6.983822
  C      -3.076315     -4.965099      6.313680
  C      -1.823753     -4.366523      7.027043
  C      -0.540694     -5.133251      6.856677
  C      -0.271311     -6.305324      7.583411
  C       0.893300     -7.036683      7.357333
  C       1.834274     -6.622315      6.402737
  C       3.104223     -7.408423      6.174418
  C       4.135973     -7.197447      7.265412
  C       4.647652     -8.280378      7.989686
  C       5.606812     -8.085825      8.987935
  C       6.066467     -6.799864      9.275227
  C       5.560390     -5.710528      8.559086
  C       4.602260     -5.908520      7.565161
  C       1.585344     -5.434648      5.704004
  C       0.419222     -4.702101      5.931807
  H      -4.357835     -2.274495     -0.337440
  H      -2.594901     -2.160888     -0.591341
  H      -3.518502     -0.727920     -0.104499
  H      -4.034502     -1.614927      2.064759
  H      -1.846092     -0.442491      1.702294
  H      -1.992246     -1.435376      3.164424
  H      -0.784962     -3.544590      3.419543
  H       1.214257     -4.872829      2.835994
  H       3.451455     -4.041777     -0.090199
  H       2.575466     -5.527737      0.250692
  H       3.779649     -2.830465      2.620484
  H       5.322248     -3.298657      4.503667
  H       6.221279     -5.598434      4.847263
  H       5.567869     -7.422750      3.278852
  H       4.020788     -6.949353      1.393624
  H       1.832425     -2.407437     -0.634246
  H      -0.182496     -1.091785     -0.062597
  H      -6.992574     -5.644340      5.899597
  H      -8.507574     -4.742513      5.647717
  H      -8.141728     -6.145925      4.627928
  H      -6.641467     -3.469477      4.727353
  H      -7.339383     -3.299100      2.302717
  H      -8.486669     -4.627610      2.584737
  H     -10.599993     -4.199915      3.713416
  H     -12.175775     -2.592351      4.736339
  H     -11.271648      1.011909      5.451435
  H     -12.638620      0.078157      4.826678
  H     -14.145458     -0.898447      6.345887
  H     -14.749986     -1.604017      8.650028
  H     -13.055539     -1.494494     10.474760
  H     -10.754964     -0.674384      9.974604
  H     -10.152945      0.015024      7.666439
  H      -9.117251      0.433047      4.705088
  H      -7.534297     -1.176468      3.686906
  H      -4.536127     -6.564830      6.463352
  H      -2.907654     -7.050609      7.006430
  H      -3.897992     -5.994075      8.024060
  H      -3.849673     -4.186239      6.407787
  H      -1.687854     -3.344192      6.644682
  H      -2.086655     -4.284844      8.094103
  H      -0.978513     -6.644743      8.343504
  H       1.084192     -7.941139      7.940080
  H       3.534550     -7.110666      5.205338
  H       2.870447     -8.482142      6.110394
  H       4.291931     -9.289251      7.765963
  H       5.994697     -8.942734      9.541803
  H       6.814573     -6.644701     10.054302
  H       5.913591     -4.701271      8.779154
  H       4.204972     -5.052500      7.014982
  H       2.321628     -5.076082      4.979964
  H       0.254038     -3.772844      5.382184
  N      -4.322760     -2.589300      4.441672
  N      -4.453163     -1.481867      4.953021
  H      -5.359674     -1.357743      5.449884
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041941132011
  N      -3.272865     -3.550359      1.866470
  C      -2.860358     -4.478866      0.815984
  C      -2.575117     -5.831899      1.431042
  N      -3.576748     -6.120728      2.489560
  C      -4.891005     -6.528295      1.926872
  C      -5.989715     -6.265804      2.943708
  N      -5.793673     -4.949519      3.560439
  Mo     -3.993524     -4.181376      3.583176
  N      -2.847791     -5.129526      4.872187
  C      -2.120848     -6.323467      4.425412
  C      -3.035762     -7.090323      3.479939
  H      -1.824352     -6.958877      5.269359
  H      -1.185653     -6.029569      3.923537
  H      -3.880611     -7.501837      4.047758
  H      -2.516426     -7.918437      2.968748
  H      -6.961775     -6.318806      2.426405
  H      -6.003208     -7.053501      3.718775
  H      -5.067458     -5.910549      1.035785
  H      -4.868706     -7.586134      1.615095
  H      -1.945788     -4.114435      0.321882
  H      -3.638600     -4.543644      0.034181
  H      -1.588179     -5.802631      1.910395
  H      -2.570090     -6.635264      0.675882
  C      -3.443603     -1.829343      0.026752
  C      -3.227422     -2.112426      1.512760
  C      -1.914061     -1.477775      2.063721
  C      -0.661162     -2.228443      1.707211
  C      -0.228485     -3.292908      2.514116
  C       0.902254     -4.035304      2.186371
  C       1.659972     -3.729351      1.045940
  C       2.894823     -4.533458      0.703859
  C       3.797081     -4.839483      1.881437
  C       4.165733     -3.832274      2.786214
  C       5.019648     -4.109760      3.854602
  C       5.524624     -5.400705      4.036298
  C       5.163056     -6.411208      3.143562
  C       4.301751     -6.130867      2.078475
  C       1.241151     -2.657669      0.248618
  C       0.096336     -1.922423      0.569440
  C      -7.700174     -5.285763      5.141995
  C      -6.995686     -4.345839      4.164046
  C      -7.951184     -3.798046      3.073225
  C      -8.940172     -2.813861      3.639006
  C     -10.258780     -3.182957      3.940450
  C     -11.146986     -2.271997      4.509474
  C     -10.749429     -0.958067      4.794317
  C     -11.716302      0.018599      5.428612
  C     -12.110009     -0.386210      6.834149
  C     -13.405336     -0.833466      7.120217
  C     -13.757153     -1.227716      8.414376
  C     -12.814037     -1.177312      9.441946
  C     -11.517522     -0.730552      9.167595
  C     -11.170129     -0.341026      7.874303
  C      -9.434294     -0.586349      4.489287
  C      -8.544003     -1.499563      3.921588
  C      -3.624558     -6.212308      6.993206
  C      -3.069580     -4.956293      6.319109
  C      -1.814471     -4.359099      7.028772
  C      -0.535336     -5.132730      6.861006
  C      -0.270005     -6.301039      7.595379
  C       0.890175     -7.040009      7.371012
  C       1.830442     -6.637369      6.410667
  C       3.093844     -7.432975      6.182767
  C       4.140102     -7.215596      7.258948
  C       4.700388     -8.299941      7.944252
  C       5.679319     -8.101427      8.922253
  C       6.110482     -6.809946      9.228515
  C       5.555207     -5.719197      8.552255
  C       4.577591     -5.921278      7.578236
  C       1.585567     -5.453425      5.704170
  C       0.424112     -4.713200      5.930209
  H      -4.367992     -2.296641     -0.340343
  H      -2.605781     -2.173252     -0.594767
  H      -3.538198     -0.744022     -0.113509
  H      -4.048383     -1.624957      2.059072
  H      -1.866540     -0.441854      1.694669
  H      -2.008205     -1.431679      3.159051
  H      -0.788389     -3.535926      3.419327
  H       1.224535     -4.847068      2.842163
  H       3.468649     -3.993537     -0.067623
  H       2.592530     -5.486741      0.238044
  H       3.773533     -2.821327      2.654317
  H       5.296503     -3.313433      4.548220
  H       6.188053     -5.618189      4.874641
  H       5.549890     -7.423055      3.277812
  H       4.021988     -6.926110      1.382752
  H       1.827076     -2.385166     -0.632578
  H      -0.199128     -1.084037     -0.066029
  H      -6.999606     -5.651062      5.906715
  H      -8.512724     -4.747990      5.648839
  H      -8.144285     -6.152158      4.630828
  H      -6.642073     -3.477478      4.736377
  H      -7.329897     -3.305633      2.308782
  H      -8.481885     -4.631090      2.586946
  H     -10.594749     -4.199728      3.721960
  H     -12.167676     -2.586458      4.739789
  H     -11.257060      1.019081      5.443989
  H     -12.624161      0.092345      4.809805
  H     -14.148864     -0.867688      6.320093
  H     -14.772932     -1.570539      8.619711
  H     -13.087496     -1.480280     10.453975
  H     -10.776262     -0.682275      9.967637
  H     -10.154742      0.004555      7.663861
  H      -9.107108      0.436673      4.690679
  H      -7.526485     -1.179170      3.677374
  H      -4.532394     -6.552672      6.474727
  H      -2.904047     -7.040023      7.016589
  H      -3.891120     -5.979394      8.033298
  H      -3.840724     -4.175031      6.411842
  H      -1.674692     -3.339233      6.641244
  H      -2.077009     -4.271121      8.095388
  H      -0.977142     -6.631440      8.359516
  H       1.077969     -7.941699      7.959050
  H       3.517164     -7.150600      5.205765
  H       2.853645     -8.506096      6.134208
  H       4.366827     -9.313099      7.706164
  H       6.104394     -8.959542      9.446167
  H       6.873542     -6.651740      9.992341
  H       5.885041     -4.705514      8.787754
  H       4.141670     -5.064242      7.059958
  H       2.321594     -5.104098      4.975343
  H       0.261337     -3.787142      5.374492
  N      -4.328815     -2.591674      4.441231
  N      -4.470307     -1.485144      4.951561
  H      -5.381049     -1.367798      5.442512
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041958166776
  N      -3.270838     -3.549391      1.879405
  C      -2.859038     -4.477949      0.828646
  C      -2.574764     -5.831450      1.442889
  N      -3.577016     -6.120173      2.500919
  C      -4.891164     -6.527293      1.937831
  C      -5.989412     -6.264878      2.955037
  N      -5.793401     -4.948383      3.571410
  Mo     -3.992514     -4.181099      3.595320
  N      -2.846272     -5.129717      4.883376
  C      -2.120717     -6.324312      4.436082
  C      -3.036347     -7.090346      3.490903
  H      -1.824846     -6.960219      5.279852
  H      -1.185227     -6.031294      3.934285
  H      -3.881135     -7.502118      4.058619
  H      -2.517432     -7.918436      2.979220
  H      -6.961851     -6.318527      2.438506
  H      -6.001941     -7.052453      3.730270
  H      -5.067534     -5.908944      1.047140
  H      -4.868848     -7.584962      1.625507
  H      -1.944428     -4.113845      0.334362
  H      -3.637588     -4.542180      0.047112
  H      -1.588102     -5.803697      1.922921
  H      -2.570011     -6.634234      0.687132
  C      -3.450082     -1.830321      0.039062
  C      -3.227269     -2.111748      1.524297
  C      -1.912102     -1.475991      2.069824
  C      -0.659896     -2.227057      1.711191
  C      -0.223523     -3.288368      2.520283
  C       0.907227     -4.030137      2.191647
  C       1.661073     -3.727112      1.047735
  C       2.896495     -4.529886      0.703519
  C       3.796887     -4.840977      1.881067
  C       4.174569     -3.833178      2.781759
  C       5.024786     -4.113690      3.852133
  C       5.517351     -5.408605      4.039944
  C       5.147618     -6.419373      3.150959
  C       4.289944     -6.135774      2.083714
  C       1.238114     -2.659079      0.247683
  C       0.093335     -1.924124      0.569824
  C      -7.706866     -5.282011      5.144561
  C      -6.996372     -4.342534      4.170725
  C      -7.945324     -3.790391      3.076419
  C      -8.935692     -2.805942      3.639112
  C     -10.255333     -3.174636      3.936765
  C     -11.144849     -2.263284      4.502919
  C     -10.747734     -0.949306      4.788540
  C     -11.716925      0.028151      5.418266
  C     -12.126096     -0.381589      6.817851
  C     -13.426106     -0.824406      7.089213
  C     -13.792220     -1.223373      8.377935
  C     -12.858877     -1.182261      9.414792
  C     -11.557810     -0.739955      9.155190
  C     -11.196163     -0.345670      7.867248
  C      -9.431608     -0.578095      4.487587
  C      -8.539901     -1.491774      3.922680
  C      -3.622293     -6.209578      7.006016
  C      -3.065148     -4.955150      6.330703
  C      -1.807119     -4.360897      7.037960
  C      -0.530436     -5.138326      6.869505
  C      -0.267002     -6.305883      7.605618
  C       0.890537     -7.048876      7.380069
  C       1.830065     -6.650764      6.417192
  C       3.090049     -7.450624      6.186920
  C       4.150070     -7.223204      7.247641
  C       4.739893     -8.304092      7.913657
  C       5.735448     -8.098274      8.872983
  C       6.154418     -6.802800      9.179800
  C       5.569589     -5.715682      8.523171
  C       4.575251     -5.925193      7.567650
  C       1.587162     -5.467160      5.709306
  C       0.428560     -4.723132      5.936230
  H      -4.375817     -2.298923     -0.322943
  H      -2.615036     -2.174462     -0.586097
  H      -3.546162     -0.745247     -0.102055
  H      -4.046121     -1.623988      2.073569
  H      -1.865624     -0.440722      1.698820
  H      -2.003322     -1.427856      3.165279
  H      -0.780319     -3.529548      3.427951
  H       1.233887     -4.839096      2.848609
  H       3.471153     -3.985020     -0.063863
  H       2.594741     -5.480372      0.231707
  H       3.792461     -2.819111      2.644083
  H       5.308911     -3.317094      4.542464
  H       6.177394     -5.628825      4.880194
  H       5.525230     -7.434113      3.289964
  H       4.003648     -6.931434      1.391248
  H       1.820823     -2.388753     -0.636287
  H      -0.205261     -1.087924     -0.067074
  H      -7.010336     -5.648643      5.912308
  H      -8.521017     -4.743332      5.647883
  H      -8.149674     -6.147584      4.630919
  H      -6.643242     -3.475631      4.745688
  H      -7.318567     -3.296693      2.317274
  H      -8.474277     -4.621303      2.584561
  H     -10.591145     -4.191262      3.717396
  H     -12.166313     -2.577310      4.730351
  H     -11.253889      1.026718      5.442747
  H     -12.618289      0.108652      4.790833
  H     -14.162039     -0.851392      6.281816
  H     -14.811447     -1.562659      8.571697
  H     -13.143431     -1.488954     10.422631
  H     -10.824131     -0.698886      9.962584
  H     -10.177225     -0.003718      7.668408
  H      -9.104811      0.444919      4.689670
  H      -7.521408     -1.172224      3.681419
  H      -4.531327     -6.548114      6.488466
  H      -2.903639     -7.038953      7.028663
  H      -3.887159     -5.975984      8.046379
  H      -3.834092     -4.171941      6.424607
  H      -1.665093     -3.341891      6.649030
  H      -2.068437     -4.270874      8.104697
  H      -0.973949     -6.633133      8.371261
  H       1.076467     -7.950761      7.968392
  H       3.504041     -7.180635      5.202139
  H       2.847857     -8.523828      6.153099
  H       4.416046     -9.320411      7.675634
  H       6.182801     -8.953719      9.382510
  H       6.930512     -6.639039      9.929189
  H       5.889598     -4.698886      8.758838
  H       4.117442     -5.071043      7.064009
  H       2.322673     -5.121258      4.978486
  H       0.266740     -3.797624      5.379397
  N      -4.327230     -2.591823      4.454249
  N      -4.470519     -1.486697      4.967184
  H      -5.383800     -1.369948      5.453448
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041977870962
  N      -3.264622     -3.541428      1.904698
  C      -2.856636     -4.470409      0.852604
  C      -2.573143     -5.824644      1.465343
  N      -3.574693     -6.112768      2.524544
  C      -4.889585     -6.519179      1.962656
  C      -5.985746     -6.254843      2.981374
  N      -5.788911     -4.936755      3.594424
  Mo     -3.986001     -4.173233      3.620485
  N      -2.838478     -5.124143      4.905792
  C      -2.115584     -6.319781      4.457014
  C      -3.033270     -7.084326      3.512810
  H      -1.820104     -6.956584      5.300214
  H      -1.180356     -6.027884      3.954142
  H      -3.877115     -7.496734      4.081433
  H      -2.515636     -7.911909      2.999020
  H      -6.959654     -6.310630      2.467903
  H      -5.995282     -7.040654      3.758494
  H      -5.066194     -5.901005      1.071886
  H      -4.868198     -7.577051      1.651061
  H      -1.942393     -4.107502      0.356715
  H      -3.637173     -4.532888      0.073006
  H      -1.586084     -5.798974      1.944741
  H      -2.570351     -6.626791      0.708966
  C      -3.459576     -1.824829      0.064427
  C      -3.222161     -2.104310      1.547619
  C      -1.901110     -1.469077      2.080067
  C      -0.653059     -2.224611      1.715661
  C      -0.211084     -3.280100      2.529475
  C       0.915275     -4.026595      2.196899
  C       1.659079     -3.734411      1.043758
  C       2.891265     -4.540152      0.693044
  C       3.791929     -4.858800      1.868243
  C       4.185598     -3.851070      2.762535
  C       5.033759     -4.136573      3.832913
  C       5.508790     -5.437107      4.027494
  C       5.123330     -6.447722      3.145268
  C       4.267759     -6.158774      2.077707
  C       1.230726     -2.672234      0.238618
  C       0.090211     -1.932283      0.564996
  C      -7.712762     -5.262479      5.155743
  C      -6.992889     -4.325713      4.186514
  C      -7.931811     -3.768819      3.086178
  C      -8.927879     -2.787071      3.643449
  C     -10.249987     -3.157595      3.927638
  C     -11.145314     -2.248449      4.487891
  C     -10.751877     -0.934906      4.780754
  C     -11.728695      0.040966      5.401632
  C     -12.169394     -0.382331      6.787381
  C     -13.476291     -0.823900      7.025726
  C     -13.871314     -1.236268      8.301599
  C     -12.960376     -1.210016      9.358631
  C     -11.652723     -0.768983      9.132126
  C     -11.262178     -0.361257      7.856840
  C      -9.433222     -0.561986      4.493787
  C      -8.535562     -1.473550      3.934660
  C      -3.611760     -6.199010      7.031660
  C      -3.050634     -4.947420      6.354096
  C      -1.786176     -4.359871      7.056043
  C      -0.514252     -5.144296      6.884992
  C      -0.255207     -6.312370      7.621397
  C       0.897331     -7.062574      7.392995
  C       1.836242     -6.670901      6.427118
  C       3.090710     -7.477665      6.192356
  C       4.171175     -7.235141      7.229045
  C       4.795764     -8.309903      7.873454
  C       5.813816     -8.093257      8.806107
  C       6.221211     -6.792774      9.108082
  C       5.601705     -5.712066      8.473401
  C       4.584765     -5.932596      7.544258
  C       1.597795     -5.486147      5.719176
  C       0.444535     -4.735111      5.948712
  H      -4.389384     -2.293965     -0.286333
  H      -2.631685     -2.170834     -0.569231
  H      -3.556601     -0.739992     -0.077646
  H      -4.035063     -1.614884      2.104268
  H      -1.855180     -0.435696      1.703803
  H      -1.984318     -1.415602      3.175858
  H      -0.760152     -3.512466      3.444202
  H       1.247570     -4.830849      2.856668
  H       3.465817     -3.991137     -0.071373
  H       2.585982     -5.486763      0.215912
  H       3.817968     -2.832538      2.618142
  H       5.330484     -3.340031      4.517947
  H       6.166709     -5.661805      4.868136
  H       5.487058     -7.466873      3.289712
  H       3.968035     -6.955005      1.391763
  H       1.805852     -2.409834     -0.652638
  H      -0.212930     -1.100664     -0.075736
  H      -7.021960     -5.631056      5.927709
  H      -8.528392     -4.721127      5.653766
  H      -8.154973     -6.126899      4.639724
  H      -6.639586     -3.460005      4.763415
  H      -7.297479     -3.271104      2.335942
  H      -8.455222     -4.597552      2.584710
  H     -10.583107     -4.173807      3.702372
  H     -12.168638     -2.563482      4.705295
  H     -11.260435      1.036372      5.447007
  H     -12.616066      0.134297      4.756279
  H     -14.194699     -0.839279      6.202387
  H     -14.895469     -1.574476      8.469459
  H     -13.267436     -1.527252     10.356546
  H     -10.936440     -0.739359      9.955474
  H     -10.238109     -0.020589      7.684032
  H      -9.109103      0.460731      4.701611
  H      -7.514846     -1.153238      3.704037
  H      -4.523865     -6.533081      6.516596
  H      -2.897311     -7.032110      7.051948
  H      -3.872209     -5.964295      8.072872
  H      -3.814973     -4.160411      6.451667
  H      -1.640059     -3.342222      6.665132
  H      -2.043721     -4.266885      8.123456
  H      -0.962241     -6.635608      8.388640
  H       1.079239     -7.965944      7.980284
  H       3.489622     -7.227008      5.195893
  H       2.845727     -8.550615      6.181568
  H       4.480947     -9.330176      7.640278
  H       6.287470     -8.943973      9.299504
  H       7.014955     -6.620717      9.836830
  H       5.912370     -4.691399      8.704822
  H       4.101979     -5.083252      7.056394
  H       2.332941     -5.145392      4.985732
  H       0.285600     -3.809196      5.391773
  N      -4.315425     -2.584173      4.481729
  N      -4.455021     -1.480863      4.999639
  H      -5.370948     -1.360079      5.479572
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041986456326
  N      -3.262202     -3.535580      1.920051
  C      -2.856727     -4.465259      0.867475
  C      -2.572248     -5.819275      1.480223
  N      -3.571799     -6.106749      2.541740
  C      -4.887623     -6.514036      1.982568
  C      -5.981754     -6.247827      3.002925
  N      -5.784051     -4.928174      3.612497
  Mo     -3.980374     -4.166095      3.637409
  N      -2.829795     -5.116871      4.920304
  C      -2.108262     -6.313015      4.470696
  C      -3.028197     -7.078002      3.529081
  H      -1.811117     -6.949377      5.313609
  H      -1.174361     -6.021388      3.965202
  H      -3.870600     -7.490110      4.100040
  H      -2.511868     -7.905648      3.014108
  H      -6.956891     -6.305364      2.492079
  H      -5.988958     -7.031808      3.781939
  H      -5.065589     -5.897241      1.091107
  H      -4.866696     -7.572433      1.672767
  H      -1.943222     -4.102794      0.369876
  H      -3.638972     -4.527527      0.089633
  H      -1.584239     -5.793639      1.957681
  H      -2.571295     -6.621842      0.724308
  C      -3.467171     -1.820921      0.079462
  C      -3.220808     -2.098927      1.561498
  C      -1.896333     -1.463625      2.085637
  C      -0.650925     -2.221800      1.717816
  C      -0.205650     -3.273930      2.534164
  C       0.917757     -4.023830      2.198880
  C       1.655211     -3.738303      1.040273
  C       2.884740     -4.546649      0.684963
  C       3.785024     -4.872326      1.858359
  C       4.191999     -3.866560      2.748990
  C       5.038747     -4.158378      3.818646
  C       5.499291     -5.463671      4.016392
  C       5.100581     -6.472379      3.138000
  C       4.246370     -6.176974      2.071065
  C       1.223760     -2.679237      0.232466
  C       0.086286     -1.935960      0.561493
  C      -7.714653     -5.246788      5.167118
  C      -6.988243     -4.312989      4.200004
  C      -7.920828     -3.754066      3.095436
  C      -8.921111     -2.774292      3.648564
  C     -10.245009     -3.145940      3.922614
  C     -11.144529     -2.238339      4.478560
  C     -10.753658     -0.925282      4.776962
  C     -11.735744      0.049628      5.391253
  C     -12.201466     -0.384450      6.765317
  C     -13.513855     -0.823192      6.977335
  C     -13.932034     -1.246150      8.242308
  C     -13.039104     -1.233415      9.314792
  C     -11.726199     -0.795224      9.114687
  C     -11.312491     -0.376903      7.850172
  C      -9.433112     -0.551327      4.500443
  C      -8.531242     -1.461369      3.945634
  C      -3.599132     -6.187266      7.049673
  C      -3.035909     -4.938016      6.369268
  C      -1.766725     -4.354469      7.066279
  C      -0.498326     -5.144289      6.894271
  C      -0.242646     -6.311796      7.632496
  C       0.905932     -7.067792      7.403009
  C       1.844146     -6.682652      6.433991
  C       3.093726     -7.495877      6.196949
  C       4.187495     -7.245194      7.217898
  C       4.835757     -8.316869      7.844065
  C       5.867921     -8.094743      8.759623
  C       6.265860     -6.791627      9.063130
  C       5.622718     -5.714152      8.446901
  C       4.591784     -5.940220      7.534557
  C       1.609236     -5.498129      5.724131
  C       0.460205     -4.741121      5.954997
  H      -4.399220     -2.290682     -0.264473
  H      -2.643498     -2.167937     -0.559118
  H      -3.565088     -0.736286     -0.063411
  H      -4.030206     -1.608725      2.122539
  H      -1.851200     -0.431570      1.705653
  H      -1.974208     -1.406512      3.181629
  H      -0.749934     -3.500465      3.453267
  H       1.252485     -4.825532      2.860465
  H       3.459942     -3.995378     -0.077268
