90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.422067277770
  N      -2.803650      1.032255      5.633869
  Mo     -3.949111      2.563545      4.625113
  N      -5.346031      2.759240      6.322002
  C      -5.044464      3.653011      7.415921
  C      -4.076353      2.974597      8.409719
  N      -2.790551      2.710763      7.811609
  C      -2.200798      1.404197      7.963465
  C      -1.751389      0.835314      6.594758
  C      -1.873026      3.823762      7.772907
  C      -1.455783      4.170681      6.321193
  N      -2.585069      4.036195      5.440093
  H      -0.851838      1.353595      6.249288
  H      -1.519669     -0.232036      6.703628
  H      -1.330656      1.426049      8.634807
  H      -2.944413      0.723713      8.383275
  H      -1.061665      5.194560      6.292426
  H      -0.674070      3.486596      5.977629
  H      -2.360841      4.700687      8.205876
  H      -0.965971      3.611947      8.353353
  H      -5.959566      3.930595      7.961153
  H      -4.587780      4.566001      7.021194
  H      -4.532478      2.032278      8.721170
  H      -3.987097      3.620337      9.296127
  C      -4.259795     -4.151200      7.696958
  C      -5.671384     -3.743874      7.263021
  C      -5.692153     -3.389314      5.804099
  C      -5.847570     -4.377685      4.837068
  C      -5.827595     -4.063876      3.489247
  C      -5.625715     -2.757716      3.084222
  C      -5.442089     -1.758381      4.036072
  C      -5.217885     -0.364292      3.586284
  O      -5.735176      0.063603      2.538182
  N      -4.405782      0.435148      4.310653
  C      -3.450300      0.029241      5.132928
  C      -5.499873     -2.079160      5.390635
  C      -0.606876      8.337296      0.419430
  C      -0.739390      8.372124      1.944799
  C      -2.180652      8.254808      2.347616
  C      -2.994298      9.381681      2.412973
  C      -4.338408      9.271171      2.723428
  C      -4.893817      8.030043      2.980522
  C      -4.088958      6.895919      2.945634
  C      -4.701145      5.558334      3.188417
  O      -5.671696      5.188206      2.508047
  N      -4.169782      4.749570      4.130046
  C      -3.116956      5.072993      4.888494
  C      -2.740348      7.013143      2.619395
  C     -10.747872     -3.408088      6.902167
  C      -9.289977     -3.472061      6.437297
  C      -9.054153     -2.503157      5.314869
  C      -9.408484     -2.837801      4.012133
  C      -9.275047     -1.924594      2.981521
  C      -8.786241     -0.656983      3.238727
  C      -8.398647     -0.315425      4.528463
  C      -7.878416      1.049884      4.792380
  O      -8.318345      2.044662      4.164994
  N      -6.885596      1.136817      5.662075
  C      -6.510740      2.197480      6.353033
  C      -8.536001     -1.239317      5.556983
  H      -3.919247     -5.006135      7.118923
  H      -3.562194     -3.331254      7.541567
  H      -4.255248     -4.417197      8.