  H       2.576551     -5.490287      0.203912
  H       3.835557     -2.844388      2.602107
  H       5.345496     -3.363284      4.500924
  H       6.156091     -5.693384      4.856519
  H       5.453002     -7.495209      3.284634
  H       3.935646     -6.972044      1.388693
  H       1.794240     -2.421634     -0.663168
  H      -0.219330     -1.107082     -0.081592
  H      -7.027527     -5.617543      5.941318
  H      -8.530067     -4.702518      5.662247
  H      -8.158181     -6.109852      4.649997
  H      -6.634274     -3.447801      4.777353
  H      -7.282211     -3.254059      2.350333
  H      -8.440197     -4.582010      2.588450
  H     -10.576091     -4.161855      3.693045
  H     -12.169187     -2.553973      4.688619
  H     -11.263323      1.042147      5.453416
  H     -12.611919      0.153605      4.732357
  H     -14.218132     -0.828047      6.141745
  H     -14.960107     -1.582057      8.389535
  H     -13.364204     -1.558971     10.304273
  H     -11.023850     -0.776145      9.950251
  H     -10.284295     -0.038720      7.698151
  H      -9.110685      0.470972      4.712895
  H      -7.508961     -1.140330      3.723090
  H      -4.514403     -6.517994      6.538043
  H      -2.887932     -7.023168      7.067662
  H      -3.854793     -5.951139      8.091759
  H      -3.796885     -4.148231      6.469488
  H      -1.617611     -3.338312      6.672648
  H      -2.020981     -4.257981      8.134194
  H      -0.949381     -6.630489      8.401887
  H       1.084970     -7.970998      7.991415
  H       3.482830     -7.259624      5.192923
  H       2.845600     -8.568103      6.202179
  H       4.528075     -9.339195      7.610347
  H       6.359802     -8.943182      9.238895
  H       7.070398     -6.615266      9.778885
  H       5.925458     -4.691454      8.679830
  H       4.091300     -5.093036      7.061059
  H       2.343850     -5.162778      4.987662
  H       0.304050     -3.815734      5.396401
  N      -4.307351     -2.576918      4.499244
  N      -4.445306     -1.474837      5.020233
  H      -5.362059     -1.352556      5.498039
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041996475303
  N      -3.261018     -3.529197      1.932053
  C      -2.859276     -4.460828      0.879640
  C      -2.572280     -5.813579      1.494133
  N      -3.567521     -6.098951      2.560537
  C      -4.885380     -6.508246      2.007397
  C      -5.975784     -6.238386      3.030821
  N      -5.776042     -4.916166      3.634329
  Mo     -3.971777     -4.155366      3.653625
  N      -2.815250     -5.103967      4.933185
  C      -2.095621     -6.301253      4.483243
  C      -3.019825     -7.068275      3.547420
  H      -1.794674     -6.935742      5.326190
  H      -1.164427     -6.010352      3.972393
  H      -3.859747     -7.478296      4.123521
  H      -2.506255     -7.897190      3.031790
  H      -6.952867     -6.298235      2.524121
  H      -5.979775     -7.019238      3.813003
  H      -5.066561     -5.894662      1.114349
  H      -4.865514     -7.567772      1.701441
  H      -1.947337     -4.099049      0.378645
  H      -3.644268     -4.524152      0.104728
  H      -1.582254     -5.786673      1.967255
  H      -2.574600     -6.617907      0.740109
  C      -3.479128     -1.819081      0.089226
  C      -3.222457     -2.093412      1.570308
  C      -1.895026     -1.455609      2.084323
  C      -0.651721     -2.216601      1.715712
  C      -0.201454     -3.261717      2.538225
  C       0.919762     -4.015148      2.202411
  C       1.649479     -3.740184      1.036721
  C       2.876236     -4.552142      0.678499
  C       3.774045     -4.885798      1.851259
  C       4.194850     -3.882980      2.738746
  C       5.038144     -4.182765      3.808853
  C       5.481716     -5.493399      4.010303
  C       5.069333     -6.499235      3.135013
  C       4.218183     -6.195810      2.067790
  C       1.213144     -2.687750      0.222624
  C       0.078501     -1.940896      0.552286
  C      -7.712506     -5.224164      5.184439
  C      -6.979537     -4.295284      4.217559
  C      -7.906614     -3.736190      3.108580
  C      -8.912152     -2.759070      3.656863
  C     -10.237274     -3.133121      3.921276
  C     -11.141779     -2.227881      4.472959
  C     -10.754921     -0.914742      4.776062
  C     -11.743109      0.058682      5.383199
  C     -12.239810     -0.389411      6.741680
  C     -13.558473     -0.824231      6.920568
  C     -14.005361     -1.261013      8.170951
  C     -13.135354     -1.266117      9.262123
  C     -11.816530     -0.831818      9.095293
  C     -11.374098     -0.399696      7.845207
  C      -9.433055     -0.538390      4.509242
  C      -8.526143     -1.446191      3.959091
  C      -3.579685     -6.167581      7.067394
  C      -3.013455     -4.921839      6.382814
  C      -1.738528     -4.343224      7.073367
  C      -0.475452     -5.141695      6.902406
  C      -0.226110     -6.307414      7.645357
  C       0.916488     -7.072653      7.416764
  C       1.854880     -6.699030      6.443570
  C       3.096915     -7.523012      6.206515
  C       4.206604     -7.263238      7.208363
  C       4.882647     -8.331673      7.810522
  C       5.931362     -8.104173      8.705556
  C       6.318064     -6.798590      9.013224
  C       5.647198     -5.724521      8.421316
  C       4.599934     -5.955956      7.528979
  C       1.626557     -5.516083      5.728551
  C       0.483727     -4.749506      5.958985
  H      -4.413120     -2.290835     -0.246638
  H      -2.659757     -2.167197     -0.554243
  H      -3.579165     -0.734941     -0.055809
  H      -4.028578     -1.602770      2.135606
  H      -1.851633     -0.426054      1.697418
  H      -1.967395     -1.391549      3.180325
  H      -0.740112     -3.479179      3.462892
  H       1.257440     -4.811377      2.869068
  H       3.453615     -3.999482     -0.080974
  H       2.565099     -5.492736      0.193486
  H       3.851206     -2.856742      2.589605
  H       5.355031     -3.389788      4.488941
  H       6.136198     -5.729137      4.850534
  H       5.408965     -7.526088      3.283625
  H       3.896806     -6.988686      1.387787
  H       1.777897     -2.438000     -0.678873
  H      -0.230652     -1.117596     -0.096227
  H      -7.028704     -5.597627      5.960279
  H      -8.526178     -4.675292      5.677241
  H      -8.159484     -6.085509      4.667411
  H      -6.623875     -3.430115      4.793865
  H      -7.264948     -3.234137      2.367434
  H      -8.421193     -4.564574      2.597392
  H     -10.565044     -4.149334      3.688282
  H     -12.167199     -2.545176      4.676570
  H     -11.265786      1.047213      5.467018
  H     -12.605212      0.176487      4.708200
  H     -14.244839     -0.815183      6.070238
  H     -15.037882     -1.593660      8.292172
  H     -13.482838     -1.602491     10.240308
  H     -11.131862     -0.826715      9.945596
  H     -10.341183     -0.064977      7.719572
  H      -9.113257      0.483806      4.726101
  H      -7.502758     -1.123245      3.744527
  H      -4.499943     -6.493134      6.561342
  H      -2.873393     -7.007668      7.081623
  H      -3.827852     -5.929390      8.110840
  H      -3.769802     -4.128072      6.485807
  H      -1.584337     -3.329867      6.674500
  H      -1.988943     -4.240130      8.141597
  H      -0.933113     -6.617606      8.417951
  H       1.090410     -7.974379      8.008933
  H       3.474818     -7.307865      5.193386
  H       2.842967     -8.593539      6.233758
  H       4.583415     -9.355904      7.574127
  H       6.444830     -8.950320      9.165850
  H       7.135084     -6.617878      9.713572
  H       5.940302     -4.699966      8.658347
  H       4.078284     -5.110805      7.075183
  H       2.361244     -5.190279      4.987784
  H       0.332987     -3.825831      5.396072
  N      -4.295225     -2.564820      4.514254
  N      -4.430212     -1.463322      5.037278
  H      -5.347561     -1.338092      5.513097
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042009363633
  N      -3.263233     -3.526647      1.934421
  C      -2.862526     -4.461834      0.884787
  C      -2.572102     -5.811776      1.504155
  N      -3.562867     -6.093455      2.575844
  C      -4.882448     -6.506787      2.029789
  C      -5.969295     -6.232754      3.055997
  N      -5.767901     -4.907597      3.652501
  Mo     -3.964295     -4.145318      3.662132
  N      -2.799768     -5.087177      4.939842
  C      -2.081786     -6.286361      4.491852
  C      -3.010690     -7.058121      3.564673
  H      -1.775337     -6.916544      5.336049
  H      -1.154142     -5.996863      3.973859
  H      -3.847998     -7.463923      4.147543
  H      -2.500230     -7.889992      3.050767
  H      -6.948071     -6.295245      2.553002
  H      -5.970478     -7.009913      3.841843
  H      -5.067854     -5.898205      1.134160
  H      -4.862721     -7.567926      1.729442
  H      -1.952083     -4.100424      0.380733
  H      -3.649120     -4.529016      0.111856
  H      -1.580062     -5.781979      1.972820
  H      -2.577106     -6.619546      0.753827
  C      -3.492652     -1.825108      0.085382
  C      -3.230059     -2.092329      1.566888
  C      -1.903077     -1.447844      2.073809
  C      -0.658864     -2.208837      1.709020
  C      -0.203210     -3.244992      2.539610
  C       0.919504     -3.998419      2.207470
  C       1.644698     -3.732341      1.037216
  C       2.871826     -4.545119      0.680834
  C       3.762793     -4.887615      1.855932
  C       4.197555     -3.888229      2.740432
  C       5.033760     -4.197246      3.813504
  C       5.456262     -5.513899      4.021011
  C       5.030061     -6.516371      3.148505
  C       4.185789     -6.203640      2.078418
  C       1.202788     -2.688498      0.214820
  C       0.067422     -1.941746      0.540878
  C      -7.708547     -5.206129      5.200084
  C      -6.970435     -4.281831      4.232653
  C      -7.893775     -3.723440      3.120279
  C      -8.903202     -2.748116      3.664474
  C     -10.228189     -3.124754      3.925646
  C     -11.135897     -2.221248      4.474927
  C     -10.752649     -0.907044      4.777990
  C     -11.744833      0.065683      5.379926
  C     -12.269128     -0.394547      6.723740
  C     -13.594222     -0.820599      6.874227
  C     -14.066696     -1.268985      8.111045
  C     -13.216278     -1.294596      9.217254
  C     -11.891350     -0.869023      9.078973
  C     -11.423376     -0.425309      7.842325
  C      -9.430942     -0.528022      4.514080
  C      -8.520725     -1.434290      3.967006
  C      -3.558895     -6.139082      7.081292
  C      -2.989419     -4.898699      6.389635
  C      -1.708331     -4.324156      7.071891
  C      -0.452244     -5.134651      6.906063
  C      -0.211687     -6.295036      7.660083
  C       0.922912     -7.073328      7.436122
  C       1.861757     -6.718861      6.456279
  C       3.093275     -7.558590      6.223241
  C       4.220453     -7.290639      7.203859
  C       4.933304     -8.355958      7.768191
  C       6.001173     -8.123950      8.638904
  C       6.370276     -6.816662      8.960811
  C       5.662532     -5.745932      8.407309
  C       4.596352     -5.981814      7.538660
  C       1.642689     -5.540977      5.729813
  C       0.507995     -4.760992      5.956079
  H      -4.426178     -2.301575     -0.245056
  H      -2.674339     -2.173487     -0.559262
  H      -3.596911     -0.741982     -0.064097
  H      -4.036070     -1.602072      2.132657
  H      -1.863045     -0.421230      1.678843
  H      -1.973144     -1.375538      3.169472
  H      -0.738419     -3.454574      3.468199
  H       1.260288     -4.787334      2.881145
  H       3.454003     -3.989757     -0.072923
  H       2.560998     -5.482368      0.189186
  H       3.869850     -2.857336      2.587500
  H       5.361043     -3.406717      4.491500
  H       6.105430     -5.756469      4.863375
  H       5.354026     -7.547730      3.300738
  H       3.854286     -6.993658      1.399949
  H       1.764187     -2.445388     -0.690616
  H      -0.245421     -1.125197     -0.114353
  H      -7.027125     -5.583084      5.976321
  H      -8.519318     -4.652475      5.692200
  H      -8.160352     -6.065167      4.683363
  H      -6.613136     -3.416678      4.807859
  H      -7.250479     -3.220535      2.381097
  H      -8.404698     -4.552913      2.607121
  H     -10.552904     -4.142039      3.693033
  H     -12.160915     -2.540561      4.677244
  H     -11.262428      1.049812      5.483568
  H     -12.594230      0.197259      4.691343
  H     -14.265385     -0.795564      6.012168
  H     -15.103854     -1.594543      8.209932
  H     -13.583694     -1.640092     10.184913
  H     -11.221725     -0.880015      9.941110
  H     -10.385599     -0.097794      7.739468
  H      -9.113498      0.494715      4.731832
  H      -7.497404     -1.109152      3.755459
  H      -4.485421     -6.459116      6.583177
  H      -2.858396     -6.984024      7.091712
  H      -3.797362     -5.897005      8.126134
  H      -3.740470     -4.100062      6.493621
  H      -1.547002     -3.315695      6.663528
  H      -1.955213     -4.209433      8.139763
  H      -0.919402     -6.590633      8.437702
  H       1.089879     -7.970590      8.036980
  H       3.460187     -7.370664      5.200557
  H       2.830101     -8.625901      6.277145
  H       4.647409     -9.381498      7.521111
  H       6.543160     -8.967987      9.069410
  H       7.201723     -6.632215      9.642959
  H       5.940869     -4.720205      8.656738
  H       4.046143     -5.138616      7.116088
  H       2.377817     -5.230547      4.982823
  H       0.364721     -3.841887      5.383748
  N      -4.287581     -2.552032      4.517759
  N      -4.424021     -1.450405      5.040145
  H      -5.341814     -1.325416      5.515165
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042031184707
  N      -3.266894     -3.522252      1.939287
  C      -2.867929     -4.462680      0.893687
  C      -2.571703     -5.808251      1.520274
  N      -3.555146     -6.084527      2.600319
  C      -4.877371     -6.504355      2.065569
  C      -5.958607     -6.223977      3.096181
  N      -5.754924     -4.894195      3.681565
  Mo     -3.952528     -4.129561      3.676365
  N      -2.775400     -5.061114      4.950779
  C      -2.059553     -6.262853      4.505492
  C      -2.995536     -7.041991      3.591773
  H      -1.744202     -6.886414      5.351326
  H      -1.137720     -5.975130      3.976348
  H      -3.828507     -7.441539      4.185111
  H      -2.489693     -7.878138      3.080331
  H      -6.940034     -6.290809      2.599123
  H      -5.955119     -6.995264      3.887760
  H      -5.069615     -5.903688      1.166000
  H      -4.857643     -7.567958      1.774029
  H      -1.960035     -4.101593      0.384709
  H      -3.657234     -4.535800      0.124112
  H      -1.576449     -5.773779      1.981689
  H      -2.580868     -6.621247      0.775645
  C      -3.514014     -1.833604      0.081292
  C      -3.241934     -2.090199      1.563234
  C      -1.915504     -1.435773      2.058948
  C      -0.670089     -2.196797      1.699663
  C      -0.206276     -3.219248      2.542224
  C       0.918443     -3.972934      2.215371
  C       1.636503     -3.720680      1.038179
  C       2.863776     -4.535191      0.684308
  C       3.744785     -4.890986      1.862463
  C       4.201489     -3.897440      2.742243
  C       5.027412     -4.220521      3.819193
  C       5.417627     -5.545723      4.035444
  C       4.969648     -6.542501      3.167358
  C       4.135345     -6.215586      2.093561
  C       1.186188     -2.689904      0.203492
  C       0.050009     -1.943074      0.524331
  C      -7.701762     -5.177717      5.225591
  C      -6.956016     -4.260898      4.256776
  C      -7.873906     -3.704544      3.139008
  C      -8.889651     -2.732217      3.676566
  C     -10.214326     -3.113108      3.932688
  C     -11.127213     -2.212386      4.478003
  C     -10.749869     -0.896397      4.780697
  C     -11.748373      0.075164      5.374321
  C     -12.314548     -0.403064      6.694392
  C     -13.648134     -0.815797      6.801174
  C     -14.159424     -1.281475      8.016003
  C     -13.340026     -1.337889      9.144242
  C     -12.007130     -0.925540      9.049898
  C     -11.500396     -0.464558      7.835038
  C      -9.428510     -0.513000      4.521265
  C      -8.512970     -1.416791      3.979288
  C      -3.525638     -6.095575      7.103167
  C      -2.951687     -4.863270      6.400717
  C      -1.661303     -4.294867      7.070047
  C      -0.415866     -5.123158      6.911838
  C      -0.188151     -6.275157      7.682380
  C       0.934102     -7.072878      7.465329
  C       1.872924     -6.747423      6.475543
  C       3.088145     -7.610716      6.248642
  C       4.241560     -7.332238      7.196322
  C       5.005342     -8.392131      7.701603
  C       6.101495     -8.154583      8.534575
  C       6.448086     -6.846798      8.878947
  C       5.689409     -5.781887      8.385343
  C       4.595249     -6.023154      7.553459
  C       1.667457     -5.577550      5.731931
  C       0.545309     -4.777565      5.951997
  H      -4.446945     -2.317022     -0.240579
  H      -2.697605     -2.182444     -0.565464
  H      -3.624624     -0.752052     -0.074748
  H      -4.047533     -1.600558      2.130077
  H      -1.880692     -0.413775      1.651748
  H      -1.981744     -1.350924      3.153990
  H      -0.736092     -3.416480      3.476756
  H       1.263750     -4.750670      2.899580
  H       3.453000     -3.976382     -0.061286
  H       2.552981     -5.467451      0.183232
  H       3.898139     -2.859896      2.584047
  H       5.371003     -3.434130      4.493898
  H       6.059191     -5.798679      4.880513
  H       5.269573     -7.580310      3.324702
  H       3.787896     -7.000838      1.417528
  H       1.742337     -2.457132     -0.707942
  H      -0.268376     -1.136864     -0.140937
  H      -7.023877     -5.559715      6.002448
  H      -8.507938     -4.616574      5.716582
  H      -8.161068     -6.033352      4.709754
  H      -6.596257     -3.395397      4.829735
  H      -7.228512     -3.200421      2.402441
  H      -8.378874     -4.536176      2.623348
  H     -10.534032     -4.132185      3.700940
  H     -12.151527     -2.535001      4.678389
  H     -11.259218      1.052183      5.508381
  H     -12.577680      0.227630      4.665620
  H     -14.295237     -0.766731      5.921932
  H     -15.202612     -1.596251      8.080535
  H     -13.737688     -1.696976     10.094833
  H     -11.361337     -0.960711      9.929381
  H     -10.456270     -0.148003      7.767265
  H      -9.114933      0.510671      4.740205
  H      -7.489839     -1.088038      3.772459
  H      -4.461693     -6.407011      6.617510
  H      -2.834065     -6.947825      7.107531
  H      -3.748899     -5.847847      8.150089
  H      -3.694708     -4.057386      6.506377
  H      -1.489591     -3.294064      6.647298
  H      -1.902274     -4.162629      8.137254
  H      -0.896363     -6.548653      8.467553
  H       1.090920     -7.963069      8.079248
  H       3.437293     -7.464017      5.212881
  H       2.811540     -8.671864      6.342819
  H       4.736416     -9.418090      7.437657
  H       6.682919     -8.994830      8.918516
  H       7.300854     -6.657761      9.532916
  H       5.948748     -4.756146      8.654402
  H       4.005681     -5.183564      7.179675
  H       2.402629     -5.290502      4.975553
  H       0.413042     -3.865695      5.365506
  N      -4.275577     -2.532241      4.524566
  N      -4.413707     -1.430435      5.046175
  H      -5.331845     -1.305662      5.520584
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042042312768
  N      -3.273075     -3.525260      1.922726
  C      -2.871287     -4.466342      0.878889
  C      -2.572637     -5.810405      1.507877
  N      -3.554753     -6.086269      2.589095
  C      -4.876754     -6.508981      2.055957
  C      -5.958352     -6.228299      3.086263
  N      -5.755647     -4.897870      3.670326
  Mo     -3.954930     -4.130217      3.662005
  N      -2.775243     -5.057622      4.937290
  C      -2.057653     -6.258942      4.493359
  C      -2.993570     -7.041145      3.582130
  H      -1.739468     -6.880224      5.339819
  H      -1.137477     -5.970216      3.961906
  H      -3.826015     -7.439082      4.177312
  H      -2.487677     -7.878282      3.072396
  H      -6.939409     -6.295816      2.588552
  H      -5.955209     -6.998758      3.878610
  H      -5.070482     -5.910754      1.155077
  H      -4.855736     -7.573217      1.766788
  H      -1.963641     -4.103974      0.370364
  H      -3.659718     -4.542019      0.108640
  H      -1.576924     -5.773160      1.968071
  H      -2.581212     -6.624974      0.764942
  C      -3.515656     -1.838258      0.062517
  C      -3.249545     -2.093356      1.545934
  C      -1.926695     -1.435455      2.046380
  C      -0.678390     -2.194232      1.692958
  C      -0.215544     -3.214916      2.537996
  C       0.912134     -3.966531      2.215896
  C       1.633916     -3.713786      1.041267
  C       2.863410     -4.527158      0.693354
  C       3.742124     -4.877917      1.874751
  C       4.196961     -3.881741      2.752252
  C       5.021498     -4.201681      3.831376
  C       5.411678     -5.526081      4.052175
  C       4.965022     -6.525585      3.186441
  C       4.132245     -6.201933      2.110523
  C       1.184586     -2.684491      0.204173
  C       0.045746     -1.939898      0.520132
  C      -7.698147     -5.182418      5.220142
  C      -6.956312     -4.265896      4.247867
  C      -7.879003     -3.713405      3.132157
  C      -8.891968     -2.739315      3.671692
  C     -10.214918     -3.119382      3.937540
  C     -11.123829     -2.217561      4.487801
  C     -10.744252     -0.900988      4.785054
  C     -11.737315      0.071772      5.385680
  C     -12.294125     -0.405295      6.710129
  C     -13.627603     -0.815276      6.827970
  C     -14.129773     -1.279766      8.047070
  C     -13.301210     -1.337798      9.168574
  C     -11.968316     -0.928200      9.063164
  C     -11.470771     -0.468395      7.844102
  C      -9.424943     -0.518035      4.514506
  C      -8.513246     -1.423118      3.968450
  C      -3.525419     -6.089972      7.090642
  C      -2.951745     -4.858409      6.386795
  C      -1.662073     -4.288328      7.055640
  C      -0.417511     -5.119095      6.903047
  C      -0.193361     -6.268131      7.679113
  C       0.927769     -7.068749      7.467593
  C       1.868773     -6.749589      6.477719
  C       3.082446     -7.616692      6.257516
  C       4.232467     -7.339365      7.209746
  C       4.991239     -8.400651      7.719607
  C       6.083131     -8.165090      8.558644
  C       6.430220     -6.857886      8.904739
  C       5.676436     -5.791619      8.406673
  C       4.586556     -6.030797      7.568496
  C       1.666955     -5.582861      5.728278
  C       0.545856     -4.779749      5.943256
  H      -4.446252     -2.323309     -0.263587
  H      -2.695547     -2.186086     -0.580056
  H      -3.627373     -0.756985     -0.094686
  H      -4.058777     -1.605143      2.108803
  H      -1.892768     -0.413952      1.637893
  H      -1.996998     -1.349293      3.141076
  H      -0.748203     -3.411920      3.471001
  H       1.255359     -4.742723      2.902885
  H       3.453670     -3.971220     -0.053568
  H       2.555003     -5.462108      0.195778
  H       3.893252     -2.844697      2.591574
  H       5.363595     -3.413040      4.504208
  H       6.052589     -5.776218      4.898576
  H       5.265281     -7.562800      3.346797
  H       3.786824     -6.988898      1.435380
  H       1.743763     -2.451484     -0.705365
  H      -0.271403     -1.134879     -0.147153
  H      -7.017343     -5.564947      5.994165
  H      -8.501912     -4.620797      5.714480
  H      -8.160319     -6.037646      4.706112
  H      -6.596162     -3.399215      4.818627
  H      -7.237815     -3.212203      2.389973
  H      -8.386581     -4.547145      2.622476
  H     -10.535954     -4.139193      3.710908
  H     -12.146452     -2.539981      4.696881
  H     -11.245913      1.048121      5.516131
  H     -12.571725      0.224961      4.683048
  H     -14.281936     -0.764891      5.954189
  H     -15.173072     -1.592286      8.120287
  H     -13.691779     -1.696003     10.122427
  H     -11.315303     -0.964724      9.937241
  H     -10.426518     -0.154091      7.767684
  H      -9.109502      0.505865      4.729651
  H      -7.491528     -1.094619      3.754412
  H      -4.463134     -6.400273      6.607490
  H      -2.834714     -6.942900      7.093433
  H      -3.745986     -5.841760      8.138040
  H      -3.694846     -4.052298      6.491063
  H      -1.488384     -3.289534      6.628937
  H      -1.904203     -4.151341      8.121975
  H      -0.903247     -6.536393      8.464569
  H       1.082086     -7.955973      8.086403
  H       3.435866     -7.474023      5.222856
  H       2.802497     -8.676878      6.353515
  H       4.721785     -9.426001      7.453778
  H       6.661035     -9.006429      8.945501
  H       7.279543     -6.670161      9.563548
  H       5.936047     -4.766449      8.677629
  H       4.000163     -5.190026      7.192274
  H       2.403725     -5.300792      4.971435
  H       0.416861     -3.870230      5.352364
  N      -4.281156     -2.531984      4.507463
  N      -4.419938     -1.428870      5.026154
  H      -5.335276     -1.305618      5.506441
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042053561335
  N      -3.277642     -3.522262      1.907093
  C      -2.874821     -4.463682      0.864072
  C      -2.572566     -5.806384      1.494561
  N      -3.551854     -6.082015      2.578258
  C      -4.874405     -6.507256      2.048267
  C      -5.954822     -6.225732      3.079697
  N      -5.752347     -4.894416      3.661671
  Mo     -3.952793     -4.125262      3.649528
  N      -2.769355     -5.049965      4.923651
  C      -2.051103     -6.251042      4.479849
  C      -2.988126     -7.035252      3.571494
  H      -1.729785     -6.870598      5.326419
  H      -1.132783     -5.961626      3.945563
  H      -3.819438     -7.431970      4.169119
  H      -2.483073     -7.873091      3.062142
  H      -6.936402     -6.294282      2.583116
  H      -5.950510     -6.995111      3.873071
  H      -5.070594     -5.911783      1.146100
  H      -4.852647     -7.572212      1.761828
  H      -1.968387     -4.099756      0.354492
  H      -3.663677     -4.541986      0.094488
  H      -1.575698     -5.766578      1.952115
  H      -2.581736     -6.622236      0.753036
  C      -3.519068     -1.836576      0.045441
  C      -3.256260     -2.090356      1.529748
  C      -1.935838     -1.429266      2.032442
  C      -0.686426     -2.188413      1.684238
  C      -0.225397     -3.206850      2.532935
  C       0.902036     -3.960320      2.214309
  C       1.625415     -3.711601      1.039797
  C       2.853086     -4.529059      0.696450
  C       3.733077     -4.873434      1.878915
  C       4.186634     -3.873891      2.752978
  C       5.012864     -4.189310      3.832366
  C       5.405774     -5.512217      4.056762
  C       4.960255     -6.515121      3.194234
  C       4.125854     -6.196112      2.118324
  C       1.178490     -2.683901      0.199556
  C       0.039749     -1.937628      0.511953
  C      -7.687162     -5.180252      5.220723
  C      -6.952228     -4.264054      4.242782
  C      -7.882187     -3.717928      3.130094
  C      -8.894287     -2.744198      3.672128
  C     -10.215390     -3.125798      3.944717
  C     -11.122982     -2.224780      4.498500
  C     -10.743945     -0.907375      4.792578
  C     -11.735053      0.064581      5.397801
  C     -12.286419     -0.413569      6.724105
  C     -13.618850     -0.825466      6.847083
  C     -14.115579     -1.291168      8.067938
  C     -13.282575     -1.348593      9.186233
  C     -11.950709     -0.937061      9.075735
  C     -11.458658     -0.476031      7.854899
  C      -9.426537     -0.522692      4.514850
  C      -8.516124     -1.427023      3.965387
  C      -3.515845     -6.077992      7.080127
  C      -2.942496     -4.848297      6.373000
  C      -1.651092     -4.277697      7.037671
  C      -0.409420     -5.113940      6.890874
  C      -0.190851     -6.259123      7.674280
  C       0.927774     -7.064846      7.469547
  C       1.871541     -6.755138      6.479172
  C       3.082997     -7.627802      6.268309
  C       4.226688     -7.352050      7.228560
  C       4.966313     -8.415878      7.760924
  C       6.050029     -8.182837      8.611087
  C       6.407971     -6.875568      8.945815
  C       5.673528     -5.806744      8.424959
  C       4.591629     -6.043360      7.575659
  C       1.675150     -5.592740      5.721772
  C       0.556493     -4.784345      5.930326
  H      -4.447850     -2.323344     -0.283214
  H      -2.696411     -2.183230     -0.594503
  H      -3.632304     -0.755578     -0.112577
  H      -4.068103     -1.603538      2.090107
  H      -1.902091     -0.408865      1.621234
  H      -2.008784     -1.340113      3.126722
  H      -0.759538     -3.400138      3.465906
  H       1.242745     -4.734909      2.904352
  H       3.443515     -3.980843     -0.056052
  H       2.541818     -5.467330      0.206855
  H       3.880768     -2.837822      2.590296
  H       5.353850     -3.397776      4.502377
  H       6.048263     -5.758658      4.903060
  H       5.262779     -7.551308      3.356957
  H       3.782388     -6.985397      1.444901
  H       1.739250     -2.454182     -0.709849
  H      -0.275677     -1.134256     -0.158133
  H      -7.001345     -5.562257      5.990546
  H      -8.487882     -4.618527      5.719885
  H      -8.152756     -6.035774      4.710134
  H      -6.591589     -3.395109      4.809611
  H      -7.247187     -3.218638      2.381373
  H      -8.391238     -4.554992      2.627351
  H     -10.535911     -4.146364      3.720749
  H     -12.144075     -2.548530      4.712952
  H     -11.243368      1.040901      5.527223
  H     -12.572325      0.217786      4.698557
  H     -14.276856     -0.775531      5.976026
  H     -15.158187     -1.605057      8.145105
  H     -13.668952     -1.707765     10.141432
  H     -11.294143     -0.973098      9.947177
  H     -10.415092     -0.160367      7.774716
  H      -9.111439      0.501827      4.727570
  H      -7.495968     -1.096945      3.746383
  H      -4.457146     -6.385528      6.602205
  H      -2.827477     -6.932805      7.078987
  H      -3.730110     -5.829153      8.128698
  H      -3.684373     -4.040916      6.477165
  H      -1.474176     -3.282424      6.604063
  H      -1.892433     -4.132596      8.103101
  H      -0.902687     -6.519634      8.460574
  H       1.078184     -7.948345      8.094623
  H       3.443586     -7.489955      5.235666
  H       2.797925     -8.686520      6.365890
  H       4.688236     -9.441044      7.503390
  H       6.613213     -9.026081      9.015145
  H       7.250833     -6.689504      9.613349
  H       5.941939     -4.781514      8.686986
  H       4.019728     -5.200424      7.182290
  H       2.413808     -5.318295      4.963903
  H       0.431788     -3.877944      5.333700
  N      -4.277437     -2.525816      4.493632
  N      -4.410411     -1.420473      5.009214
  H      -5.323152     -1.293372      5.493514
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042066382346
  N      -3.280730     -3.512280      1.889041
  C      -2.878561     -4.454303      0.846417
  C      -2.572321     -5.795760      1.477913
  N      -3.547452     -6.070580      2.565394
  C      -4.871431     -6.497700      2.040195
  C      -5.949196     -6.214483      3.074061
  N      -5.745578     -4.882311      3.653683
  Mo     -3.946655     -4.113041      3.635763
  N      -2.757961     -5.035698      4.906833
  C      -2.040684     -6.237155      4.462330
  C      -2.980459     -7.022652      3.558029
  H      -1.715629     -6.855126      5.308656
  H      -1.124670     -5.947823      3.923983
  H      -3.810108     -7.417892      4.158969
  H      -2.477396     -7.861351      3.048193
  H      -6.932039     -6.283643      2.580038
  H      -5.942948     -6.982726      3.868514
  H      -5.070767     -5.905185      1.136794
  H      -4.849768     -7.563470      1.756816
  H      -1.973888     -4.089124      0.334623
  H      -3.668864     -4.535022      0.078533
  H      -1.573686     -5.753906      1.931485
  H      -2.583539     -6.612860      0.737792
  C      -3.520940     -1.827666      0.026171
  C      -3.260019     -2.080409      1.511056
  C      -1.940325     -1.417870      2.014262
  C      -0.691818     -2.180963      1.671728
  C      -0.234225     -3.196036      2.526344
  C       0.889374     -3.956480      2.211085
  C       1.612680     -3.717981      1.034319
  C       2.833935     -4.545826      0.694244
  C       3.717729     -4.884560      1.875684
  C       4.175580     -3.881491      2.743211
  C       5.006614     -4.192760      3.820318
  C       5.399833     -5.514785      4.048898
  C       4.949752     -6.521277      3.192826
  C       4.110798     -6.206478      2.119371
  C       1.170501     -2.692335      0.189180
  C       0.035117     -1.939351      0.498129
  C      -7.669579     -5.170089      5.225367
  C      -6.943596     -4.253691      4.240847
  C      -7.882780     -3.713468      3.133243
  C      -8.895572     -2.743247      3.680521
  C     -10.214945     -3.128760      3.955784
  C     -11.123448     -2.231361      4.513887
  C     -10.747012     -0.913760      4.810220
  C     -11.739286      0.054638      5.419369
  C     -12.293139     -0.431123      6.741821
  C     -13.624954     -0.846622      6.859337
  C     -14.123803     -1.319702      8.076452
  C     -13.293643     -1.381018      9.196669
  C     -11.962475     -0.965819      9.091727
  C     -11.468336     -0.497426      7.874528
  C      -9.431168     -0.525196      4.530210
  C      -8.519915     -1.425833      3.976004
  C      -3.496610     -6.055644      7.069443
  C      -2.923560     -4.829534      6.356156
  C      -1.627729     -4.259296      7.012340
  C      -0.391108     -5.104428      6.873443
  C      -0.180863     -6.243518      7.668014
  C       0.933638     -7.057211      7.473299
  C       1.881357     -6.762029      6.482141
  C       3.089600     -7.642796      6.285713
  C       4.224131     -7.367161      7.256724
  C       4.933714     -8.432103      7.826632
  C       6.006367     -8.199742      8.690841
  C       6.383221     -6.891924      9.001861
  C       5.679178     -5.821913      8.442909
  C       4.607977     -6.057841      7.579911
  C       1.692897     -5.606439      5.712576
  C       0.578316     -4.789894      5.911464
  H      -4.448717     -2.315309     -0.303928
  H      -2.696846     -2.173886     -0.612145
  H      -3.634855     -0.746847     -0.132553
  H      -4.073240     -1.593837      2.069690
  H      -1.904777     -0.399370      1.598584
  H      -2.015130     -1.323683      3.107959
  H      -0.768741     -3.380744      3.460889
  H       1.226180     -4.728876      2.905462
  H       3.424420     -4.009977     -0.067104
  H       2.514179     -5.487193      0.216072
  H       3.869892     -2.845835      2.577807
  H       5.350932     -3.398161      4.484977
  H       6.046298     -5.757913      4.893157
  H       5.252334     -7.556965      3.358586
  H       3.764666     -6.998310      1.450346
  H       1.731825     -2.470642     -0.721850
  H      -0.277226     -1.138528     -0.176420
  H      -6.977020     -5.552383      5.988954
  H      -8.465889     -4.608512      5.731741
  H      -8.140038     -6.025346      4.718712
  H      -6.581456     -3.382518      4.803237
  H      -7.255359     -3.213448      2.378670
  H      -8.392208     -4.553610      2.636067
  H     -10.533487     -4.149551      3.730031
  H     -12.143223     -2.558171      4.729943
  H     -11.247968      1.030241      5.555230
  H     -12.575430      0.211371      4.719560
  H     -14.281001     -0.793686      5.986966
  H     -15.165909     -1.636277      8.149239
  H     -13.681739     -1.745976     10.148969
  H     -11.308048     -1.004782      9.964650
  H     -10.425271     -0.179010      7.798990
  H      -9.118023      0.499571      4.744607
  H      -7.501221     -1.092362      3.755376
  H      -4.443789     -6.358554      6.600241
  H      -2.812514     -6.913819      7.062213
  H      -3.700242     -5.805345      8.119794
  H      -3.662687     -4.019687      6.461217
  H      -1.445822     -3.269762      6.567763
  H      -1.866519     -4.101317      8.076513
  H      -0.895501     -6.492148      8.455569
  H       1.078110     -7.935217      8.107452
  H       3.460257     -7.513405      5.255659
  H       2.797418     -8.699154      6.387453
  H       4.640450     -9.457430      7.587352
  H       6.546076     -9.043760      9.124251
  H       7.217310     -6.706019      9.680369
  H       5.962922     -4.796145      8.685974
  H       4.059219     -5.213703      7.157206
  H       2.433805     -5.343731      4.952753
  H       0.459823     -3.888442      5.306131
  N      -4.265801     -2.511871      4.478904
  N      -4.387931     -1.403168      4.990225
  H      -5.296067     -1.268872      5.481197
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042080072397
  N      -3.276168     -3.497687      1.881471
  C      -2.876975     -4.441508      0.839330
  C      -2.569939     -5.782341      1.471742
  N      -3.542577     -6.054724      2.561971
  C      -4.868236     -6.481190      2.040382
  C      -5.943381     -6.195019      3.076209
  N      -5.737310     -4.862203      3.653721
  Mo     -3.937449     -4.095374      3.631219
  N      -2.746235     -5.017796      4.900075
  C      -2.031812     -6.220986      4.455777
  C      -2.974422     -7.006362      3.554471
  H      -1.705618     -6.838068      5.302330
  H      -1.116611     -5.933709      3.914822
  H      -3.803294     -7.400268      4.157352
  H      -2.473339     -7.846057      3.044333
  H      -6.927496     -6.263895      2.584669
  H      -5.935956     -6.962171      3.871716
  H      -5.068857     -5.890316      1.136218
  H      -4.848285     -7.547541      1.759104
  H      -1.973327     -4.077350      0.325046
  H      -3.669122     -4.522864      0.073395
  H      -1.570074     -5.740618      1.922659
  H      -2.583794     -6.600370      0.732689
  C      -3.515912     -1.814902      0.016804
  C      -3.252403     -2.066407      1.501470
  C      -1.929432     -1.406804      2.000733
  C      -0.684922     -2.177284      1.659982
  C      -0.230576     -3.189385      2.519937
  C       0.886494     -3.959543      2.205620
  C       1.606833     -3.733794      1.024441
  C       2.819436     -4.573894      0.683725
  C       3.706254     -4.915118      1.862213
  C       4.174883     -3.912489      2.724510
  C       5.011305     -4.225623      3.796885
  C       5.398986     -5.549188      4.026072
  C       4.937380     -6.555375      3.175809
  C       4.093311     -6.238643      2.106960
  C       1.169127     -2.710034      0.174714
  C       0.039746     -1.947473      0.482770
  C      -7.653923     -5.151225      5.233733
  C      -6.933206     -4.234079      4.246053
  C      -7.877620     -3.694858      3.142519
  C      -8.894559     -2.731905      3.695074
  C     -10.212938     -3.124298      3.965308
  C     -11.126399     -2.233791      4.526221
  C     -10.755984     -0.916450      4.831158
  C     -11.754698      0.045047      5.440924
  C     -12.321593     -0.454533      6.752645
  C     -13.653601     -0.874259      6.851466
  C     -14.164687     -1.360368      8.058297
  C     -13.346809     -1.430617      9.186960
  C     -12.015638     -1.011113      9.100796
  C     -11.509261     -0.529711      7.893737
  C      -9.440851     -0.521281      4.557244
  C      -8.524743     -1.414896      3.999533
  C      -3.479028     -6.028215      7.068774
  C      -2.904751     -4.806391      6.349283
  C      -1.603802     -4.238221      6.997266
  C      -0.372541     -5.091919      6.863619
  C      -0.169152     -6.225591      7.667655
  C       0.940714     -7.047115      7.479982
  C       1.890324     -6.765604      6.486616
  C       3.094938     -7.653938      6.301193
  C       4.225138     -7.375445      7.276323
  C       4.914112     -8.437963      7.875350
  C       5.981859     -8.202383      8.744795
  C       6.374560     -6.893683      9.031473
  C       5.691256     -5.825985      8.443098
  C       4.624693     -6.065149      7.575342
  C       1.708202     -5.616102      5.706537
  C       0.598454     -4.791459      5.898757
  H      -4.445520     -2.300808     -0.310645
  H      -2.694108     -2.163829     -0.622971
  H      -3.627621     -0.734032     -0.143066
  H      -4.063242     -1.576818      2.060948
  H      -1.889995     -0.390287      1.580600
  H      -2.002664     -1.307469      3.094032
  H      -0.763233     -3.364057      3.457493
  H       1.220669     -4.730003      2.903378
  H       3.411091     -4.047292     -0.083175
  H       2.489058     -5.514637      0.211493
  H       3.874279     -2.875492      2.558287
  H       5.364340     -3.431257      4.457219
  H       6.049955     -5.793814      4.866473
  H       5.234993     -7.592355      3.342491
  H       3.738135     -7.030318      1.442482
  H       1.728827     -2.498117     -0.739607
  H      -0.269800     -1.148948     -0.195755
  H      -6.957096     -5.534404      5.992966
  H      -8.447315     -4.590137      5.745204
  H      -8.127450     -6.005866      4.728931
  H      -6.569272     -3.362326      4.806520
  H      -7.254106     -3.189377      2.388332
  H      -8.384094     -4.535717      2.643587
  H     -10.527014     -4.144928      3.732690
  H     -12.145411     -2.565930      4.737623
  H     -11.265586      1.019623      5.591283
  H     -12.584141      0.208227      4.734634
  H     -14.300178     -0.814461      5.972489
  H     -15.206721     -1.680170      8.116425
  H     -13.744478     -1.805793     10.131298
  H     -11.370823     -1.056855      9.980506
  H     -10.466348     -0.207841      7.833000
  H      -9.132315      0.503463      4.778317
  H      -7.506901     -1.076067      3.783276
  H      -4.431068     -6.326697      6.606589
  H      -2.799524     -6.889949      7.057676
  H      -3.673960     -5.775592      8.120218
  H      -3.640451     -3.993578      6.454988
  H      -1.417187     -3.253687      6.543653
  H      -1.839406     -4.069571      8.060522
  H      -0.885201     -6.463228      8.457267
  H       1.080437     -7.920459      8.121598
  H       3.470978     -7.534440      5.271867
  H       2.797011     -8.707886      6.410371
  H       4.608087     -9.463852      7.655384
  H       6.505203     -9.044437      9.201449
  H       7.204858     -6.705161      9.713889
  H       5.987711     -4.799373      8.666617
  H       4.092179     -5.222704      7.129197
  H       2.449563     -5.364294      4.943487
  H       0.484877     -3.894357      5.286118
  N      -4.249058     -2.491981      4.473047
  N      -4.360981     -1.380373      4.980593
  H      -5.265137     -1.238803      5.476679
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042100521529
  N      -3.264335     -3.472122      1.871198
  C      -2.870963     -4.419142      0.829622
  C      -2.565443     -5.759706      1.462992
  N      -3.535625     -6.027685      2.556378
  C      -4.864138     -6.451041      2.039478
  C      -5.935276     -6.160978      3.078380
  N      -5.724496     -4.828006      3.654289
  Mo     -3.922620     -4.065515      3.624103
  N      -2.728754     -4.988281      4.889764
  C      -2.019834     -6.194851      4.446198
  C      -2.966991     -6.979062      3.548866
  H      -1.693939     -6.811434      5.293244
  H      -1.104777     -5.911988      3.902457
  H      -3.795142     -7.370882      4.154048
  H      -2.469051     -7.820464      3.038410
  H      -6.921166     -6.228155      2.590170
  H      -5.926853     -6.927394      3.874582
  H      -5.065594     -5.860410      1.135368
  H      -4.847990     -7.517715      1.759211
  H      -1.967932     -4.058238      0.312039
  H      -3.665749     -4.499434      0.066325
  H      -1.564331     -5.719629      1.911276
  H      -2.583186     -6.578733      0.725111
  C      -3.504698     -1.792224      0.003973
  C      -3.233226     -2.042122      1.487520
  C      -1.902390     -1.390263      1.977367
  C      -0.666001     -2.174171      1.637259
  C      -0.214955     -3.179752      2.506607
  C       0.890978     -3.966076      2.193516
  C       1.603623     -3.763387      1.003547
  C       2.802872     -4.621857      0.660489
  C       3.690820     -4.970682      1.835627
  C       4.182669     -3.969396      2.686729
  C       5.021202     -4.288124      3.755528
  C       5.387407     -5.616486      3.992814
  C       4.902018     -6.621383      3.154504
  C       4.055936     -6.298780      2.088863
  C       1.170809     -2.744738      0.144982
  C       0.052216     -1.965903      0.452217
  C      -7.630711     -5.119100      5.246082
  C      -6.916143     -4.200123      4.255721
  C      -7.866778     -3.658074      3.159028
  C      -8.890912     -2.708570      3.721455
  C     -10.207278     -3.113104      3.983575
  C     -11.128761     -2.235018      4.550754
  C     -10.768635     -0.918275      4.870490
  C     -11.777822      0.031153      5.482208
  C     -12.369915     -0.494668      6.772270
  C     -13.702788     -0.918453      6.835510
  C     -14.237449     -1.429127      8.021803
  C     -13.442695     -1.520080      9.165327
  C     -12.110986     -1.096446      9.114821
  C     -11.580986     -0.590512      7.928119
  C      -9.455277     -0.511483      4.606050
  C      -8.531188     -1.392595      4.041661
  C      -3.458142     -5.985722      7.065250
  C      -2.878726     -4.770365      6.338894
  C      -1.570550     -4.208289      6.977737
  C      -0.347799     -5.075293      6.852882
  C      -0.155734     -6.201018      7.670647
  C       0.947354     -7.034077      7.494942
  C       1.901178     -6.772602      6.500167
  C       3.100847     -7.671357      6.332731
  C       4.227610     -7.382590      7.308903
  C       4.891236     -8.436063      7.950811
  C       5.955967     -8.190056      8.821258
  C       6.371295     -6.879772      9.065283
  C       5.713368     -5.820767      8.433687
  C       4.649511     -6.070340      7.565825
  C       1.729235     -5.632301      5.704408
  C       0.626566     -4.795684      5.885135
  H      -4.439335     -2.273441     -0.315960
  H      -2.689614     -2.147464     -0.640845
  H      -3.611004     -0.711079     -0.157636
  H      -4.037344     -1.545766      2.050650
  H      -1.855625     -0.377015      1.550091
  H      -1.970777     -1.282773      3.070137
  H      -0.742379     -3.336759      3.450245
  H       1.222952     -4.731660      2.897699
  H       3.397601     -4.105347     -0.110853
  H       2.457564     -5.559483      0.192753
  H       3.899028     -2.928739      2.513720
  H       5.392724     -3.494965      4.407072
  H       6.040438     -5.865559      4.830371
  H       5.182159     -7.662057      3.328291
  H       3.680450     -7.089818      1.434781
  H       1.725574     -2.550333     -0.776183
  H      -0.254210     -1.172437     -0.233560
  H      -6.928744     -5.503558      5.999927
  H      -8.420924     -4.559438      5.763923
  H      -8.107138     -5.972912      4.742772
  H      -6.548378     -3.329091      4.815183
  H      -7.247369     -3.140883      2.409342
  H      -8.367351     -4.497893      2.652552
  H     -10.513528     -4.133432      3.739492
  H     -12.145929     -2.576706      4.755505
  H     -11.291401      1.002257      5.661012
  H     -12.593978      0.209520      4.764140
  H     -14.331340     -0.842584      5.944793
  H     -15.279725     -1.751937      8.052225
  H     -13.858766     -1.914523     10.093740
  H     -11.484336     -1.158146     10.006577
  H     -10.537910     -0.265210      7.895144
  H      -9.154672      0.512969      4.839045
  H      -7.514969     -1.044710      3.832517
  H      -4.415970     -6.276467      6.610074
  H      -2.786504     -6.853475      7.050582
  H      -3.643440     -5.730000      8.117684
  H      -3.608376     -3.952413      6.445422
  H      -1.375284     -3.230723      6.512923
  H      -1.803009     -4.025623      8.039403
  H      -0.874876     -6.422451      8.462078
  H       1.079025     -7.900723      8.147246
  H       3.482082     -7.570806      5.303153
  H       2.796073     -8.721350      6.458727
  H       4.567073     -9.463122      7.765134
  H       6.459032     -9.025041      9.312338
  H       7.199365     -6.683177      9.748105
  H       6.027498     -4.792597      8.623270
  H       4.136941     -5.234531      7.085279
  H       2.472064     -5.396192      4.937740
  H       0.521073     -3.905292      5.261465
  N      -4.222931     -2.458853      4.463508
  N      -4.321269     -1.342871      4.964457
  H      -5.216750     -1.192730      5.473308
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041945880659
  N      -3.262378     -3.501453      1.839962
  C      -2.872076     -4.463511      0.810822
  C      -2.576851     -5.798908      1.459250
  N      -3.553361     -6.048775      2.551231
  C      -4.883791     -6.465555      2.034641
  C      -5.953185     -6.161845      3.071167
  N      -5.734450     -4.826650      3.639262
  Mo     -3.928054     -4.073105      3.597869
  N      -2.738606     -4.987617      4.872716
  C      -2.043473     -6.208095      4.446194
  C      -2.995400     -6.993815      3.555755
  H      -1.727263     -6.817656      5.301982
  H      -1.123129     -5.943269      3.902228
  H      -3.828002     -7.374735      4.161737
  H      -2.502131     -7.844170      3.055533
  H      -6.939885     -6.227001      2.584180
  H      -5.948075     -6.923241      3.872246
  H      -5.079402     -5.877967      1.127272
  H      -4.874935     -7.533822      1.760172
  H      -1.966642     -4.114163      0.289606
  H      -3.666546     -4.548635      0.047718
  H      -1.577790     -5.761261      1.912095
  H      -2.596379     -6.625061      0.729417
  C      -3.517044     -1.858923     -0.057659
  C      -3.241208     -2.078665      1.429611
  C      -1.916988     -1.403856      1.907660
  C      -0.668149     -2.175794      1.584743
  C      -0.196687     -3.146562      2.482444
  C       0.927603     -3.915552      2.194008
  C       1.638189     -3.730208      0.999779
  C       2.861898     -4.564172      0.682544
  C       3.753303     -4.860198      1.869276
  C       4.223069     -3.821789      2.688504
  C       5.069146     -4.087464      3.765407
  C       5.465110     -5.399446      4.043392
  C       5.000304     -6.440844      3.238900
  C       4.147028     -6.171142      2.164228
  C       1.182847     -2.747913      0.110817
  C       0.046600     -1.985515      0.394710
  C      -7.630554     -5.111954      5.242751
  C      -6.919688     -4.194437      4.248610
  C      -7.873865     -3.644065      3.159000
  C      -8.893594     -2.695513      3.730711
  C     -10.208759     -3.100005      3.999410
  C     -11.125701     -2.223517      4.576152
  C     -10.761827     -0.908780      4.900511
  C     -11.766231      0.038476      5.523708
  C     -12.356908     -0.496384      6.810692
  C     -13.691929     -0.913029      6.874381
  C     -14.225390     -1.431244      8.057944
  C     -13.426861     -1.537520      9.197503
  C     -12.092684     -1.121619      9.146231
  C     -11.564004     -0.607854      7.962352
  C      -9.449896     -0.502170      4.629721
  C      -8.530585     -1.381322      4.054313
  C      -3.473598     -5.931113      7.070859
  C      -2.876681     -4.740316      6.318459
  C      -1.553128     -4.191531      6.937584
  C      -0.353065     -5.092391      6.835836
  C      -0.183502     -6.191543      7.693511
  C       0.896503     -7.058879      7.541458
  C       1.847840     -6.860260      6.530014
  C       3.023864     -7.794151      6.387791
  C       4.171487     -7.487754      7.333405
  C       4.828291     -8.525833      8.006432
  C       5.914366     -8.263635      8.845267
  C       6.359295     -6.952588      9.024691
  C       5.707793     -5.908494      8.362327
  C       4.622562     -6.174324      7.526483
  C       1.698136     -5.746744      5.692837
  C       0.620158     -4.874443      5.851023
  H      -4.447982     -2.354651     -0.366170
  H      -2.700433     -2.218822     -0.698023
  H      -3.633378     -0.781996     -0.239265
  H      -4.048754     -1.578155      1.984052
  H      -1.881727     -0.398056      1.461994
  H      -1.989090     -1.276563      2.997978
  H      -0.721459     -3.288708      3.429889
  H       1.278929     -4.652076      2.919393
  H       3.445941     -4.046628     -0.096274
  H       2.545051     -5.520452      0.232779
  H       3.919227     -2.793448      2.479408
  H       5.425359     -3.266510      4.390481
  H       6.123955     -5.607580      4.887534
  H       5.303164     -7.469027      3.446135
  H       3.786521     -6.991153      1.537948
  H       1.735461     -2.566259     -0.814175
  H      -0.275722     -1.217279     -0.312178
  H      -6.924951     -5.494606      5.994132
  H      -8.418660     -4.551842      5.763290
  H      -8.108309     -5.967066      4.743136
  H      -6.545182     -3.325232      4.806849
  H      -7.253876     -3.122699      2.412645
  H      -8.377453     -4.479094      2.647586
  H     -10.518005     -4.118754      3.752576
  H     -12.141912     -2.565300      4.785373
  H     -11.275496      1.006112      5.710074
  H     -12.582685      0.228034      4.808706
  H     -14.322770     -0.825525      5.986383
  H     -15.269295     -1.748609      8.089114
  H     -13.841827     -1.938232     10.123729
  H     -11.463432     -1.195077     10.035252
  H     -10.519540     -0.287763      7.927718
  H      -9.146923      0.520891      4.865785
  H      -7.514985     -1.034630      3.840448
  H      -4.437762     -6.214273      6.624408
  H      -2.817080     -6.810565      7.070403
  H      -3.650245     -5.652406      8.118913
  H      -3.591204     -3.908055      6.413872
  H      -1.335882     -3.232911      6.444053
  H      -1.778603     -3.972953      7.993954
  H      -0.902629     -6.365276      8.496796
  H       1.010951     -7.904755      8.223609
  H       3.394154     -7.745485      5.350460
  H       2.697241     -8.830526      6.562293
  H       4.482025     -9.553620      7.871541
  H       6.411035     -9.086430      9.362687
  H       7.205406     -6.744021      9.681341
  H       6.045409     -4.879501      8.500058
  H       4.117151     -5.350715      7.018350
  H       2.439592     -5.558492      4.911738
  H       0.531817     -4.005062      5.195900
  N      -4.217435     -2.455372      4.419313
  N      -4.310607     -1.333028      4.906739
  H      -5.204603     -1.172900      5.414925
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041260420787
  N      -3.259778     -3.510921      1.803530
  C      -2.867233     -4.475243      0.777384
  C      -2.586420     -5.813043      1.427057
  N      -3.572888     -6.057626      2.511016
  C      -4.902349     -6.464479      1.985232
  C      -5.974257     -6.160386      3.018525
  N      -5.751595     -4.828996      3.593488
  Mo     -3.941911     -4.080677      3.555906
  N      -2.761468     -4.998510      4.835858
  C      -2.074390     -6.225352      4.414526
  C      -3.026827     -7.005414      3.519474
  H      -1.768702     -6.836693      5.272973
  H      -1.148127     -5.969768      3.876521
  H      -3.864856     -7.382993      4.120082
  H      -2.535015     -7.858684      3.022608
  H      -6.959703     -6.219772      2.528057
  H      -5.974616     -6.925264      3.816344
  H      -5.090203     -5.870218      1.080501
  H      -4.898099     -7.531177      1.704574
  H      -1.955787     -4.131930      0.262586
  H      -3.656437     -4.555315      0.008291
  H      -1.591373     -5.783577      1.889048
  H      -2.604734     -6.638010      0.695873
  C      -3.474902     -1.866189     -0.097688
  C      -3.225667     -2.088378      1.393590
  C      -1.907087     -1.423146      1.898018
  C      -0.656261     -2.204243      1.605596
  C      -0.222815     -3.187531      2.508632
  C       0.906650     -3.959824      2.251743
  C       1.662280     -3.763908      1.087354
  C       2.897175     -4.595499      0.810160
  C       3.726154     -4.923508      2.033103
  C       4.168005     -3.904439      2.891729
  C       4.954362     -4.198620      4.005704
  C       5.317349     -5.520583      4.282049
  C       4.878847     -6.542712      3.439162
  C       4.086053     -6.244230      2.326541
  C       1.243055     -2.771432      0.191845
  C       0.099521     -2.007811      0.441941
  C      -7.645304     -5.125937      5.196335
  C      -6.934041     -4.199640      4.210757
  C      -7.887331     -3.631888      3.128877
  C      -8.900532     -2.683604      3.712487
  C     -10.213834     -3.087231      3.992031
  C     -11.122687     -2.213056      4.584930
  C     -10.752076     -0.901865      4.916516
  C     -11.745804      0.041181      5.563236
  C     -12.311270     -0.499489      6.859177
  C     -13.646425     -0.910522      6.949612
  C     -14.155941     -1.432448      8.142116
  C     -13.332447     -1.548988      9.262917
  C     -11.997542     -1.139600      9.184407
  C     -11.493046     -0.621716      7.991853
  C      -9.442521     -0.495535      4.633561
  C      -8.531589     -1.372097      4.040683
  C      -3.488576     -5.937823      7.038142
  C      -2.900881     -4.745617      6.280927
  C      -1.581545     -4.184263      6.898764
  C      -0.371145     -5.070197      6.790518
  C      -0.181196     -6.166664      7.647144
  C       0.909947     -7.019172      7.488156
  C       1.852082     -6.807299      6.470615
  C       3.040815     -7.723047      6.316383
  C       4.198063     -7.397382      7.243314
  C       4.910103     -8.427741      7.870205
  C       6.005986     -8.147019      8.689848
  C       6.406009     -6.825266      8.895725
  C       5.697874     -5.788815      8.281382
  C       4.603566     -6.073352      7.463466
  C       1.682458     -5.694958      5.635939
  C       0.593371     -4.838150      5.800444
  H      -4.404179     -2.355350     -0.421657
  H      -2.650419     -2.231571     -0.724919
  H      -3.580728     -0.788374     -0.280570
  H      -4.038776     -1.583038      1.935447
  H      -1.853772     -0.417005      1.454819
  H      -2.003914     -1.296520      2.986508
  H      -0.782350     -3.339466      3.434436
  H       1.230698     -4.705871      2.979798
  H       3.520723     -4.060973      0.074562
  H       2.599208     -5.538757      0.321685
  H       3.891149     -2.868675      2.681208
  H       5.291715     -3.392888      4.660374
  H       5.929249     -5.751355      5.155027
  H       5.156869     -7.578165      3.645465
  H       3.746126     -7.049537      1.670444
  H       1.829800     -2.582236     -0.710337
  H      -0.194027     -1.230349     -0.267493
  H      -6.940118     -5.512446      5.946149
  H      -8.435091     -4.570871      5.719706
  H      -8.120378     -5.978610      4.689928
  H      -6.556587     -3.338102      4.778685
  H      -7.264185     -3.104713      2.389293
  H      -8.395395     -4.458274      2.607680
  H     -10.528262     -4.103247      3.740510
  H     -12.137570     -2.554212      4.801644
  H     -11.251402      1.007856      5.745915
  H     -12.574361      0.236283      4.863542
  H     -14.295836     -0.815310      6.075935
  H     -15.200317     -1.745416      8.194817
  H     -13.728557     -1.953003     10.195986
  H     -11.349211     -1.220873     10.058972
  H     -10.448689     -0.305465      7.934616
  H      -9.134863      0.525015      4.874574
  H      -7.517220     -1.026938      3.818571
  H      -4.446621     -6.235262      6.588035
  H      -2.822126     -6.810004      7.047689
  H      -3.674255     -5.653905      8.083232
  H      -3.622041     -3.918748      6.372815
  H      -1.376529     -3.221629      6.407792
  H      -1.807441     -3.971767      7.956203
  H      -0.893576     -6.351032      8.454286
  H       1.040118     -7.863942      8.168913
  H       3.398222     -7.665805      5.275231
  H       2.733478     -8.765370      6.491728
  H       4.601332     -9.464403      7.713026
  H       6.546399     -8.964177      9.171138
  H       7.261344     -6.603120      9.535824
  H       5.999989     -4.751728      8.439796
  H       4.055010     -5.256491      6.990526
  H       2.419420     -5.493975      4.853628
  H       0.489592     -3.968009      5.148558
  N      -4.230908     -2.462307      4.376342
  N      -4.333814     -1.342606      4.867183
  H      -5.233871     -1.188353      5.366379
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041729424265
  N      -3.261160     -3.452642      1.726783
  C      -2.870430     -4.404604      0.688773
  C      -2.588973     -5.750576      1.321556
  N      -3.570062     -6.007429      2.406483
  C      -4.903270     -6.405430      1.883708
  C      -5.967745     -6.115803      2.928604
  N      -5.739391     -4.794024      3.522899
  Mo     -3.930331     -4.044151      3.477345
  N      -2.738257     -4.974878      4.736623
  C      -2.058961     -6.199989      4.298323
  C      -3.019106     -6.967383      3.400695
  H      -1.751470     -6.821927      5.148583
  H      -1.134315     -5.943221      3.758023
  H      -3.854094     -7.351346      4.001454
  H      -2.531781     -7.815823      2.891169
  H      -6.956565     -6.166134      2.443734
  H      -5.963960     -6.893070      3.714343
  H      -5.096485     -5.797799      0.989056
  H      -4.902046     -7.467910      1.587451
  H      -1.959473     -4.055292      0.176787
  H      -3.660426     -4.475315     -0.080378
  H      -1.593527     -5.728316      1.782076
  H      -2.609732     -6.566517      0.580372
  C      -3.479053     -1.776124     -0.148460
  C      -3.220685     -2.024536      1.337062
  C      -1.890922     -1.383459      1.841158
  C      -0.655182     -2.178735      1.524160
  C      -0.236663     -3.190938      2.401874
  C       0.870916     -3.984756      2.117610
  C       1.619486     -3.782857      0.948944
  C       2.824742     -4.643878      0.632140
  C       3.648047     -5.051704      1.834112
  C       4.134263     -4.085553      2.729000
  C       4.916472     -4.454556      3.823232
  C       5.229928     -5.799788      4.042891
  C       4.745549     -6.769747      3.164649
  C       3.957458     -6.396231      2.071798
  C       1.218160     -2.758422      0.081498
  C       0.094843     -1.974092      0.358530
  C      -7.604121     -5.125193      5.152079
  C      -6.913910     -4.179661      4.169793
  C      -7.887664     -3.598017      3.114050
  C      -8.895830     -2.666774      3.732597
  C     -10.200962     -3.084452      4.029391
  C     -11.103211     -2.228552      4.657855
  C     -10.734183     -0.921859      5.008594
  C     -11.719824      0.001023      5.695601
  C     -12.260440     -0.573463      6.987414
  C     -13.592675     -0.990142      7.092760
  C     -14.078008     -1.543085      8.281406
  C     -13.232820     -1.685578      9.382932
  C     -11.900543     -1.270839      9.289388
  C     -11.420271     -0.721858      8.100771
  C      -9.433468     -0.500959      4.707116
  C      -8.528962     -1.359395      4.078923
  C      -3.460760     -5.938836      6.928064
  C      -2.873598     -4.738095      6.184535
  C      -1.560685     -4.174369      6.815734
  C      -0.347929     -5.062501      6.755701
  C      -0.192292     -6.147613      7.633332
  C       0.916280     -6.987455      7.545123
  C       1.917269     -6.766557      6.587723
  C       3.138337     -7.650695      6.530960
  C       4.198275     -7.302243      7.561063
  C       4.877724     -8.318841      8.244175
  C       5.882912     -8.016096      9.165749
  C       6.222156     -6.685815      9.420264
  C       5.543633     -5.663115      8.752006
  C       4.539987     -5.969718      7.832043
  C       1.778577     -5.668447      5.729126
  C       0.664967     -4.831717      5.814064
  H      -4.415589     -2.250628     -0.473197
  H      -2.663057     -2.139300     -0.787890
  H      -3.575461     -0.694499     -0.313121
  H      -4.024429     -1.519643      1.893627
  H      -1.827383     -0.370630      1.414835
  H      -1.977324     -1.275044      2.932361
  H      -0.793485     -3.351656      3.328104
  H       1.183999     -4.752630      2.827762
  H       3.462281     -4.100946     -0.085072
  H       2.493625     -5.555755      0.107011
  H       3.896803     -3.032272      2.561623
  H       5.290848     -3.689530      4.505999
  H       5.840803     -6.089186      4.898613
  H       4.984663     -7.822517      3.327534
  H       3.581082     -7.160782      1.387359
  H       1.799697     -2.565491     -0.823236
  H      -0.188013     -1.175875     -0.331938
  H      -6.884354     -5.520148      5.883364
  H      -8.387268     -4.582519      5.697966
  H      -8.084016     -5.971937      4.640320
  H      -6.530557     -3.325638      4.745356
  H      -7.279004     -3.053817      2.374765
  H      -8.399902     -4.417571      2.586237
  H     -10.513998     -4.097386      3.764069
  H     -12.111244     -2.581181      4.887790
  H     -11.224868      0.964330      5.894257
  H     -12.560203      0.211796      5.014782
  H     -14.258963     -0.874743      6.234363
  H     -15.120479     -1.860100      8.346227
  H     -13.610095     -2.114023     10.312912
  H     -11.235447     -1.372409     10.149106
  H     -10.377886     -0.401370      8.030894
  H      -9.127662      0.516656      4.962496
  H      -7.521247     -1.003463      3.843930
  H      -4.418063     -6.231431      6.473227
  H      -2.793994     -6.810899      6.927710
  H      -3.647815     -5.667705      7.976327
  H      -3.597759     -3.914846      6.283127
  H      -1.343087     -3.218040      6.317935
  H      -1.809593     -3.947483      7.864938
  H      -0.943541     -6.329458      8.405030
  H       1.021006     -7.820635      8.244323
  H       3.584428     -7.574001      5.525524
  H       2.845109     -8.702185      6.671486
  H       4.616072     -9.362147      8.049817
  H       6.399582     -8.822795      9.688922
  H       7.006462     -6.446687     10.140252
  H       5.797362     -4.619558      8.948424
  H       4.011792     -5.163892      7.319284
  H       2.559774     -5.459996      4.992766
  H       0.587130     -3.970646      5.146404
  N      -4.210207     -2.435005      4.318742
  N      -4.302456     -1.318089      4.818174
  H      -5.194280     -1.165112      5.332427
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041273470121
  N      -3.257878     -3.510303      1.897987
  C      -2.851244     -4.469394      0.872738
  C      -2.560796     -5.804633      1.523951
  N      -3.548958     -6.059810      2.604285
  C      -4.872745     -6.479806      2.073760
  C      -5.953851     -6.183549      3.100278
  N      -5.743768     -4.849931      3.674544
  Mo     -3.940420     -4.087396      3.647469
  N      -2.757488     -4.997605      4.931115
  C      -2.055503     -6.216089      4.511910
  C      -2.997476     -7.003852      3.613186
  H      -1.746877     -6.824895      5.371130
  H      -1.129993     -5.949924      3.976884
  H      -3.833991     -7.387409      4.211884
  H      -2.497298     -7.852800      3.117307
  H      -6.934764     -6.248629      2.601748
  H      -5.956662     -6.947947      3.898436
  H      -5.061153     -5.888588      1.167231
  H      -4.857863     -7.546728      1.794237
  H      -1.939490     -4.117125      0.364127
  H      -3.634547     -4.555964      0.098431
  H      -1.567922     -5.764875      1.990041
  H      -2.567983     -6.629967      0.792914
  C      -3.517794     -1.863027      0.005613
  C      -3.239684     -2.086492      1.491763
  C      -1.913969     -1.411506      1.964315
  C      -0.664475     -2.174574      1.622329
  C      -0.159377     -3.131355      2.517216
  C       0.970774     -3.885770      2.210837
  C       1.646871     -3.706905      0.995275
  C       2.866808     -4.535170      0.645862
  C       3.802839     -4.813453      1.801702
  C       4.315100     -3.762315      2.577762
  C       5.202329     -4.013314      3.624505
  C       5.596771     -5.323091      3.915166
  C       5.091991     -6.376982      3.152194
  C       4.198104     -6.121613      2.107394
  C       1.155656     -2.740225      0.108334
  C       0.020635     -1.985773      0.414940
  C      -7.658288     -5.130570      5.259149
  C      -6.937852     -4.218240      4.266918
  C      -7.880375     -3.680417      3.161045
  C      -8.905689     -2.725305      3.710921
  C     -10.220201     -3.129725      3.982796
  C     -11.142878     -2.245441      4.538169
  C     -10.786209     -0.922421      4.835037
  C     -11.797022      0.033275      5.433717
  C     -12.372933     -0.466776      6.741106
  C     -13.704975     -0.888271      6.829985
  C     -14.224383     -1.373801      8.033592
  C     -13.414967     -1.441255      9.168282
  C     -12.083900     -1.019452      9.092134
  C     -11.568992     -0.538693      7.888474
  C      -9.475012     -0.515747      4.560574
  C      -8.549466     -1.403147      4.008654
  C      -3.495729     -5.937873      7.129254
  C      -2.899084     -4.747694      6.375511
  C      -1.573969     -4.202394      6.989931
  C      -0.375828     -5.103832      6.872804
  C      -0.192910     -6.200067      7.731820
  C       0.884259     -7.068504      7.566466
  C       1.819018     -6.874133      6.539305
  C       2.990634     -7.809865      6.377219
  C       4.152836     -7.517170      7.310846
  C       4.845883     -8.570392      7.921583
  C       5.945091     -8.323459      8.747674
  C       6.365687     -7.012599      8.979428
  C       5.679331     -5.953935      8.378487
  C       4.580919     -6.204387      7.554872
  C       1.654943     -5.765168      5.698892
  C       0.579178     -4.892755      5.868638
  H      -4.449494     -2.356836     -0.303454
  H      -2.701854     -2.221572     -0.636226
  H      -3.633543     -0.785510     -0.172736
  H      -4.046556     -1.587848      2.049414
  H      -1.887752     -0.403773      1.522445
  H      -1.974878     -1.289378      3.055960
  H      -0.658333     -3.270926      3.479015
  H       1.349690     -4.607717      2.937530
  H       3.419497     -4.021216     -0.157665
  H       2.543236     -5.498331      0.216452
  H       4.009214     -2.736330      2.360687
  H       5.589835     -3.183004      4.217788
  H       6.288018     -5.519644      4.736028
  H       5.394363     -7.403161      3.369157
  H       3.807624     -6.950766      1.511966
  H       1.679498     -2.564503     -0.834474
  H      -0.329754     -1.230287     -0.292324
  H      -6.962257     -5.501279      6.025259
  H      -8.457581     -4.570077      5.761962
  H      -8.123165     -5.993482      4.760961
  H      -6.573525     -3.343846      4.823934
  H      -7.252972     -3.167720      2.414891
  H      -8.378390     -4.521723      2.654665
  H     -10.524492     -4.154352      3.754806
  H     -12.158777     -2.586812      4.749820
  H     -11.315967      1.011655      5.586156
  H     -12.619880      0.190822      4.718745
  H     -14.344632     -0.830602      5.945852
  H     -15.266238     -1.695396      8.084293
  H     -13.819163     -1.815968     10.110016
  H     -11.446157     -1.062992      9.977036
  H     -10.526302     -0.214341      7.834320
  H      -9.177964      0.513897      4.774343
  H      -7.535229     -1.055846      3.788950
  H      -4.456264     -6.226702      6.678617
  H      -2.836165     -6.814930      7.137129
  H      -3.679468     -5.655098      8.175000
  H      -3.612226     -3.914139      6.470308
  H      -1.359874     -3.241562      6.499410
  H      -1.791605     -3.989492      8.049146
  H      -0.898014     -6.370190      8.548206
  H       1.009088     -7.911244      8.250738
  H       3.346794     -7.755782      5.334699
  H       2.663285     -8.846526      6.547374
  H       4.517950     -9.598226      7.747289
  H       6.470126     -9.158202      9.215648
  H       7.220273     -6.815920      9.628717
  H       5.996557     -4.925159      8.559167
  H       4.044836     -5.368822      7.100304
  H       2.383282     -5.581889      4.905082
  H       0.476682     -4.032599      5.202899
  N      -4.251065     -2.473510      4.468433
  N      -4.368157     -1.355499      4.960322
  H      -5.269630     -1.213033      5.460892
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042057172360
  N      -3.252071     -3.484409      1.811336
  C      -2.849278     -4.444730      0.785745
  C      -2.563427     -5.781656      1.435217
  N      -3.551556     -6.033082      2.515926
  C      -4.877890     -6.445268      1.986357
  C      -5.954229     -6.149324      3.017608
  N      -5.737887     -4.819367      3.597999
  Mo     -3.932436     -4.060706      3.562654
  N      -2.748036     -4.973859      4.842548
  C      -2.055982     -6.197983      4.422075
  C      -3.003420     -6.980051      3.523830
  H      -1.751868     -6.809505      5.280919
  H      -1.128345     -5.939532      3.887393
  H      -3.841137     -7.361573      4.122260
  H      -2.507431     -7.830864      3.026839
  H      -6.937587     -6.209683      2.523077
  H      -5.955468     -6.917372      3.812322
  H      -5.066269     -5.849253      1.082915
  H      -4.867896     -7.511056      1.702320
  H      -1.937074     -4.095387      0.276120
  H      -3.633700     -4.528545      0.012165
  H      -1.570285     -5.747532      1.901058
  H      -2.574624     -6.605901      0.703047
  C      -3.496909     -1.836919     -0.083920
  C      -3.227193     -2.061127      1.403556
  C      -1.901100     -1.395413      1.886746
  C      -0.655913     -2.171969      1.560027
  C      -0.191993     -3.152757      2.450489
  C       0.928876     -3.925340      2.158111
  C       1.642305     -3.735720      0.966242
  C       2.858854     -4.577515      0.641478
  C       3.734883     -4.910111      1.829471
  C       4.238007     -3.891845      2.654269
  C       5.063275     -4.192096      3.737992
  C       5.402445     -5.519570      4.018365
  C       4.904727     -6.540937      3.208050
  C       4.074570     -6.235967      2.124824
  C       1.193789     -2.744246      0.083898
  C       0.061576     -1.977424      0.372155
  C      -7.627467     -5.125916      5.204589
  C      -6.924020     -4.197142      4.215608
  C      -7.883160     -3.640490      3.133298
  C      -8.902062     -2.698270      3.716431
  C     -10.211043     -3.111722      4.001648
  C     -11.125523     -2.242608      4.593197
  C     -10.765439     -0.926602      4.916599
  C     -11.765844      0.011005      5.560278
  C     -12.319171     -0.526399      6.862657
  C     -13.650158     -0.948228      6.963770
  C     -14.147972     -1.467697      8.162306
  C     -13.317185     -1.570204      9.278915
  C     -11.986559     -1.149271      9.190109
  C     -11.493523     -0.634192      7.991554
  C      -9.460296     -0.510429      4.627866
  C      -8.543389     -1.382183      4.037391
  C      -3.490164     -5.917024      7.037450
  C      -2.892037     -4.725167      6.287985
  C      -1.573882     -4.172950      6.915672
  C      -0.371477     -5.072866      6.834997
  C      -0.205758     -6.158861      7.710027
  C       0.881067     -7.022103      7.583035
  C       1.842893     -6.831906      6.579955
  C       3.027115     -7.758846      6.461085
  C       4.161175     -7.441205      7.419964
  C       4.848083     -8.477746      8.065081
  C       5.922888     -8.206393      8.915068
  C       6.326210     -6.887845      9.134573
  C       5.644957     -5.845700      8.500047
  C       4.570813     -6.120673      7.652478
  C       1.696308     -5.731237      5.725926
  C       0.611800     -4.863441      5.858751
  H      -4.429921     -2.326064     -0.396763
  H      -2.680267     -2.200430     -0.722201
  H      -3.606014     -0.758886     -0.263500
  H      -4.033858     -1.558270      1.957432
  H      -1.859942     -0.386766      1.447936
  H      -1.974132     -1.275406      2.977776
  H      -0.721185     -3.302832      3.394391
  H       1.276268     -4.668897      2.877991
  H       3.455945     -4.050879     -0.121175
  H       2.533638     -5.519899      0.169170
  H       3.975601     -2.852428      2.443579
  H       5.446915     -3.387090      4.367526
  H       6.044763     -5.755049      4.868160
  H       5.163783     -7.580488      3.417904
  H       3.687452     -7.040281      1.494124
  H       1.747589     -2.560268     -0.839935
  H      -0.256284     -1.202643     -0.329603
  H      -6.918786     -5.505557      5.954582
  H      -8.420460     -4.575083      5.727648
  H      -8.097400     -5.983050      4.701050
  H      -6.552306     -3.331139      4.780720
  H      -7.265822     -3.111629      2.390097
  H      -8.386579     -4.472494      2.616812
  H     -10.517605     -4.131463      3.755555
  H     -12.136830     -2.591414      4.814481
  H     -11.281191      0.984305      5.733352
  H     -12.599911      0.191124      4.863499
  H     -14.305854     -0.863850      6.093660
  H     -15.189296     -1.789226      8.223110
  H     -13.704345     -1.972026     10.216650
  H     -11.332412     -1.219982     10.061213
  H     -10.451784     -0.309945      7.926362
  H      -9.161128      0.514213      4.861933
  H      -7.533113     -1.028828      3.809492
  H      -4.447164     -6.207546      6.580519
  H      -2.828594     -6.792754      7.047823
  H      -3.680718     -5.636250      8.082530
  H      -3.608927     -3.894669      6.379382
  H      -1.352136     -3.217288      6.418428
  H      -1.810759     -3.947910      7.968136
  H      -0.932847     -6.325487      8.507737
  H       0.991944     -7.857968      8.278045
  H       3.412358     -7.711739      5.428894
  H       2.705268     -8.797113      6.633160
  H       4.535185     -9.511680      7.898979
  H       6.443232     -9.028114      9.410502
  H       7.163566     -6.672674      9.800279
  H       5.949791     -4.811139      8.668951
  H       4.040998     -5.298743      7.166929
  H       2.447306     -5.547806      4.953345
  H       0.526275     -4.004175      5.190281
  N      -4.232732     -2.445534      4.385134
  N      -4.342493     -1.326070      4.875365
  H      -5.241017     -1.179200      5.379803
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.041591366435
  N      -3.232793     -3.443517      1.801394
  C      -2.828014     -4.394605      0.768185
  C      -2.552279     -5.739680      1.405228
  N      -3.546199     -5.997945      2.478778
  C      -4.870139     -6.402881      1.937876
  C      -5.952221     -6.114238      2.964886
  N      -5.737082     -4.790481      3.559293
  Mo     -3.930027     -4.034564      3.541324
  N      -2.756048     -4.960378      4.821007
  C      -2.061598     -6.180852      4.393319
  C      -3.004399     -6.954102      3.481927
  H      -1.763261     -6.800604      5.248410
  H      -1.130338     -5.918517      3.867113
  H      -3.845885     -7.340831      4.071764
  H      -2.505829     -7.800888      2.980612
  H      -6.932622     -6.168012      2.463566
  H      -5.959939     -6.889768      3.752268
  H      -5.052259     -5.798663      1.038591
  H      -4.860359     -7.466104      1.644405
  H      -1.910354     -4.044344      0.269305
  H      -3.606975     -4.465923     -0.012213
  H      -1.561155     -5.715119      1.875840
  H      -2.563512     -6.556291      0.664544
  C      -3.412818     -1.755117     -0.066381
  C      -3.170662     -2.014243      1.420080
  C      -1.836362     -1.392056      1.938687
  C      -0.605688     -2.189996      1.607657
  C      -0.194510     -3.224305      2.462976
  C       0.903705     -4.023669      2.157061
  C       1.652661     -3.802501      0.992825
  C       2.847073     -4.671108      0.657720
  C       3.655330     -5.125614      1.853585
  C       4.155913     -4.193203      2.775810
  C       4.916920     -4.607164      3.869385
  C       5.197336     -5.964166      4.059152
  C       4.702575     -6.900511      3.150268
  C       3.932222     -6.482334      2.060752
  C       1.261493     -2.753947      0.150089
  C       0.146030     -1.965831      0.446464
  C      -7.621985     -5.121653      5.165270
  C      -6.923613     -4.178447      4.186314
  C      -7.886651     -3.609838      3.113664
  C      -8.907981     -2.679864      3.712257
  C     -10.214484     -3.102950      3.994949
  C     -11.130336     -2.247269      4.603691
  C     -10.774097     -0.935437      4.948049
  C     -11.775367     -0.013036      5.612451
  C     -12.323070     -0.575688      6.906567
  C     -13.653083     -1.000978      7.005485
  C     -14.145027     -1.542963      8.196458
  C     -13.309064     -1.665292      9.307338
  C     -11.979247     -1.241354      9.220555
  C     -11.492270     -0.703600      8.029540
  C      -9.471717     -0.509227      4.661102
  C      -8.553522     -1.367495      4.052804
  C      -3.483951     -5.931037      7.008725
  C      -2.908174     -4.723212      6.267548
  C      -1.603742     -4.146210      6.900789
  C      -0.379188     -5.013923      6.808446
  C      -0.186610     -6.109495      7.665553
  C       0.925874     -6.937995      7.529214
  C       1.888113     -6.700473      6.536317
  C       3.104753     -7.583641      6.414056
  C       4.213809     -7.246985      7.394841
  C       4.928571     -8.272534      8.027130
  C       5.979029     -7.981648      8.900543
  C       6.329456     -6.654487      9.156885
  C       5.618666     -5.623478      8.536981
  C       4.569181     -5.918085      7.665170
  C       1.712973     -5.591117      5.699254
  C       0.600823     -4.760331      5.839482
  H      -4.352659     -2.215283     -0.402057
  H      -2.595861     -2.126354     -0.699864
  H      -3.493144     -0.671480     -0.226503
  H      -3.973090     -1.503347      1.972612
  H      -1.764587     -0.372209      1.530824
  H      -1.923155     -1.302359      3.031665
  H      -0.750577     -3.399240      3.386955
  H       1.208938     -4.813108      2.846423
  H       3.497026     -4.118891     -0.040890
  H       2.503605     -5.562842      0.106199
  H       3.942631     -3.131076      2.633690
  H       5.299840     -3.867844      4.575312
  H       5.791670     -6.288443      4.914245
  H       4.918351     -7.961930      3.287376
  H       3.548691     -7.220506      1.351865
  H       1.844276     -2.545902     -0.750509
  H      -0.129787     -1.149632     -0.225572
  H      -6.909995     -5.509776      5.907713
  H      -8.414056     -4.579217      5.698400
  H      -8.092337     -5.972981      4.652218
  H      -6.552644     -3.319039      4.761795
  H      -7.272202     -3.068246      2.377310
  H      -8.387911     -4.436261      2.586131
  H     -10.518088     -4.119624      3.732994
  H     -12.139582     -2.603659      4.822299
  H     -11.292524      0.958041      5.802630
  H     -12.611580      0.178541      4.921115
  H     -14.312689     -0.901184      6.139976
  H     -15.185717     -1.866832      8.255866
  H     -13.691627     -2.084983     10.239140
  H     -11.321220     -1.327317     10.087388
  H     -10.451569     -0.376393      7.965507
  H      -9.175670      0.512528      4.911310
  H      -7.545243     -1.006842      3.827655
  H      -4.433858     -6.237972      6.547879
  H      -2.804875     -6.793436      7.015546
  H      -3.682476     -5.660503      8.055035
  H      -3.641457     -3.907424      6.362088
  H      -1.405955     -3.180016      6.413757
  H      -1.846130     -3.938593      7.955510
  H      -0.911796     -6.310208      8.457270
  H       1.059571     -7.780466      8.212131
  H       3.502523     -7.498932      5.389356
  H       2.816921     -8.636278      6.557902
  H       4.657754     -9.313179      7.831296
  H       6.522394     -8.795052      9.384890
  H       7.148323     -6.424328      9.840376
  H       5.882243     -4.582624      8.734472
  H       4.017040     -5.105477      7.189009
  H       2.463454     -5.370449      4.935351
  H       0.493989     -3.889368      5.189298
  N      -4.230844     -2.425862      4.376614
  N      -4.340104     -1.309917      4.874762
  H      -5.236680     -1.168795      5.384303
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042200398703
  N      -3.236011     -3.464421      1.818874
  C      -2.829959     -4.422375      0.792343
  C      -2.549723     -5.761886      1.439162
  N      -3.543114     -6.014544      2.514950
  C      -4.866666     -6.425055      1.977072
  C      -5.949100     -6.130680      3.002286
  N      -5.735421     -4.802346      3.587213
  Mo     -3.929397     -4.044393      3.564115
  N      -2.753711     -4.960447      4.849528
  C      -2.059063     -6.183844      4.430671
  C      -3.000909     -6.963676      3.524324
  H      -1.760741     -6.797449      5.290088
  H      -1.127784     -5.924714      3.902751
  H      -3.842290     -7.346677      4.116669
  H      -2.501804     -7.813408      3.028602
  H      -6.929425     -6.189075      2.501450
  H      -5.955915     -6.900630      3.795120
  H      -5.049461     -5.827275      1.073660
  H      -4.855504     -7.490270      1.690957
  H      -1.914277     -4.073248      0.288994
  H      -3.610199     -4.502077      0.014071
  H      -1.558078     -5.731147      1.908537
  H      -2.559688     -6.583988      0.704554
  C      -3.449623     -1.801224     -0.066833
  C      -3.193030     -2.038946      1.420847
  C      -1.863318     -1.391000      1.919129
  C      -0.623505     -2.173403      1.585635
  C      -0.176717     -3.178681      2.457530
  C       0.934548     -3.960515      2.153023
  C       1.657201     -3.753830      0.969686
  C       2.862285     -4.606890      0.631828
  C       3.715640     -4.998051      1.818601
  C       4.228399     -4.019535      2.684612
  C       5.032178     -4.374185      3.768202
  C       5.341724     -5.717170      4.005718
  C       4.834744     -6.699264      3.153574
  C       4.024223     -6.340060      2.072112
  C       1.228077     -2.735950      0.108062
  C       0.103630     -1.961788      0.406620
  C      -7.623910     -5.119413      5.192834
  C      -6.923060     -4.185168      4.207098
  C      -7.883802     -3.626700      3.127203
  C      -8.906743     -2.691752      3.714962
  C     -10.214354     -3.111982      3.996573
  C     -11.132514     -2.250179      4.593036
  C     -10.777624     -0.934900      4.925156
  C     -11.782191     -0.005386      5.574115
  C     -12.337474     -0.555140      6.870482
  C     -13.667955     -0.980012      6.965079
  C     -14.167467     -1.510684      8.157985
  C     -13.338901     -1.621597      9.275446
  C     -12.008774     -1.197749      9.193150
  C     -11.514072     -0.671459      8.000179
  C      -9.473937     -0.511902      4.639904
  C      -8.553319     -1.376361      4.044456
  C      -3.494620     -5.906650      7.044226
  C      -2.903485     -4.711526      6.294482
  C      -1.590617     -4.148613      6.922906
  C      -0.382690     -5.040580      6.842755
  C      -0.207914     -6.123360      7.719800
  C       0.883617     -6.980286      7.590829
  C       1.839436     -6.788119      6.582283
  C       3.027595     -7.709411      6.460950
  C       4.168513     -7.375897      7.405908
  C       4.861113     -8.401292      8.062733
  C       5.942012     -8.115170      8.899996
  C       6.346130     -6.792862      9.094359
  C       5.659465     -5.761824      8.447740
  C       4.579031     -6.051495      7.613085
  C       1.683395     -5.690772      5.725640
  C       0.595332     -4.828028      5.862127
  H      -4.385756     -2.277711     -0.389740
  H      -2.632581     -2.169446     -0.701879
  H      -3.545381     -0.720797     -0.239542
  H      -3.998191     -1.531705      1.972794
  H      -1.811649     -0.376415      1.495387
  H      -1.940183     -1.286305      3.011507
  H      -0.713293     -3.342335      3.394971
  H       1.267847     -4.726080      2.856186
  H       3.479107     -4.066144     -0.104741
  H       2.524723     -5.525842      0.123245
  H       3.990473     -2.968171      2.506594
  H       5.423222     -3.599603      4.430486
  H       5.967557     -5.995157      4.854961
  H       5.071149     -7.750483      3.329407
  H       3.630422     -7.113788      1.408164
  H       1.789716     -2.538893     -0.808308
  H      -0.200501     -1.167944     -0.279761
  H      -6.913734     -5.501117      5.940340
  H      -8.417194     -4.572243      5.719280
  H      -8.093122     -5.975105      4.686187
  H      -6.553199     -3.320417      4.775387
  H      -7.268049     -3.091670      2.387114
  H      -8.383747     -4.457936      2.606170
  H     -10.516930     -4.131249      3.743679
  H     -12.142623     -2.604242      4.811386
  H     -11.300681      0.967754      5.756601
  H     -12.614935      0.178195      4.876648
  H     -14.322032     -0.889093      6.094405
  H     -15.208390     -1.834426      8.213732
  H     -13.727398     -2.032268     10.208786
  H     -11.356372     -1.274995     10.065009
  H     -10.472751     -0.344907      7.940048
  H      -9.178837      0.512340      4.880775
  H      -7.544211     -1.017820      3.819620
  H      -4.448638     -6.204430      6.585760
  H      -2.826888     -6.777657      7.057104
  H      -3.689284     -5.626122      8.088618
  H      -3.626193     -3.885801      6.383335
  H      -1.375303     -3.192579      6.423484
  H      -1.829762     -3.923271      7.974778
  H      -0.931112     -6.292130      8.520618
  H       1.002551     -7.813253      8.287968
  H       3.403408     -7.669375      5.425161
  H       2.712971     -8.747842      6.645106
  H       4.547783     -9.438007      7.915978
  H       6.466793     -8.928205      9.404992
  H       7.188381     -6.566161      9.749985
  H       5.965302     -4.724474      8.596545
  H       4.045926     -5.238312      7.116507
  H       2.429505     -5.505369      4.948520
  H       0.502653     -3.968906      5.194479
  N      -4.232786     -2.430599      4.388326
  N      -4.342863     -1.311139      4.878567
  H      -5.239798     -1.166352      5.386498
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042218818593
  N      -3.251888     -3.488456      1.790715
  C      -2.848325     -4.448184      0.764904
  C      -2.568501     -5.787080      1.413259
  N      -3.560093     -6.036979      2.491241
  C      -4.885195     -6.447039      1.956757
  C      -5.965032     -6.150373      2.984032
  N      -5.748347     -4.821697      3.566775
  Mo     -3.941927     -4.065220      3.538195
  N      -2.764164     -4.980486      4.822378
  C      -2.071655     -6.205053      4.403256
  C      -3.016825     -6.985200      3.500703
  H      -1.771587     -6.817736      5.262724
  H      -1.141607     -5.947739      3.872428
  H      -3.857191     -7.365846      4.096037
  H      -2.520124     -7.836458      3.005234
  H      -6.946560     -6.208139      2.485432
  H      -5.971050     -6.919371      3.777792
  H      -5.069546     -5.850410      1.052901
  H      -4.875617     -7.512654      1.672088
  H      -1.933379     -4.100650      0.259155
  H      -3.630057     -4.528637     -0.011825
  H      -1.575947     -5.756856      1.880509
  H      -2.581136     -6.610338      0.679988
  C      -3.461415     -1.833249     -0.101480
  C      -3.214573     -2.063863      1.388911
  C      -1.893573     -1.404310      1.894836
  C      -0.644518     -2.178246      1.576826
  C      -0.194376     -3.171702      2.460423
  C       0.930160     -3.941044      2.173238
  C       1.662298     -3.733763      0.995687
  C       2.883003     -4.572513      0.678254
  C       3.730701     -4.939694      1.876777
  C       4.221151     -3.946255      2.738640
  C       5.022643     -4.279333      3.830887
  C       5.351952     -5.615131      4.081646
  C       4.865944     -6.612099      3.234449
  C       4.058096     -6.274551      2.144086
  C       1.228363     -2.728622      0.121623
  C       0.091604     -1.966385      0.403435
  C      -7.627903     -5.133875      5.184162
  C      -6.933049     -4.203067      4.190834
  C      -7.900639     -3.649156      3.114748
  C      -8.914904     -2.706203      3.704790
  C     -10.220542     -3.120222      4.004131
  C     -11.129138     -2.251241      4.604912
  C     -10.766551     -0.934589      4.922982
  C     -11.759633      0.001887      5.579486
  C     -12.287922     -0.532089      6.893663
  C     -13.616455     -0.954290      7.021715
  C     -14.090818     -1.470067      8.231323
  C     -13.238644     -1.568632      9.332121
  C     -11.910172     -1.147454      9.216323
  C     -11.440650     -0.636050      8.006816
  C      -9.465252     -0.517365      4.618679
  C      -8.553967     -1.389256      4.019747
  C      -3.500709     -5.926912      7.018269
  C      -2.912285     -4.731319      6.267377
  C      -1.600276     -4.166097      6.895745
  C      -0.390609     -5.055961      6.814632
  C      -0.218609     -6.144695      7.684801
  C       0.875212     -6.998692      7.555715
  C       1.838478     -6.795118      6.556562
  C       3.031315     -7.710567      6.437493
  C       4.158870     -7.386972      7.401758
  C       4.850655     -8.420231      8.047009
  C       5.918679     -8.143067      8.903580
  C       6.309795     -6.821942      9.130053
  C       5.622923     -5.783122      8.496271
  C       4.555741     -6.063906      7.641679
  C       1.685742     -5.691416      5.707502
  C       0.592931     -4.834120      5.841247
  H      -4.392110     -2.316614     -0.429857
  H      -2.637128     -2.198834     -0.728667
  H      -3.562415     -0.754066     -0.278954
  H      -4.026948     -1.559823      1.933177
  H      -1.846187     -0.391519      1.466347
  H      -1.980538     -1.294413      2.986012
  H      -0.736926     -3.333578      3.394635
  H       1.266487     -4.696373      2.886174
  H       3.499285     -4.030740     -0.058018
  H       2.563378     -5.501173      0.175674
  H       3.968557     -2.900182      2.549966
  H       5.396472     -3.493081      4.489410
  H       5.975615     -5.876120      4.937636
  H       5.118060     -7.657938      3.420183
  H       3.682487     -7.059706      1.483061
  H       1.797017     -2.530738     -0.790270
  H      -0.215128     -1.181052     -0.291562
  H      -6.913271     -5.513283      5.928576
  H      -8.417715     -4.584608      5.713663
  H      -8.100676     -5.991084      4.683359
  H      -6.560265     -3.336307      4.753994
  H      -7.289805     -3.121778      2.365164
  H      -8.408083     -4.482541      2.604475
  H     -10.528822     -4.140562      3.762680
  H     -12.137628     -2.600586      4.837928
  H     -11.275822      0.977682      5.740481
  H     -12.606187      0.175750      4.896302
  H     -14.288947     -0.872955      6.164219
  H     -15.130635     -1.791849      8.313186
  H     -13.607494     -1.967656     10.278403
  H     -11.239295     -1.215149     10.074867
  H     -10.400468     -0.311691      7.920475
  H      -9.164368      0.507774      4.848345
  H      -7.546440     -1.035437      3.780703
  H      -4.453558     -6.228247      6.559723
  H      -2.830417     -6.795957      7.033367
  H      -3.696925     -5.645057      8.062014
  H      -3.636471     -3.906832      6.356382
  H      -1.386769     -3.208733      6.398020
  H      -1.840064     -3.943066      7.947934
  H      -0.946150     -6.320903      8.480126
  H       0.992055     -7.835944      8.248064
  H       3.419971     -7.653992      5.407125
  H       2.718188     -8.752692      6.602491
  H       4.547485     -9.456059      7.874740
  H       6.443626     -8.962286      9.398323
  H       7.141790     -6.602180      9.800980
  H       5.918202     -4.746716      8.670896
  H       4.021820     -5.244745      7.156036
  H       2.438082     -5.497439      4.938410
  H       0.503174     -3.969453      5.180188
  N      -4.243357     -2.450340      4.361340
  N      -4.353949     -1.330935      4.851502
  H      -5.250565     -1.187411      5.360571
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042236680840
  N      -3.239314     -3.470893      1.797499
  C      -2.835400     -4.431624      0.772718
  C      -2.559023     -5.770791      1.421908
  N      -3.552960     -6.019051      2.497990
  C      -4.877397     -6.428136      1.961138
  C      -5.958978     -6.130839      2.986335
  N      -5.742519     -4.802405      3.569719
  Mo     -3.935537     -4.046566      3.543260
  N      -2.760628     -4.961614      4.829752
  C      -2.067839     -6.186584      4.412635
  C      -3.011900     -6.966851      3.509011
  H      -1.769968     -6.799017      5.273064
  H      -1.136486     -5.930216      3.883506
  H      -3.853337     -7.347204      4.103006
  H      -2.514463     -7.818473      3.014870
  H      -6.939564     -6.187868      2.485775
  H      -5.967091     -6.899933      3.779976
  H      -5.059385     -5.831044      1.057098
  H      -4.868138     -7.493662      1.676147
  H      -1.918670     -4.085847      0.268974
  H      -3.615535     -4.510698     -0.005732
  H      -1.567436     -5.741776      1.891290
  H      -2.571212     -6.594227      0.688821
  C      -3.438568     -1.811653     -0.092692
  C      -3.192286     -2.046312      1.397179
  C      -1.865456     -1.398544      1.902711
  C      -0.623530     -2.182355      1.580912
  C      -0.180044     -3.180942      2.462038
  C       0.937282     -3.959609      2.171599
  C       1.668127     -3.757515      0.992340
  C       2.880288     -4.606731      0.668598
  C       3.723654     -4.994181      1.863617
  C       4.232248     -4.013111      2.729256
  C       5.031885     -4.364315      3.817085
  C       5.341164     -5.706450      4.059794
  C       4.836987     -6.691176      3.208931
  C       4.030796     -6.335357      2.123044
  C       1.240444     -2.747835      0.120253
  C       0.111288     -1.975837      0.405742
  C      -7.619024     -5.118263      5.189780
  C      -6.927068     -4.185647      4.196116
  C      -7.896733     -3.632415      3.121535
  C      -8.916955     -2.697523      3.714138
  C     -10.221259     -3.119643      4.008006
  C     -11.136236     -2.257841      4.609412
  C     -10.781457     -0.940627      4.934005
  C     -11.782415     -0.011343      5.588845
  C     -12.321840     -0.556157      6.893992
  C     -13.650774     -0.981569      7.006232
  C     -14.135740     -1.507169      8.207388
  C     -13.293935     -1.612397      9.315479
  C     -11.965188     -1.187985      9.215529
  C     -11.485036     -0.666801      8.014405
  C      -9.481238     -0.515651      4.636117
  C      -8.563710     -1.380202      4.036072
  C      -3.498172     -5.905264      7.026487
  C      -2.909252     -4.710678      6.274373
  C      -1.596507     -4.145615      6.900964
  C      -0.387462     -5.036110      6.818017
  C      -0.213509     -6.123772      7.689116
  C       0.879589     -6.978394      7.557926
  C       1.839800     -6.776779      6.555468
  C       3.032156     -7.692614      6.434523
  C       4.163248     -7.365638      7.393513
  C       4.854139     -8.395985      8.044254
  C       5.925697     -8.115479      8.895386
  C       6.321346     -6.793874      9.110727
  C       5.635370     -5.757824      8.471398
  C       4.564662     -6.041941      7.622444
  C       1.684728     -5.674623      5.704837
  C       0.592959     -4.816454      5.840934
  H      -4.373432     -2.287112     -0.420728
  H      -2.617975     -2.183009     -0.721275
  H      -3.531033     -0.731464     -0.268646
  H      -4.000038     -1.536616      1.943105
  H      -1.810376     -0.385219      1.476346
  H      -1.950123     -1.290525      2.994241
  H      -0.722116     -3.339267      3.397106
  H       1.268905     -4.718934      2.882521
  H       3.502665     -4.064100     -0.061860
  H       2.551322     -5.526899      0.156509
  H       3.995603     -2.962256      2.546541
  H       5.419852     -3.587604      4.478738
  H       5.963328     -5.981528      4.912455
  H       5.073778     -7.741745      3.388015
  H       3.640988     -7.111057      1.459092
  H       1.808325     -2.554056     -0.793016
  H      -0.190493     -1.187233     -0.287703
  H      -6.902669     -5.496465      5.933157
  H      -8.409346     -4.570986      5.720535
  H      -8.090545     -5.976289      4.689207
  H      -6.554842     -3.318581      4.759230
  H      -7.287590     -3.098697      2.375061
  H      -8.399068     -4.466284      2.607053
  H     -10.523653     -4.140441      3.761106
  H     -12.143705     -2.613254      4.837587
  H     -11.302491      0.964431      5.761224
  H     -12.623177      0.165671      4.899334
  H     -14.315138     -0.895114      6.142927
  H     -15.175685     -1.831419      8.276914
  H     -13.671051     -2.019106     10.255208
  H     -11.302472     -1.260809     10.079970
  H     -10.444756     -0.339747      7.940449
  H      -9.186413      0.510075      4.870959
  H      -7.557316     -1.020289      3.801502
  H      -4.450601     -6.207207      6.567485
  H      -2.828029     -6.774342      7.043548
  H      -3.695309     -5.622014      8.069686
  H      -3.633150     -3.885872      6.362712
  H      -1.383262     -3.188821      6.402115
  H      -1.834839     -3.921726      7.953320
  H      -0.938558     -6.298412      8.487023
  H       0.998250     -7.814798      8.250999
  H       3.416981     -7.638776      5.402542
  H       2.719876     -8.734224      6.604093
  H       4.547447     -9.432217      7.880899
  H       6.449894     -8.932448      9.394617
  H       7.156128     -6.571610      9.777348
  H       5.933898     -4.720950      8.637471
  H       4.031089     -5.224908      7.132849
  H       2.433804     -5.482412      4.932204
  H       0.500708     -3.953305      5.178173
  N      -4.236279     -2.430843      4.364930
  N      -4.345538     -1.310128      4.852401
  H      -5.239907     -1.165923      5.365173
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042238921488
  N      -3.242260     -3.473886      1.800887
  C      -2.834573     -4.433773      0.776851
  C      -2.554228     -5.771742      1.426986
  N      -3.547632     -6.022516      2.503056
  C      -4.870677     -6.436113      1.966196
  C      -5.953535     -6.141338      2.990854
  N      -5.740915     -4.812020      3.573537
  Mo     -3.936301     -4.050760      3.547099
  N      -2.758786     -4.961726      4.834285
  C      -2.062072     -6.184643      4.417691
  C      -3.003879     -6.968265      3.514609
  H      -1.761913     -6.795549      5.278399
  H      -1.131735     -5.925420      3.888173
  H      -3.844188     -7.350367      4.109069
  H      -2.504129     -7.818853      3.021018
  H      -6.933695     -6.201192      2.489790
  H      -5.960086     -6.910043      3.784886
  H      -5.054288     -5.840336      1.061609
  H      -4.858037     -7.501822      1.682022
  H      -1.918632     -4.085288      0.273493
  H      -3.613908     -4.515878     -0.002087
  H      -1.562774     -5.739369      1.896483
  H      -2.563827     -6.595682      0.694430
  C      -3.446224     -1.814944     -0.089735
  C      -3.200752     -2.049048      1.400388
  C      -1.876811     -1.396896      1.907162
  C      -0.632195     -2.175094      1.582566
  C      -0.188433     -3.179015      2.457321
  C       0.931565     -3.952652      2.163975
  C       1.665730     -3.738976      0.988912
  C       2.883239     -4.580077      0.664763
  C       3.720772     -4.974367      1.861585
  C       4.214828     -3.999473      2.742383
  C       5.006917     -4.357196      3.833655
  C       5.323934     -5.699628      4.064156
  C       4.835267     -6.678221      3.197262
  C       4.035615     -6.316123      2.108647
  C       1.237477     -2.724268      0.122974
  C       0.104712     -1.958357      0.410524
  C      -7.617521     -5.128808      5.193551
  C      -6.927787     -4.197133      4.197423
  C      -7.898615     -3.650186      3.120652
  C      -8.918240     -2.711951      3.709019
  C     -10.222386     -3.132160      4.006260
  C     -11.136924     -2.266597      4.602928
  C     -10.781851     -0.947483      4.919258
  C     -11.782269     -0.014284      5.569186
  C     -12.314216     -0.547580      6.882175
  C     -13.642040     -0.973441      7.005330
  C     -14.120249     -1.488130      8.213891
  C     -13.272737     -1.581786      9.318652
  C     -11.945038     -1.156823      9.207822
  C     -11.471621     -0.646596      7.999339
  C      -9.481717     -0.524466      4.618130
  C      -8.564613     -1.392765      4.022873
  C      -3.496906     -5.904967      7.031250
  C      -2.907723     -4.710681      6.278828
  C      -1.594730     -4.145972      6.905344
  C      -0.386175     -5.037398      6.822506
  C      -0.212091     -6.124218      7.694718
  C       0.879856     -6.980240      7.563049
  C       1.838246     -6.781655      6.558300
  C       3.028115     -7.700451      6.435173
  C       4.161731     -7.377028      7.392296
  C       4.853445     -8.409996      8.038092
  C       5.927593     -8.133089      8.887097
  C       6.325161     -6.812501      9.105165
  C       5.638772     -5.773946      8.470373
  C       4.565369     -6.054453      7.623586
  C       1.683479     -5.680086      5.706822
  C       0.593420     -4.819819      5.844099
  H      -4.379033     -2.293444     -0.419159
  H      -2.623480     -2.183310     -0.717221
  H      -3.542153     -0.735042     -0.265568
  H      -4.010967     -1.542491      1.945666
  H      -1.826016     -0.382120      1.483749
  H      -1.961452     -1.292514      2.999038
  H      -0.732786     -3.345793      3.389602
  H       1.263000     -4.716209      2.870329
  H       3.507784     -4.028422     -0.057047
  H       2.561398     -5.497125      0.142630
  H       3.971534     -2.948410      2.569892
  H       5.382741     -3.585129      4.507625
  H       5.939893     -5.979827      4.919681
  H       5.078308     -7.729006      3.366443
  H       3.657162     -7.087135      1.432782
  H       1.807684     -2.521731     -0.786938
  H      -0.197580     -1.165712     -0.278070
  H      -6.900437     -5.503102      5.938173
  H      -8.409410     -4.582090      5.722580
  H      -8.086769     -5.989396      4.695208
  H      -6.558434     -3.327299      4.758061
  H      -7.290633     -3.120618      2.370317
  H      -8.401496     -4.487027      2.611597
  H     -10.525131     -4.154276      3.765330
  H     -12.144452     -2.620329      4.833508
  H     -11.304212      0.964402      5.729774
  H     -12.626753      0.153359      4.881978
  H     -14.310974     -0.895968      6.144693
  H     -15.159453     -1.812838      8.291807
  H     -13.644594     -1.979886     10.264140
  H     -11.277810     -1.220662     10.069497
  H     -10.432030     -0.319255      7.917090
  H      -9.186718      0.502713      4.846286
  H      -7.558441     -1.034178      3.785289
  H      -4.448731     -6.207859      6.571652
  H      -2.826347     -6.773660      7.049906
  H      -3.695240     -5.620764      8.073971
  H      -3.631589     -3.885763      6.366799
  H      -1.380915     -3.189535      6.406094
  H      -1.832700     -3.921431      7.957651
  H      -0.935906     -6.296971      8.494115
  H       0.998328     -7.816014      8.256913
  H       3.411177     -7.647324      5.402558
  H       2.713449     -8.741328      6.604902
  H       4.545149     -9.445390      7.872505
  H       6.452235     -8.952047      9.382596
  H       7.161877     -6.592933      9.770250
  H       5.939065     -4.737915      8.638458
  H       4.031593     -5.235420      7.137530
  H       2.431782     -5.490098      4.932853
  H       0.501264     -3.957581      5.180187
  N      -4.242843     -2.435808      4.368308
  N      -4.357164     -1.315636      4.855895
  H      -5.252540     -1.175433      5.368079
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042242029062
  N      -3.243063     -3.478503      1.801636
  C      -2.836285     -4.437703      0.776599
  C      -2.558010     -5.776826      1.425207
  N      -3.552353     -6.027685      2.500426
  C      -4.875491     -6.439159      1.962213
  C      -5.958668     -6.144553      2.986555
  N      -5.744832     -4.816298      3.571155
  Mo     -3.939396     -4.056762      3.546553
  N      -2.763574     -4.970285      4.833421
  C      -2.068088     -6.193618      4.415816
  C      -3.010297     -6.975153      3.511287
  H      -1.769285     -6.805888      5.276034
  H      -1.137085     -5.935034      3.887230
  H      -3.851383     -7.356903      4.104868
  H      -2.511244     -7.825814      3.017105
  H      -6.938548     -6.202557      2.484725
  H      -5.966692     -6.914329      3.779537
  H      -5.057883     -5.841923      1.058330
  H      -4.863840     -7.504487      1.676566
  H      -1.919703     -4.089876      0.273968
  H      -3.615445     -4.517842     -0.002733
  H      -1.566775     -5.746306      1.895261
  H      -2.568276     -6.599828      0.691613
  C      -3.446029     -1.818633     -0.088017
  C      -3.201363     -2.053382      1.402110
  C      -1.877909     -1.400661      1.909776
  C      -0.632232     -2.177212      1.585061
  C      -0.185430     -3.178848      2.460887
  C       0.935968     -3.950526      2.167605
  C       1.668389     -3.737198      0.991435
  C       2.887060     -4.576474      0.666830
  C       3.725806     -4.969211      1.863249
  C       4.221023     -3.993058      2.742039
  C       5.014062     -4.349248      3.833093
  C       5.330891     -5.691399      4.065441
  C       4.841035     -6.671219      3.200627
  C       4.040572     -6.310641      2.112101
  C       1.237214     -2.724592      0.124482
  C       0.103398     -1.960346      0.412213
  C      -7.622809     -5.133031      5.189573
  C      -6.931352     -4.200860      4.195131
  C      -7.900869     -3.651037      3.118594
  C      -8.918495     -2.711015      3.707545
  C     -10.223618     -3.128518      4.004320
  C     -11.136277     -2.261315      4.601482
  C     -10.778237     -0.943261      4.918886
  C     -11.776530     -0.008479      5.569721
  C     -12.307385     -0.540579      6.883661
  C     -13.635963     -0.963412      7.009090
  C     -14.113328     -1.476902      8.218495
  C     -13.264190     -1.572387      9.321845
  C     -11.935693     -1.150526      9.208718
  C     -11.463124     -0.641497      7.999399
  C      -9.477119     -0.522948      4.618244
  C      -8.561919     -1.392866      4.022428
  C      -3.501785     -5.918024      7.028264
  C      -2.913769     -4.721612      6.278290
  C      -1.602395     -4.155571      6.907235
  C      -0.391189     -5.043242      6.822953
  C      -0.214506     -6.132044      7.692158
  C       0.880400     -6.984105      7.559218
  C       1.839298     -6.779367      6.556203
  C       3.032468     -7.693685      6.431637
  C       4.163757     -7.369966      7.391398
  C       4.861227     -8.403216      8.030519
  C       5.933677     -8.125822      8.881496
  C       6.323766     -6.804468      9.108287
  C       5.631511     -5.765662      8.480319
  C       4.559836     -6.046673      7.631506
  C       1.681961     -5.675643      5.707968
  C       0.588971     -4.819336      5.846567
  H      -4.378554     -2.297149     -0.418239
  H      -2.622810     -2.186544     -0.715154
  H      -3.542049     -0.738662     -0.263388
  H      -4.012049     -1.547320      1.947134
  H      -1.827947     -0.385634      1.486877
  H      -1.962870     -1.296813      3.001683
  H      -0.728383     -3.345332      3.394042
  H       1.269581     -4.712450      2.874672
  H       3.510432     -4.023789     -0.055223
  H       2.566464     -5.494025      0.144834
  H       3.977909     -2.942198      2.568048
  H       5.390765     -3.576219      4.505478
  H       5.947378     -5.970404      4.920984
  H       5.083776     -7.721829      3.371342
  H       3.661125     -7.082663      1.437944
  H       1.805903     -2.522385     -0.786453
  H      -0.201239     -1.169370     -0.277269
  H      -6.906708     -5.508763      5.934403
  H      -8.414681     -4.586204      5.718530
  H      -8.092351     -5.992659      4.689840
  H      -6.561259     -3.332252      4.757152
  H      -7.291627     -3.122102      2.368842
  H      -8.405492     -4.486330      2.608741
  H     -10.528642     -4.149771      3.762607
  H     -12.144647     -2.612909      4.831675
  H     -11.297018      0.969663      5.729286
  H     -12.621787      0.159896      4.883660
  H     -14.306150     -0.884525      6.149554
  H     -15.153137     -1.799236      8.298172
  H     -13.635363     -1.969547     10.267996
  H     -11.267151     -1.215879     10.069261
  H     -10.422881     -0.316672      7.915378
  H      -9.179813      0.503372      4.847268
  H      -7.554886     -1.036407      3.785287
  H      -4.452142     -6.222417      6.566659
  H      -2.829429     -6.785349      7.047159
  H      -3.702542     -5.635380      8.070954
  H      -3.639010     -3.898001      6.366946
  H      -1.390684     -3.197158      6.410893
  H      -1.841662     -3.934555      7.959988
  H      -0.938580     -6.309524      8.490292
  H       1.000779     -7.821546      8.250744
  H       3.416831     -7.635461      5.399781
  H       2.721172     -8.736270      6.597104
  H       4.558834     -9.439238      7.858086
  H       6.462868     -8.945038      9.371702
  H       7.159179     -6.584553      9.774892
  H       5.925896     -4.729073      8.655272
  H       4.021476     -5.227490      7.150782
  H       2.430887     -5.480563      4.935873
  H       0.494930     -3.955265      5.185297
  N      -4.245309     -2.442589      4.369558
  N      -4.360240     -1.323094      4.858542
  H      -5.256104     -1.183664      5.370101
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042242881927
  N      -3.239434     -3.471275      1.789857
  C      -2.833599     -4.432477      0.766356
  C      -2.556549     -5.770871      1.416979
  N      -3.550876     -6.018869      2.492844
  C      -4.874553     -6.429765      1.955412
  C      -5.957317     -6.132808      2.979500
  N      -5.742038     -4.804208      3.562782
  Mo     -3.936073     -4.046132      3.536025
  N      -2.760095     -4.958156      4.823677
  C      -2.066502     -6.183390      4.408372
  C      -3.009857     -6.965257      3.505321
  H      -1.768527     -6.794438      5.269778
  H      -1.135157     -5.927284      3.879141
  H      -3.851404     -7.344837      4.099647
  H      -2.512005     -7.817444      3.012564
  H      -6.937304     -6.190224      2.477804
  H      -5.966114     -6.901766      3.773255
  H      -5.056451     -5.833695      1.050660
  H      -4.863985     -7.495518      1.671319
  H      -1.916617     -4.086253      0.263367
  H      -3.612737     -4.512951     -0.012975
  H      -1.565092     -5.740538      1.886585
  H      -2.567964     -6.595019      0.684695
  C      -3.438008     -1.813945     -0.102261
  C      -3.194573     -2.046870      1.388368
  C      -1.869967     -1.395439      1.895553
  C      -0.625642     -2.175727      1.574422
  C      -0.179740     -3.172842      2.455890
  C       0.939094     -3.949412      2.165594
  C       1.669778     -3.745639      0.986699
  C       2.884059     -4.591921      0.663537
  C       3.721858     -4.986605      1.859930
  C       4.226249     -4.011012      2.734167
  C       5.019313     -4.369100      3.824575
  C       5.326784     -5.712722      4.061050
  C       4.827383     -6.691989      3.201080
  C       4.027229     -6.329420      2.112992
  C       1.240154     -2.736865      0.114455
  C       0.109123     -1.967502      0.399461
  C      -7.612907     -5.122736      5.188808
  C      -6.926569     -4.189731      4.191616
  C      -7.901323     -3.640760      3.119478
  C      -8.919812     -2.705179      3.714034
  C     -10.223665     -3.126538      4.010897
  C     -11.137027     -2.263887      4.613547
  C     -10.780954     -0.946653      4.936564
  C     -11.780084     -0.016786      5.593133
  C     -12.313408     -0.558876      6.901966
  C     -13.642395     -0.982104      7.021675
  C     -14.122196     -1.504932      8.226106
  C     -13.275100     -1.609533      9.330196
  C     -11.946209     -1.187393      9.222783
  C     -11.471217     -0.669018      8.018390
  C      -9.481133     -0.522491      4.635827
  C      -8.565254     -1.387841      4.034469
  C      -3.496536     -5.898462      7.022087
  C      -2.907233     -4.705263      6.268049
  C      -1.593482     -4.140273      6.892566
  C      -0.385734     -5.032993      6.813688
  C      -0.213793     -6.117113      7.689639
  C       0.878255     -6.973682      7.562970
  C       1.838735     -6.778525      6.559497
  C       3.029806     -7.696901      6.443735
  C       4.157097     -7.370653      7.407299
  C       4.839977     -8.400841      8.066727
  C       5.907736     -8.120846      8.922788
  C       6.307703     -6.799907      9.134171
  C       5.629949     -5.764007      8.485847
  C       4.562889     -6.047578      7.632152
  C       1.685668     -5.680083      5.703703
  C       0.595639     -4.819021      5.836332
  H      -4.371227     -2.291223     -0.432321
  H      -2.615134     -2.184328     -0.728401
  H      -3.531911     -0.734060     -0.279297
  H      -4.004692     -1.538494      1.932035
  H      -1.817547     -0.381899      1.469406
  H      -1.955585     -1.287810      2.987030
  H      -0.721705     -3.331690      3.390982
  H       1.271331     -4.708378      2.876470
  H       3.509822     -4.044047     -0.060129
  H       2.558275     -5.508801      0.143550
  H       3.990710     -2.958976      2.556930
  H       5.403312     -3.596409      4.493223
  H       5.943483     -5.993143      4.916008
  H       5.062787     -7.743764      3.374868
  H       3.640652     -7.101029      1.442432
  H       1.807770     -2.542090     -0.798769
  H      -0.194506     -1.179996     -0.294415
  H      -6.893088     -5.498481      5.930036
  H      -8.402623     -4.576721      5.721815
  H      -8.084376     -5.982327      4.690810
  H      -6.554814     -3.320735      4.751975
  H      -7.296258     -3.108629      2.368588
  H      -8.405457     -4.476439      2.609816
  H     -10.526971     -4.147411      3.765421
  H     -12.144215     -2.618586      4.844114
  H     -11.300787      0.960081      5.760890
  H     -12.624287      0.156842      4.907037
  H     -14.310986     -0.896215      6.161570
  H     -15.162280     -1.827463      8.301315
  H     -13.648141     -2.014051     10.272490
  H     -11.279225     -1.259909     10.083963
  H     -10.430643     -0.344082      7.938889
  H      -9.185254      0.503181      4.869569
  H      -7.559136     -1.028465      3.797904
  H      -4.448907     -6.201059      6.563454
  H      -2.826588     -6.767662      7.040912
  H      -3.693903     -5.613289      8.064748
  H      -3.630341     -3.879728      6.355869
  H      -1.378476     -3.185877      6.389917
  H      -1.831383     -3.911656      7.944012
  H      -0.939042     -6.286976      8.488371
  H       0.995384     -7.807019      8.259996
  H       3.418702     -7.644861      5.413311
  H       2.715004     -8.737733      6.613502
  H       4.529721     -9.436478      7.906373
  H       6.425600     -8.937644      9.428863
  H       7.139535     -6.577936      9.804563
  H       5.932128     -4.727677      8.648643
  H       4.035556     -5.230610      7.135622
  H       2.435310     -5.492453      4.930463
  H       0.505140     -3.958543      5.169878
  N      -4.238610     -2.429946      4.356413
  N      -4.348376     -1.307967      4.840990
  H      -5.240470     -1.164932      5.358118
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042244919600
  N      -3.240129     -3.474289      1.793227
  C      -2.832774     -4.435067      0.769938
  C      -2.555472     -5.773406      1.420599
  N      -3.550554     -6.022236      2.495585
  C      -4.873462     -6.434091      1.957063
  C      -5.957208     -6.138271      2.980445
  N      -5.743250     -4.809710      3.564254
  Mo     -3.937892     -4.049975      3.538723
  N      -2.762084     -4.961158      4.827093
  C      -2.067185     -6.185692      4.411846
  C      -3.009475     -6.968274      3.508304
  H      -1.769123     -6.796625      5.273271
  H      -1.135803     -5.928676      3.883145
  H      -3.851034     -7.348492      4.102206
  H      -2.510699     -7.820069      3.015806
  H      -6.936770     -6.196199      2.477958
  H      -5.966114     -6.907474      3.773960
  H      -5.055165     -5.837824      1.052400
  H      -4.861814     -7.499729      1.672578
  H      -1.915585     -4.088239      0.267707
  H      -3.611193     -4.515977     -0.010054
  H      -1.564462     -5.742652      1.891111
  H      -2.565769     -6.597433      0.688170
  C      -3.440113     -1.817158     -0.099050
  C      -3.197265     -2.049852      1.391708
  C      -1.873877     -1.397061      1.899668
  C      -0.628444     -2.175027      1.577370
  C      -0.181969     -3.173939      2.456448
  C       0.939058     -3.947196      2.165658
  C       1.671022     -3.738564      0.988421
  C       2.888326     -4.580469      0.664951
  C       3.724316     -4.977373      1.861834
  C       4.225633     -4.003491      2.739761
  C       5.016913     -4.363458      3.830831
  C       5.325747     -5.707293      4.064275
  C       4.829502     -6.684867      3.200570
  C       4.031080     -6.320437      2.111825
  C       1.240016     -2.728805      0.117985
  C       0.107003     -1.962631      0.403538
  C      -7.615686     -5.128598      5.188489
  C      -6.928914     -4.195763      4.191447
  C      -7.902943     -3.648128      3.117930
  C      -8.920911     -2.710660      3.710418
  C     -10.225009     -3.130599      4.008212
  C     -11.137952     -2.265965      4.608656
  C     -10.781218     -0.948125      4.928432
  C     -11.779853     -0.016331      5.582936
  C     -12.308634     -0.552560      6.896072
  C     -13.637206     -0.975207      7.022245
  C     -14.112954     -1.492401      8.230709
  C     -13.262143     -1.591884      9.332410
  C     -11.933612     -1.170305      9.218525
  C     -11.462672     -0.657567      8.010137
  C      -9.481137     -0.525382      4.626775
  C      -8.565654     -1.392728      4.027671
  C      -3.499706     -5.903431      7.024462
  C      -2.910689     -4.709336      6.271592
  C      -1.597880     -4.144073      6.897893
  C      -0.389001     -5.035151      6.817263
  C      -0.215469     -6.120896      7.690906
  C       0.877327     -6.976205      7.561867
  C       1.837120     -6.777976      6.558370
  C       3.028592     -7.695335      6.439074
  C       4.157086     -7.371399      7.402002
  C       4.845551     -8.403651      8.052339
  C       5.914937     -8.125762      8.907041
  C       6.310953     -6.804901      9.126233
  C       5.627606     -5.766993      8.487067
  C       4.558976     -6.048480      7.634635
  C       1.682735     -5.677596      5.705304
  C       0.591820     -4.818006      5.840054
  H      -4.372602     -2.295445     -0.429706
  H      -2.616413     -2.186604     -0.724651
  H      -3.535105     -0.737371     -0.276115
  H      -4.008261     -1.542562      1.935104
  H      -1.823041     -0.382804      1.475024
  H      -1.959686     -1.291267      2.991314
  H      -0.724977     -3.336754      3.390247
  H       1.272090     -4.707177      2.875064
  H       3.514398     -4.028045     -0.054988
  H       2.566293     -5.496148      0.140552
  H       3.989130     -2.951287      2.564784
  H       5.398548     -3.592063      4.502322
  H       5.940933     -5.989180      4.919820
  H       5.065992     -7.736797      3.371951
  H       3.646922     -7.090770      1.438415
  H       1.808392     -2.530308     -0.793967
  H      -0.197322     -1.173861     -0.288600
  H      -6.896562     -5.502784      5.931176
  H      -8.406820     -4.582951      5.719780
  H      -8.085394     -5.989211      4.690603
  H      -6.558448     -3.326149      4.751665
  H      -7.297319     -3.117735      2.366267
  H      -8.407536     -4.484377      2.609656
  H     -10.528892     -4.151854      3.765058
  H     -12.145422     -2.619475      4.839854
  H     -11.301550      0.962084      5.744416
  H     -12.626293      0.152493      4.898433
  H     -14.308683     -0.893336      6.163996
  H     -15.152778     -1.814562      8.310914
  H     -13.632000     -1.991977     10.277841
  H     -11.263725     -1.238826     10.077778
  H     -10.422359     -0.333080      7.925648
  H      -9.184801      0.500769      4.857817
  H      -7.559391     -1.034407      3.790090
  H      -4.450535     -6.207788      6.563819
  H      -2.828329     -6.771488      7.045104
  H      -3.699839     -5.618284      8.066599
  H      -3.634541     -3.884444      6.359345
  H      -1.383852     -3.188275      6.397484
  H      -1.836379     -3.918112      7.949777
  H      -0.940245     -6.293341      8.489525
  H       0.995470     -7.810980      8.256997
  H       3.416317     -7.640104      5.408348
  H       2.714579     -8.736858      6.606089
  H       4.538440     -9.439259      7.885846
  H       6.437137     -8.944174      9.406003
  H       7.144040     -6.584592      9.795613
  H       5.926676     -4.730746      8.656021
  H       4.027404     -5.230006      7.145176
  H       2.432206     -5.487454      4.932532
  H       0.500244     -3.956252      5.175413
  N      -4.243185     -2.434396      4.359327
  N      -4.356551     -1.313083      4.844559
  H      -5.250220     -1.172356      5.359613
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042246372500
  N      -3.239778     -3.475531      1.793836
  C      -2.831232     -4.436186      0.770928
  C      -2.554309     -5.774544      1.421775
  N      -3.550157     -6.023478      2.496040
  C      -4.872501     -6.435791      1.956502
  C      -5.957160     -6.140450      2.979066
  N      -5.743814     -4.812081      3.563479
  Mo     -3.938779     -4.051475      3.538928
  N      -2.763128     -4.961845      4.827930
  C      -2.067787     -6.186322      4.413045
  C      -3.009553     -6.969241      3.509255
  H      -1.769967     -6.797071      5.274662
  H      -1.136258     -5.929184      3.884684
  H      -3.851368     -7.349306      4.102895
  H      -2.510470     -7.821137      3.017246
  H      -6.936265     -6.198223      2.475647
  H      -5.966783     -6.909922      3.772303
  H      -5.053711     -5.839500      1.051754
  H      -4.860239     -7.501389      1.671895
  H      -1.913620     -4.089176      0.269573
  H      -3.608850     -4.517248     -0.009843
  H      -1.563630     -5.743838      1.892969
  H      -2.564104     -6.598546      0.689319
  C      -3.439884     -1.818599     -0.098756
  C      -3.198104     -2.051108      1.392210
  C      -1.875813     -1.397098      1.901245
  C      -0.629268     -2.172809      1.577871
  C      -0.181538     -3.172622      2.455227
  C       0.941085     -3.943323      2.163581
  C       1.673275     -3.731155      0.987167
  C       2.892590     -4.569788      0.662571
  C       3.725757     -4.972358      1.859433
  C       4.226482     -4.002482      2.742133
  C       5.014927     -4.367603      3.833535
  C       5.321644     -5.712702      4.062473
  C       4.826103     -6.686312      3.193905
  C       4.030329     -6.316744      2.104954
  C       1.240718     -2.720725      0.118239
  C       0.106196     -1.957177      0.404593
  C      -7.615611     -5.131687      5.188371
  C      -6.929980     -4.198885      4.190505
  C      -7.904991     -3.653036      3.116953
  C      -8.922497     -2.714749      3.709015
  C     -10.226797     -3.133934      4.006952
  C     -11.139510     -2.268429      4.606487
  C     -10.782326     -0.950469      4.925223
  C     -11.780767     -0.017985      5.578927
  C     -12.306161     -0.551069      6.894766
  C     -13.634727     -0.972342      7.025526
  C     -14.107655     -1.486407      8.236426
  C     -13.253964     -1.584113      9.336050
  C     -11.925397     -1.163913      9.217577
  C     -11.457280     -0.654306      8.006765
  C      -9.481996     -0.528497      4.623527
  C      -8.566747     -1.396708      4.025297
  C      -3.500470     -5.904263      7.025421
  C      -2.911797     -4.710033      6.272487
  C      -1.599206     -4.144392      6.898938
  C      -0.390009     -5.035100      6.818712
  C      -0.215693     -6.120061      7.693200
  C       0.877238     -6.975217      7.564282
  C       1.836330     -6.777690      6.559979
  C       3.027626     -7.695257      6.440352
  C       4.156090     -7.371851      7.403465
  C       4.843970     -8.404310      8.054082
  C       5.913346     -8.126768      8.908912
  C       6.309965     -6.806057      9.127896
  C       5.627303     -5.767941      8.488320
  C       4.558665     -6.049075      7.635793
  C       1.681351     -5.677906      5.706285
  C       0.590372     -4.818386      5.840998
  H      -4.371699     -2.297576     -0.430301
  H      -2.615291     -2.187407     -0.723539
  H      -3.535537     -0.738883     -0.275900
  H      -4.010026     -1.544635      1.935009
  H      -1.826477     -0.382154      1.478062
  H      -1.961852     -1.293026      2.993032
  H      -0.724824     -3.338186      3.388383
  H       1.275136     -4.703888      2.871862
  H       3.520050     -4.012494     -0.052397
  H       2.573138     -5.482795      0.131982
  H       3.991701     -2.949303      2.570688
  H       5.396077     -3.599222      4.508742
  H       5.934695     -5.998580      4.918230
  H       5.060974     -7.739197      3.361619
  H       3.646703     -7.084036      1.427781
  H       1.809189     -2.519488     -0.793057
  H      -0.199097     -1.167611     -0.286208
  H      -6.896039     -5.504352      5.931379
  H      -8.407414     -4.586562      5.719217
  H      -8.084282     -5.993276      4.691198
  H      -6.560236     -3.328463      4.749912
  H      -7.300238     -3.123764      2.363803
  H      -8.410199     -4.490036      2.610550
  H     -10.531067     -4.155235      3.764476
  H     -12.147228     -2.621258      4.837673
  H     -11.303523      0.961583      5.736511
  H     -12.628988      0.147461      4.895846
  H     -14.308452     -0.891919      6.168900
  H     -15.147519     -1.807543      8.320129
  H     -13.621578     -1.981760     10.283384
  H     -11.253223     -1.231073     10.075152
  H     -10.416894     -0.330979      7.918848
  H      -9.185337      0.497771      4.853626
  H      -7.560369     -1.038872      3.787446
  H      -4.450403     -6.210002      6.563866
  H      -2.828179     -6.771572      7.047580
  H      -3.702163     -5.618547      8.067103
  H      -3.635872     -3.885340      6.360185
  H      -1.385341     -3.188628      6.398383
  H      -1.837869     -3.918258      7.950749
  H      -0.939950     -6.292094      8.492379
  H       0.995913     -7.809373      8.260065
  H       3.415380     -7.639666      5.409671
  H       2.713400     -8.736792      6.606921
  H       4.536352     -9.439789      7.887731
  H       6.435047     -8.945329      9.408149
  H       7.143026     -6.586002      9.797390
  H       5.926932     -4.731823      8.657063
  H       4.027644     -5.230469      7.145950
  H       2.430460     -5.488191      4.933073
  H       0.498317     -3.957178      5.175724
  N      -4.245394     -2.436091      4.359526
  N      -4.360168     -1.314568      4.843940
  H      -5.253566     -1.174992      5.359793
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042248353416
  N      -3.238246     -3.475322      1.792429
  C      -2.828222     -4.436132      0.770304
  C      -2.552069     -5.774401      1.421734
  N      -3.548985     -6.022970      2.495091
  C      -4.870621     -6.435846      1.954271
  C      -5.956469     -6.140774      2.975663
  N      -5.743823     -4.812538      3.560577
  Mo     -3.939119     -4.051025      3.537160
  N      -2.763726     -4.959956      4.827214
  C      -2.068064     -6.184667      4.413262
  C      -3.009219     -6.968115      3.509321
  H      -1.770829     -6.794985      5.275372
  H      -1.136208     -5.927766      3.885378
  H      -3.851491     -7.347661      4.102655
  H      -2.509851     -7.820399      3.018274
  H      -6.934977     -6.198374      2.471044
  H      -5.967079     -6.910411      3.768714
  H      -5.051066     -5.839731      1.049254
  H      -4.857660     -7.501469      1.669788
  H      -1.909965     -4.089138      0.270085
  H      -3.604746     -4.517448     -0.011528
  H      -1.561816     -5.743906      1.893811
  H      -2.561389     -6.598546      0.689440
  C      -3.437864     -1.819393     -0.101130
  C      -3.197703     -2.051093      1.390212
  C      -1.876728     -1.395605      1.900540
  C      -0.628904     -2.168972      1.576547
  C      -0.179413     -3.168789      2.452922
  C       0.944948     -3.936907      2.160771
  C       1.676730     -3.722295      0.984623
  C       2.897538     -4.558275      0.658342
  C       3.726829     -4.969472      1.854791
  C       4.231515     -4.005293      2.741507
  C       5.016400     -4.378307      3.832790
  C       5.315519     -5.725818      4.057623
  C       4.815828     -6.693816      3.185181
  C       4.023686     -6.316294      2.096309
  C       1.242107     -2.712044      0.116439
  C       0.106211     -1.950927      0.403423
  C      -7.613336     -5.133611      5.187833
  C      -6.930332     -4.200652      4.188301
  C      -7.907744     -3.657488      3.115566
  C      -8.924988     -2.719152      3.708126
  C     -10.229272     -3.138323      4.006104
  C     -11.141990     -2.272766      4.605555
  C     -10.784808     -0.954789      4.924197
  C     -11.783288     -0.022669      5.578197
  C     -12.303930     -0.553573      6.896898
  C     -13.632505     -0.973023      7.033357
  C     -14.101500     -1.484755      8.246767
  C     -13.243761     -1.581974      9.343277
  C     -11.915120     -1.163649      9.219085
  C     -11.450943     -0.656370      8.005775
  C      -9.484464     -0.532841      4.622521
  C      -8.569212     -1.401103      4.024355
  C      -3.500588     -5.901327      7.025379
  C      -2.912096     -4.707463      6.271738
  C      -1.599368     -4.141760      6.897726
  C      -0.390595     -5.033156      6.818858
  C      -0.216410     -6.116441      7.695470
  C       0.876101     -6.972321      7.567886
  C       1.834872     -6.777247      6.562785
  C       3.025714     -7.695663      6.444609
  C       4.153001     -7.372317      7.409084
  C       4.835919     -8.404176      8.065792
  C       5.903888     -8.126370      8.922324
  C       6.304058     -6.806010      9.136809
  C       5.626392     -5.768431      8.491029
  C       4.559149     -6.049805      7.636883
  C       1.680075     -5.679114      5.706995
  C       0.589501     -4.818865      5.840362
  H      -4.368898     -2.299178     -0.433688
  H      -2.612158     -2.187871     -0.724631
  H      -3.534078     -0.739820     -0.278847
  H      -4.010745     -1.545245      1.931946
  H      -1.828951     -0.380070      1.478594
  H      -1.963301     -1.293029      2.992418
  H      -0.722688     -3.336462      3.385709
  H       1.280412     -4.697409      2.868439
  H       3.527322     -3.995516     -0.050276
  H       2.579966     -5.467242      0.119760
  H       4.002826     -2.950261      2.573193
  H       5.400756     -3.614227      4.511053
  H       5.925933     -6.017788      4.913219
  H       5.044644     -7.748548      3.349645
  H       3.636943     -7.079250      1.416017
  H       1.810165     -2.508926     -0.794702
  H      -0.200433     -1.161251     -0.286654
  H      -6.892455     -5.503949      5.930730
  H      -8.405837     -4.589473      5.718664
  H      -8.080662     -5.996695      4.691995
  H      -6.561320     -3.329038      4.746300
  H      -7.305059     -3.129011      2.360199
  H      -8.413555     -4.495641      2.611713
  H     -10.533519     -4.159648      3.763697
  H     -12.149751     -2.625499      4.836738
  H     -11.307840      0.958392      5.731904
  H     -12.633973      0.138938      4.897302
  H     -14.309354     -0.893098      6.179150
  H     -15.141426     -1.804516      8.334822
  H     -13.608232     -1.977832     10.292573
  H     -11.239731     -1.230486     10.074159
  H     -10.410440     -0.334623      7.913584
  H      -9.187824      0.493471      4.852453
  H      -7.562893     -1.043174      3.786397
  H      -4.449577     -6.208670      6.562966
  H      -2.827417     -6.767901      7.049675
  H      -3.703953     -5.614415      8.066407
  H      -3.636045     -3.882651      6.359209
  H      -1.384959     -3.186684      6.396069
  H      -1.838073     -3.914272      7.949236
  H      -0.940406     -6.286627      8.495293
  H       0.994714     -7.805009      8.265436
  H       3.414650     -7.640582      5.414364
  H       2.710647     -8.736942      6.611176
  H       4.525489     -9.439365      7.902908
  H       6.421714     -8.944446      9.426366
  H       7.136030     -6.585741      9.807586
  H       5.928893     -4.732571      8.656205
  H       4.031969     -5.231650      7.142138
  H       2.429085     -5.491180      4.933277
  H       0.497694     -3.958892      5.173463
  N      -4.246892     -2.435527      4.357234
  N      -4.362491     -1.313113      4.839394
  H      -5.254845     -1.174086      5.357213
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042248954882
  N      -3.237143     -3.474305      1.791302
  C      -2.826412     -4.434807      0.769213
  C      -2.550944     -5.773378      1.420376
  N      -3.548424     -6.021939      2.493205
  C      -4.869756     -6.434730      1.951564
  C      -5.956211     -6.139899      2.972392
  N      -5.743755     -4.811916      3.557945
  Mo     -3.939047     -4.050415      3.535698
  N      -2.763877     -4.959148      4.825919
  C      -2.068351     -6.184044      4.412043
  C      -3.009330     -6.967205      3.507707
  H      -1.771607     -6.794527      5.274204
  H      -1.136255     -5.927293      3.884525
  H      -3.851973     -7.346452      4.100713
  H      -2.510019     -7.819677      3.016925
  H      -6.934407     -6.197104      2.467126
  H      -5.967457     -6.909840      3.765129
  H      -5.049678     -5.838482      1.046531
  H      -4.856583     -7.500306      1.666916
  H      -1.907733     -4.087722      0.269824
  H      -3.602308     -4.515806     -0.013278
  H      -1.560860     -5.743534      1.892833
  H      -2.560312     -6.597280      0.687811
  C      -3.435711     -1.817837     -0.101943
  C      -3.196856     -2.049967      1.389528
  C      -1.876701     -1.394020      1.901406
  C      -0.628009     -2.165574      1.576444
  C      -0.177150     -3.165990      2.451385
  C       0.948118     -3.932405      2.157921
  C       1.679263     -3.715426      0.981860
  C       2.900542     -4.549858      0.653087
  C       3.726645     -4.969960      1.848498
  C       4.236396     -4.011721      2.738764
  C       5.018342     -4.392998      3.829298
  C       5.309380     -5.743011      4.049744
  C       4.804423     -6.705165      3.173874
  C       4.015212     -6.319317      2.085802
  C       1.243345     -2.704366      0.115212
  C       0.106721     -1.944956      0.403523
  C      -7.611479     -5.134080      5.187064
  C      -6.930301     -4.200889      4.186477
  C      -7.909472     -3.659205      3.114606
  C      -8.926599     -2.721167      3.707938
  C     -10.231003     -3.140446      4.005221
  C     -11.143827     -2.275252      4.605028
  C     -10.786604     -0.957558      4.924790
  C     -11.785198     -0.026159      5.579525
  C     -12.303189     -0.556791      6.899441
  C     -13.631990     -0.974529      7.038957
  C     -14.098861     -1.485783      8.253383
  C     -13.238705     -1.584273      9.347882
  C     -11.909798     -1.167720      9.220612
  C     -11.447751     -0.660909      8.006287
  C      -9.486125     -0.535508      4.623847
  C      -8.570779     -1.403401      4.025283
  C      -3.499495     -5.899916      7.024775
  C      -2.911516     -4.706253      6.270449
  C      -1.598551     -4.140197      6.895599
  C      -0.390159     -5.032244      6.818354
  C      -0.216040     -6.113341      7.697687
  C       0.876299     -6.969710      7.572136
  C       1.834917     -6.777378      6.566347
  C       3.025791     -7.696170      6.450794
  C       4.151648     -7.370697      7.416181
  C       4.827467     -8.400187      8.083791
  C       5.893494     -8.120125      8.942054
  C       6.298799     -6.799874      9.147202
  C       5.628277     -5.764567      8.490355
  C       4.562946     -6.048155      7.634609
  C       1.680110     -5.681524      5.707680
  C       0.589760     -4.820684      5.839103
  H      -4.366279     -2.297802     -0.435537
  H      -2.609281     -2.185871     -0.724739
  H      -3.532093     -0.738236     -0.279397
  H      -4.010607     -1.544648      1.930719
  H      -1.829839     -0.377750      1.481127
  H      -1.963764     -1.293304      2.993411
  H      -0.720064     -3.335660      3.384025
  H       1.284678     -4.693458      2.864488
  H       3.532383     -3.982622     -0.050090
  H       2.583490     -5.454760      0.107383
  H       4.014113     -2.954788      2.573784
  H       5.406778     -3.633463      4.510333
  H       5.917791     -6.041362      4.904589
  H       5.026849     -7.761783      3.334943
  H       3.624509     -7.077679      1.402646
  H       1.810924     -2.499354     -0.795809
  H      -0.200869     -1.154596     -0.285350
  H      -6.889629     -5.503176      5.929636
  H      -8.404243     -4.590587      5.718176
  H      -8.078162     -5.997962      4.692002
  H      -6.561512     -3.328664      4.743659
  H      -7.308334     -3.131000      2.357814
  H      -8.415707     -4.497995      2.612267
  H     -10.535234     -4.161575      3.761967
  H     -12.151709     -2.628018      4.835650
  H     -11.310876      0.955687      5.731725
  H     -12.637257      0.133678      4.899959
  H     -14.310684     -0.893692      6.186298
  H     -15.138993     -1.804219      8.343777
  H     -13.601463     -1.979796     10.297972
  H     -11.232477     -1.235612     10.074075
  H     -10.406998     -0.340641      7.911796
  H      -9.189459      0.490607      4.854613
  H      -7.564386     -1.045315      3.787885
  H      -4.448203     -6.208155      6.562384
  H      -2.825768     -6.766038      7.049835
  H      -3.703240     -5.612398      8.065563
  H      -3.635419     -3.881413      6.357963
  H      -1.383715     -3.185972      6.392503
  H      -1.837243     -3.911012      7.946741
  H      -0.939857     -6.281288      8.498145
  H       0.994970     -7.800501      8.271937
  H       3.415765     -7.642994      5.420876
  H       2.710434     -8.737087      6.619017
  H       4.512997     -9.435265      7.928145
  H       6.405792     -8.936347      9.454678
  H       7.129270     -6.577831      9.819254
  H       5.934900     -4.728770      8.648156
  H       4.041226     -5.231751      7.131227
  H       2.428960     -5.495778      4.933287
  H       0.498033     -3.962389      5.170025
  N      -4.246700     -2.435000      4.356051
  N      -4.361421     -1.311739      4.836475
  H      -5.252412     -1.172170      5.356493
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042249824424
  N      -3.236153     -3.472557      1.791291
  C      -2.824932     -4.432164      0.768599
  C      -2.549767     -5.771314      1.418739
  N      -3.547556     -6.020597      2.491099
  C      -4.868665     -6.433170      1.948724
  C      -5.955495     -6.139133      2.969389
  N      -5.743456     -4.811434      3.555778
  Mo     -3.938717     -4.050015      3.535124
  N      -2.763705     -4.959250      4.824933
  C      -2.068176     -6.183996      4.410495
  C      -3.008844     -6.966460      3.505286
  H      -1.771928     -6.795135      5.272379
  H      -1.135809     -5.926989      3.883580
  H      -3.851750     -7.346019      4.097721
  H      -2.509416     -7.818707      3.014221
  H      -6.933543     -6.196201      2.463843
  H      -5.966782     -6.909541      3.761666
  H      -5.048319     -5.836378      1.044000
  H      -4.855243     -7.498572      1.663435
  H      -1.906069     -4.084609      0.269874
  H      -3.600492     -4.512577     -0.014293
  H      -1.559765     -5.742239      1.891416
  H      -2.559159     -6.594585      0.685460
  C      -3.433930     -1.814562     -0.100673
  C      -3.196111     -2.047877      1.390748
  C      -1.876661     -1.391885      1.904357
  C      -0.627189     -2.161512      1.577858
  C      -0.174894     -3.163144      2.450612
  C       0.951125     -3.927778      2.155066
  C       1.681332     -3.707801      0.979016
  C       2.902676     -4.540861      0.646618
  C       3.725480     -4.971522      1.840369
  C       4.242939     -4.020246      2.733680
  C       5.021762     -4.411346      3.822953
  C       5.301746     -5.764411      4.038999
  C       4.788698     -6.719722      3.160342
  C       4.002753     -6.323945      2.073489
  C       1.244119     -2.695238      0.114728
  C       0.106977     -1.937547      0.405190
  C      -7.610036     -5.134891      5.185964
  C      -6.930165     -4.201290      4.184848
  C      -7.910506     -3.660594      3.113565
  C      -8.927778     -2.722977      3.707376
  C     -10.232276     -3.142559      4.003848
  C     -11.145416     -2.277818      4.603823
  C     -10.788403     -0.960309      4.924600
  C     -11.787304     -0.029724      5.579915
  C     -12.302604     -0.560016      6.901073
  C     -13.631551     -0.976251      7.043682
  C     -14.096189     -1.486932      8.259205
  C     -13.233588     -1.586379      9.351689
  C     -11.904493     -1.171396      9.221294
  C     -11.444676     -0.665148      8.005881
  C      -9.487837     -0.537968      4.624477
  C      -8.572180     -1.405405      4.025728
  C      -3.497977     -5.900391      7.024078
  C      -2.910765     -4.706532      6.269516
  C      -1.597634     -4.140214      6.894039
  C      -0.389622     -5.032872      6.818063
  C      -0.215632     -6.112035      7.699787
  C       0.876749     -6.968629      7.576352
  C       1.835568     -6.778420      6.570354
  C       3.027115     -7.696832      6.457897
  C       4.151198     -7.367675      7.424057
  C       4.818525     -8.393368      8.105803
  C       5.882100     -8.109529      8.965948
  C       6.293385     -6.789294      9.158649
  C       5.631315     -5.757637      8.487553
  C       4.568438     -6.044946      7.630079
  C       1.680636     -5.684753      5.708931
  C       0.590222     -4.823675      5.838211
  H      -4.364105     -2.294578     -0.435291
  H      -2.606932     -2.181816     -0.723181
  H      -3.530555     -0.734850     -0.277300
  H      -4.010411     -1.543271      1.931795
  H      -1.830605     -0.374659      1.486301
  H      -1.964179     -1.293627      2.996547
  H      -0.717128     -3.335472      3.383155
  H       1.288951     -4.689955      2.859849
  H       3.536630     -3.968736     -0.050632
  H       2.585536     -5.440924      0.092995
  H       4.029349     -2.961018      2.571919
  H       5.416436     -3.657235      4.506427
  H       5.908036     -6.070345      4.892700
  H       5.002347     -7.778627      3.318206
  H       3.605862     -7.076869      1.387891
  H       1.810976     -2.487811     -0.796203
  H      -0.201680     -1.146040     -0.281893
  H      -6.887586     -5.502863      5.928515
  H      -8.403334     -4.592113      5.717019
  H      -8.075781     -5.999512      4.691302
  H      -6.561678     -3.328712      4.741682
  H      -7.310406     -3.132423      2.355921
  H      -8.416855     -4.499831      2.612095
  H     -10.536281     -4.163571      3.759823
  H     -12.153374     -2.630780      4.833822
  H     -11.314226      0.952976      5.730552
  H     -12.640654      0.128283      4.901564
  H     -14.312073     -0.894733      6.192550
  H     -15.136459     -1.804217      8.352006
  H     -13.594559     -1.981496     10.302628
  H     -11.225239     -1.240106     10.073154
  H     -10.403754     -0.346167      7.908957
  H      -9.191355      0.488025      4.856012
  H      -7.565724     -1.047070      3.788993
  H      -4.446536     -6.209321      6.561839
  H      -2.823617     -6.766028      7.049212
  H      -3.701782     -5.612835      8.064844
  H      -3.634801     -3.881845      6.357343
  H      -1.382445     -3.186588      6.389960
  H      -1.836404     -3.909878      7.944909
  H      -0.939516     -6.278080      8.500586
  H       0.995472     -7.797694      8.278189
  H       3.418042     -7.645839      5.428260
  H       2.712244     -8.737503      6.628428
  H       4.499414     -9.428423      7.959802
  H       6.387811     -8.922802      9.489678
  H       7.121986     -6.564320      9.832033
  H       5.942685     -4.721809      8.635559
  H       4.053160     -5.231321      7.115650
  H       2.429548     -5.500863      4.934163
  H       0.498568     -3.966935      5.167123
  N      -4.246129     -2.435036      4.356430
  N      -4.359582     -1.311077      4.835546
  H      -5.249453     -1.170548      5.357208
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042251164111
  N      -3.236251     -3.471370      1.792856
  C      -2.824815     -4.429455      0.768841
  C      -2.549398     -5.769438      1.417172
  N      -3.547216     -6.020356      2.489117
  C      -4.868219     -6.432498      1.946109
  C      -5.955122     -6.139880      2.967096
  N      -5.743682     -4.812540      3.554573
  Mo     -3.938908     -4.051228      3.535825
  N      -2.764054     -4.961978      4.824588
  C      -2.068300     -6.186130      4.408820
  C      -3.008531     -6.967443      3.502199
  H      -1.772424     -6.798459      5.270006
  H      -1.135700     -5.928354      3.882690
  H      -3.851539     -7.348024      4.093828
  H      -2.508794     -7.818936      3.010133
  H      -6.933218     -6.197056      2.461683
  H      -5.965824     -6.910968      3.758721
  H      -5.047920     -5.834645      1.042100
  H      -4.854568     -7.497564      1.659576
  H      -1.906074     -4.081015      0.270524
  H      -3.600409     -4.509044     -0.014110
  H      -1.559412     -5.740997      1.889942
  H      -2.558629     -6.591689      0.682743
  C      -3.433366     -1.810455     -0.096629
  C      -3.196342     -2.046036      1.394535
  C      -1.877441     -1.390573      1.910149
  C      -0.627368     -2.158381      1.581702
  C      -0.174179     -3.162260      2.451363
  C       0.952452     -3.925101      2.153274
  C       1.682208     -3.701023      0.977722
  C       2.903736     -4.532468      0.641611
  C       3.723900     -4.972460      1.833637
  C       4.247797     -4.027471      2.729883
  C       5.023988     -4.427310      3.817848
  C       5.294715     -5.782951      4.029497
  C       4.774943     -6.732075      3.148087
  C       3.991718     -6.327480      2.062537
  C       1.244229     -2.685984      0.116718
  C       0.106610     -1.930087      0.409740
  C      -7.610772     -5.137171      5.183927
  C      -6.930762     -4.202987      4.183440
  C      -7.910815     -3.662036      3.112034
  C      -8.928153     -2.724384      3.705661
  C     -10.232767     -3.143896      4.001785
  C     -11.145977     -2.279118      4.601593
  C     -10.788909     -0.961666      4.922566
  C     -11.787786     -0.031273      5.578123
  C     -12.300617     -0.560549      6.900671
  C     -13.629471     -0.976054      7.046239
  C     -14.091887     -1.485613      8.263081
  C     -13.227113     -1.584661      9.353881
  C     -11.898073     -1.170457      9.220496
  C     -11.440469     -0.665327      8.003783
  C      -9.488258     -0.539395      4.622753
  C      -8.572528     -1.406866      4.024170
  C      -3.497201     -5.904885      7.023392
  C      -2.911020     -4.710241      6.269306
  C      -1.598117     -4.143358      6.893838
  C      -0.389885     -5.035769      6.818436
  C      -0.215462     -6.113725      7.701530
  C       0.877571     -6.969691      7.579612
  C       1.836675     -6.779954      6.573824
  C       3.029629     -7.696922      6.463704
  C       4.152380     -7.363160      7.429806
  C       4.813830     -8.384626      8.123432
  C       5.875454     -8.096267      8.984560
  C       6.290604     -6.775717      9.166210
  C       5.634343     -5.748140      8.483176
  C       4.573441     -6.039921      7.624837
  C       1.681027     -5.687741      5.710649
  C       0.589951     -4.827288      5.838381
  H      -4.363197     -2.290299     -0.432452
  H      -2.605914     -2.176411     -0.719308
  H      -3.530308     -0.730506     -0.271617
  H      -4.011050     -1.542416      1.935883
  H      -1.831892     -0.372203      1.494827
  H      -1.965392     -1.295297      3.002569
  H      -0.715912     -3.338086      3.383538
  H       1.291174     -4.689236      2.855543
  H       3.539210     -3.955757     -0.050414
  H       2.586638     -5.428205      0.080977
  H       4.041471     -2.966324      2.571275
  H       5.423912     -3.678174      4.503740
  H       5.899236     -6.095615      4.882039
  H       4.981335     -7.792882      3.302772
  H       3.589660     -7.075437      1.374517
  H       1.810722     -2.475269     -0.793687
  H      -0.202756     -1.136674     -0.274830
  H      -6.888595     -5.504833      5.926906
  H      -8.404758     -4.594916      5.714492
  H      -8.075610     -6.002015      4.688797
  H      -6.562619     -3.330630      4.740861
  H      -7.310487     -3.133852      2.354580
  H      -8.417114     -4.501168      2.610328
  H     -10.536765     -4.164873      3.757602
  H     -12.154021     -2.632007      4.831342
  H     -11.315466      0.952081      5.726945
  H     -12.642241      0.125185      4.900820
  H     -14.311614     -0.894866      6.196377
  H     -15.132110     -1.802357      8.358230
  H     -13.586343     -1.978916     10.305839
  H     -11.217123     -1.238917     10.071022
  H     -10.399581     -0.346976      7.904426
  H      -9.191767      0.486564      4.854427
  H      -7.565966     -1.048638      3.787733
  H      -4.445754     -6.214193      6.561384
  H      -2.822169     -6.770028      7.047711
  H      -3.700745     -5.618077      8.064414
  H      -3.635607     -3.886089      6.357636
  H      -1.383138     -3.189750      6.389649
  H      -1.837193     -3.912953      7.944620
  H      -0.939490     -6.279101      8.502340
  H       0.996723     -7.797693      8.282632
  H       3.420726     -7.647676      5.434077
  H       2.716342     -8.737642      6.636719
  H       4.491797     -9.419939      7.985965
  H       6.376630     -8.906288      9.517603
  H       7.117739     -6.547245      9.840220
  H       5.948761     -4.712028      8.622505
  H       4.062547     -5.229369      7.101245
  H       2.430047     -5.504557      4.935820
  H       0.497896     -3.971572      5.166028
  N      -4.246306     -2.437167      4.358876
  N      -4.358819     -1.313192      4.838197
  H      -5.248645     -1.171863      5.359698
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042251329109
  N      -3.236828     -3.470690      1.795297
  C      -2.825461     -4.427382      0.769940
  C      -2.549276     -5.767986      1.416630
  N      -3.546922     -6.020712      2.488311
  C      -4.867895     -6.432534      1.944942
  C      -5.954652     -6.141446      2.966500
  N      -5.743915     -4.814349      3.554819
  Mo     -3.939203     -4.052861      3.537444
  N      -2.764378     -4.965199      4.825105
  C      -2.068203     -6.188610      4.408088
  C      -3.007919     -6.968972      3.500113
  H      -1.772582     -6.802030      5.268601
  H      -1.135408     -5.929981      3.882710
  H      -3.850839     -7.350855      4.091014
  H      -2.507697     -7.819511      3.006893
  H      -6.932923     -6.199048      2.461490
  H      -5.964378     -6.913119      3.757576
  H      -5.047900     -5.833555      1.041745
  H      -4.854013     -7.497240      1.657072
  H      -1.907108     -4.078044      0.271560
  H      -3.601424     -4.506414     -0.012707
  H      -1.559284     -5.739602      1.889426
  H      -2.558074     -6.589354      0.681204
  C      -3.433965     -1.807171     -0.091911
  C      -3.197103     -2.044758      1.398948
  C      -1.878414     -1.389919      1.915759
  C      -0.628111     -2.156622      1.585633
  C      -0.174548     -3.162542      2.452701
  C       0.952430     -3.924144      2.152635
  C       1.682043     -3.696767      0.977621
  C       2.903858     -4.526877      0.638958
  C       3.722461     -4.972565      1.829858
  C       4.250174     -4.031423      2.727932
  C       5.024620     -4.436587      3.815147
  C       5.289679     -5.793763      4.024111
  C       4.765958     -6.739092      3.140964
  C       3.984530     -6.329130      2.056145
  C       1.243697     -2.679659      0.119261
  C       0.105805     -1.924996      0.414274
  C      -7.612575     -5.139823      5.182160
  C      -6.931479     -4.205073      4.182951
  C      -7.910238     -3.663144      3.110852
  C      -8.927768     -2.725315      3.703789
  C     -10.232346     -3.144780      4.000199
  C     -11.145610     -2.279703      4.599490
  C     -10.788637     -0.962025      4.919655
  C     -11.787511     -0.031365      5.574825
  C     -12.298779     -0.559203      6.898546
  C     -13.627249     -0.975257      7.045986
  C     -14.088140     -1.483403      8.264002
  C     -13.222210     -1.580449      9.354056
  C     -11.893525     -1.165705      9.218786
  C     -11.437432     -0.661997      8.000923
  C      -9.488040     -0.539814      4.619552
  C      -8.572252     -1.407574      4.021478
  C      -3.497081     -5.910162      7.023225
  C      -2.911694     -4.714617      6.269963
  C      -1.599189     -4.147311      6.894966
  C      -0.390520     -5.039125      6.819452
  C      -0.215635     -6.116906      7.702643
  C       0.878102     -6.972060      7.581261
  C       1.837500     -6.781566      6.575939
  C       3.031748     -7.697027      6.466706
  C       4.154129     -7.359670      7.432003
  C       4.813953     -8.378219      8.131391
  C       5.874901     -8.086469      8.992261
  C       6.290981     -6.765417      9.167811
  C       5.636284     -5.740655      8.479019
  C       4.576091     -6.035806      7.621003
  C       1.681178     -5.689693      5.712396
  C       0.589387     -4.830088      5.839545
  H      -4.363594     -2.286876     -0.428500
  H      -2.606323     -2.171888     -0.715073
  H      -3.531300     -0.727010     -0.265377
  H      -4.011957     -1.541968      1.940826
  H      -1.833087     -0.370728      1.502426
  H      -1.966445     -1.296819      3.008361
  H      -0.715973     -3.341181      3.384510
  H       1.291629     -4.690015      2.852811
  H       3.540083     -3.946996     -0.049693
  H       2.587048     -5.419898      0.073846
  H       4.048279     -2.969148      2.571171
  H       5.427683     -3.690570      4.502602
  H       5.892960     -6.110495      4.876046
  H       4.967970     -7.801013      3.293747
  H       3.579370     -7.074011      1.366608
  H       1.810042     -2.466295     -0.790622
  H      -0.203941     -1.129954     -0.268238
  H      -6.891214     -5.507664      5.925851
  H      -8.407291     -4.597898      5.711970
  H      -8.076601     -6.004577      4.686118
  H      -6.563739     -3.333216      4.741434
  H      -7.308762     -3.134737      2.354467
  H      -8.416135     -4.501846      2.608004
  H     -10.536280     -4.165909      3.756576
  H     -12.153633     -2.632532      4.829438
  H     -11.315621      0.952456      5.721954
  H     -12.642605      0.123797      4.898037
  H     -14.310251     -0.895612      6.196670
  H     -15.128082     -1.800610      8.360662
  H     -13.580270     -1.973579     10.306921
  H     -11.211702     -1.232626     10.068735
  H     -10.396838     -0.343194      7.899956
  H      -9.191665      0.486328      4.850567
  H      -7.565698     -1.049487      3.784791
  H      -4.445729     -6.219463      6.561399
  H      -2.821629     -6.775012      7.046433
  H      -3.700245     -5.624368      8.064598
  H      -3.636902     -3.891057      6.358757
  H      -1.384621     -3.193332      6.391312
  H      -1.838583     -3.917594      7.945825
  H      -0.939894     -6.282688      8.503166
  H       0.997618     -7.799927      8.284380
  H       3.422259     -7.648701      5.436827
  H       2.720200     -8.737933      6.641616
  H       4.491312     -9.413953      7.998626
  H       6.374823     -8.894275      9.529821
  H       7.117640     -6.534335      9.841515
  H       5.951408     -4.704124      8.613562
  H       4.066356     -5.227342      7.093067
  H       2.430360     -5.506227      4.937796
  H       0.496930     -3.974587      5.166970
  N      -4.247072     -2.439717      4.362030
  N      -4.359566     -1.316296      4.842650
  H      -5.250347     -1.174752      5.362443
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042251989850
  N      -3.237344     -3.470231      1.796673
  C      -2.825965     -4.426102      0.770536
  C      -2.549082     -5.766975      1.416345
  N      -3.546661     -6.020942      2.487801
  C      -4.867572     -6.432643      1.944141
  C      -5.954295     -6.142627      2.966025
  N      -5.744113     -4.815687      3.554883
  Mo     -3.939547     -4.053826      3.538243
  N      -2.764711     -4.967161      4.825262
  C      -2.068131     -6.190055      4.407622
  C      -3.007414     -6.969931      3.498751
  H      -1.772700     -6.804069      5.267778
  H      -1.135189     -5.930893      3.882756
  H      -3.850250     -7.352694      4.089191
  H      -2.506789     -7.819788      3.004777
  H      -6.932643     -6.200567      2.461203
  H      -5.963411     -6.914689      3.756734
  H      -5.047791     -5.832917      1.041487
  H      -4.853477     -7.497100      1.655360
  H      -1.907910     -4.076174      0.272036
  H      -3.602184     -4.504939     -0.011878
  H      -1.559146     -5.738232      1.889259
  H      -2.557335     -6.587884      0.680399
  C      -3.434380     -1.805091     -0.089171
  C      -3.197695     -2.043927      1.401528
  C      -1.879109     -1.389518      1.919013
  C      -0.628780     -2.155762      1.587930
  C      -0.175188     -3.162932      2.453508
  C       0.951951     -3.923932      2.152429
  C       1.681626     -3.694707      0.977812
  C       2.903685     -4.524037      0.637934
  C       3.721415     -4.972691      1.828280
  C       4.250521     -4.033636      2.727727
  C       5.024011     -4.441594      3.814566
  C       5.286717     -5.799503      4.021735
  C       4.761608     -6.742764      3.137202
  C       3.981129     -6.330007      2.052767
  C       1.243176     -2.676443      0.120888
  C       0.105171     -1.922382      0.416924
  C      -7.613925     -5.141827      5.180717
  C      -6.932050     -4.206623      4.182473
  C      -7.909847     -3.663955      3.109861
  C      -8.927487     -2.726022      3.702372
  C     -10.231889     -3.145525      3.999518
  C     -11.145066     -2.280215      4.598608
  C     -10.788192     -0.962279      4.917816
  C     -11.786934     -0.031344      5.572804
  C     -12.297093     -0.558132      6.897362
  C     -13.625054     -0.975400      7.045921
  C     -14.084825     -1.482592      8.264759
  C     -13.218280     -1.577431      9.354515
  C     -11.890090     -1.161459      9.218130
  C     -11.435109     -0.658719      7.999460
  C      -9.487783     -0.540025      4.616955
  C      -8.572077     -1.408015      4.019094
  C      -3.497269     -5.913227      7.023017
  C      -2.912313     -4.717187      6.270204
  C      -1.600127     -4.149493      6.895491
  C      -0.391102     -5.040842      6.820074
  C      -0.215925     -6.118503      7.703345
  C       0.878255     -6.973149      7.582304
  C       1.837790     -6.782239      6.577221
  C       3.032730     -7.696887      6.468384
  C       4.155019     -7.357596      7.433146
  C       4.815029     -8.374785      8.134320
  C       5.875771     -8.081326      8.994876
  C       6.291489     -6.759891      9.168290
  C       5.636617     -5.736447      8.477689
  C       4.576629     -6.033304      7.620021
  C       1.681085     -5.690554      5.713471
  C       0.588879     -4.831448      5.840304
  H      -4.363834     -2.284698     -0.426379
  H      -2.606537     -2.168971     -0.712559
  H      -3.531971     -0.724791     -0.261661
  H      -4.012692     -1.541667      1.943661
  H      -1.833831     -0.369895      1.506737
  H      -1.967096     -1.297578      3.011717
  H      -0.716581     -3.343106      3.385039
  H       1.291198     -4.690832      2.851462
  H       3.540371     -3.942382     -0.048787
  H       2.587238     -5.415598      0.070330
  H       4.050496     -2.970817      2.572258
  H       5.428224     -3.697255      4.503166
  H       5.889262     -6.118332      4.873416
  H       4.961857     -7.805219      3.288600
  H       3.574898     -7.073225      1.362068
  H       1.809532     -2.461609     -0.788643
  H      -0.204648     -1.126380     -0.264437
  H      -6.893100     -5.510004      5.924765
  H      -8.409013     -4.600125      5.710195
  H      -8.077574     -6.006373      4.683964
  H      -6.564642     -3.335121      4.741729
  H      -7.307510     -3.135296      2.354341
  H      -8.415387     -4.502322      2.606088
  H     -10.535778     -4.166833      3.756595
  H     -12.152956     -2.633059      4.829117
  H     -11.315244      0.952748      5.718734
  H     -12.642527      0.122927      4.896442
  H     -14.308543     -0.897444      6.196839
  H     -15.124389     -1.800764      8.362314
  H     -13.575490     -1.969782     10.308020
  H     -11.207812     -1.226656     10.067849
  H     -10.394904     -0.338936      7.897561
  H      -9.191511      0.486320      4.847200
  H      -7.565651     -1.049969      3.781793
  H      -4.446091     -6.222363      6.561436
  H      -2.821719     -6.778018      7.045448
  H      -3.700025     -5.628037      8.064636
  H      -3.637928     -3.894003      6.359208
  H      -1.385845     -3.195373      6.391975
  H      -1.839684     -3.919983      7.946359
  H      -0.940312     -6.284563      8.503700
  H       0.997986     -7.800922      8.285496
  H       3.422816     -7.649077      5.438332
  H       2.722186     -8.737891      6.644434
  H       4.492725     -9.410835      8.003200
  H       6.375816     -8.888122      9.533837
  H       7.118009     -6.527477      9.841708
  H       5.951455     -4.699610      8.610541
  H       4.066763     -5.225786      7.090770
  H       2.430347     -5.506925      4.938997
  H       0.496196     -3.976070      5.167603
  N      -4.248114     -2.441254      4.363656
  N      -4.361048     -1.318439      4.845587
  H      -5.252896     -1.177100      5.363608
125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655519-Ggf9/orca E -6512.042252253213
  N      -3.237345     -3.469792      1.797455
  C      -2.825983     -4.425334      0.770979
  C      -2.548653     -5.766256      1.416472
  N      -3.546283     -6.020884      2.487735
  C      -4.867121     -6.432527      1.943827
  C      -5.953886     -6.143157      2.965838
  N      -5.744056     -4.816327      3.555025
  Mo     -3.939630     -4.054065      3.538646
  N      -2.764750     -4.967905      4.825351
  C      -2.067961     -6.190583      4.407625
  C      -3.006953     -6.970255      3.498235
  H      -1.772821     -6.804827      5.267712
  H      -1.134842     -5.931297      3.883126
  H      -3.849753     -7.353486      4.088417
  H      -2.506065     -7.819722      3.003868
  H      -6.932235     -6.201280      2.461031
  H      -5.962735     -6.915465      3.756315
  H      -5.047421     -5.832327      1.041509
  H      -4.852882     -7.496824      1.654462
  H      -1.908119     -4.075156      0.272317
  H      -3.602379     -4.504163     -0.011259
  H      -1.558810     -5.737053      1.889567
  H      -2.556417     -6.587009      0.680352
  C      -3.434439     -1.804045     -0.087902
  C      -3.197847     -2.043338      1.402753
  C      -1.879370     -1.388985      1.920455
  C      -0.628977     -2.154855      1.588729
  C      -0.175087     -3.162508      2.453557
  C       0.952304     -3.922977      2.151959
  C       1.681839     -3.692759      0.977474
  C       2.904247     -4.521338      0.636856
  C       3.720877     -4.972760      1.826859
  C       4.251020     -4.035649      2.727733
  C       5.023423     -4.446155      3.814369
  C       5.284021     -5.804723      4.019909
  C       4.757865     -6.746058      3.133952
  C       3.978463     -6.330751      2.049721
  C       1.242978     -2.674133      0.121181
  C       0.104807     -1.920580      0.417768
  C      -7.614425     -5.143002      5.180055
  C      -6.932229     -4.207461      4.182353
  C      -7.909534     -3.664405      3.109464
  C      -8.927359     -2.726595      3.701814
  C     -10.231557     -3.146318      3.999524
  C     -11.144790     -2.280966      4.598471
  C     -10.788179     -0.962792      4.916990
  C     -11.787014     -0.031764      5.571713
  C     -12.296591     -0.557877      6.896759
  C     -13.624057     -0.976587      7.045670
  C     -14.083273     -1.483191      8.264961
  C     -13.216669     -1.575967      9.354844
  C     -11.888968     -1.158534      9.218116
  C     -11.434538     -0.656399      7.998996
  C      -9.487957     -0.540332      4.615610
  C      -8.572202     -1.408349      4.017863
  C      -3.497119     -5.914119      7.023149
  C      -2.912361     -4.717986      6.270331
  C      -1.600271     -4.150068      6.895534
  C      -0.391177     -5.041360      6.820470
  C      -0.215971     -6.118679      7.704143
  C       0.878307     -6.973270      7.583510
  C       1.837851     -6.782670      6.578393
  C       3.032951     -7.697181      6.469937
  C       4.155317     -7.356777      7.434257
  C       4.815442     -8.373182      8.136465
  C       5.876203     -8.078772      8.996676
  C       6.291874     -6.757142      9.168680
  C       5.636923     -5.734463      8.477013
  C       4.576905     -6.032269      7.619719
  C       1.681090     -5.691343      5.714193
  C       0.588823     -4.832271      5.840668
  H      -4.363718     -2.283730     -0.425471
  H      -2.606402     -2.167418     -0.711324
  H      -3.532292     -0.723700     -0.259977
  H      -4.012999     -1.541392      1.944927
  H      -1.834305     -0.369140      1.508698
  H      -1.967169     -1.297634      3.013223
  H      -0.716418     -3.343514      3.384963
  H       1.291759     -4.690247      2.850481
  H       3.541597     -3.937954     -0.047788
  H       2.588379     -5.411475      0.066708
  H       4.052702     -2.972330      2.573482
  H       5.428491     -3.703334      4.504105
  H       5.885729     -6.125451      4.871471
  H       4.956479     -7.809007      3.284040
  H       3.571422     -7.072459      1.357880
  H       1.809195     -2.458511     -0.788254
  H      -0.205247     -1.124192     -0.263033
  H      -6.893808     -5.511379      5.924209
  H      -8.409692     -4.601516      5.709484
  H      -8.077876     -6.007418      4.682899
  H      -6.565078     -3.336111      4.742016
  H      -7.306721     -3.135405      2.354563
  H      -8.414714     -4.502584      2.605013
  H     -10.535302     -4.167779      3.757072
  H     -12.152547     -2.633945      4.829360
  H     -11.315614      0.952573      5.716866
  H     -12.642903      0.121709      4.895546
  H     -14.307623     -0.900212      6.196504
  H     -15.122464     -1.802497      8.362784
  H     -13.573458     -1.967823     10.308709
  H     -11.206663     -1.222101     10.067938
  H     -10.394717     -0.335452      7.896842
  H      -9.191909      0.486208      4.845270
  H      -7.565941     -1.050172      3.780053
  H      -4.446125     -6.223120      6.561856
  H      -2.821635     -6.778969      7.045245
  H      -3.699513     -5.629063      8.064877
  H      -3.638132     -3.894941      6.359402
  H      -1.386018     -3.196109      6.391689
  H      -1.839786     -3.920194      7.946330
  H      -0.940399     -6.284549      8.504499
  H       0.998058     -7.800761      8.287036
  H       3.422750     -7.650041      5.439753
  H       2.722761     -8.738111      6.646998
  H       4.493184     -9.409384      8.006452
  H       6.376291     -8.884988      9.536464
  H       7.118414     -6.523975      9.841812
  H       5.951737     -4.697475      8.608732
  H       4.067030     -5.225287      7.089658
  H       2.430371     -5.507988      4.939682
  H       0.496150     -3.977138      5.167656
  N      -4.248832     -2.441747      4.364330
  N      -4.362321     -1.319397      4.847216
  H      -5.255074     -1.178365      5.363771
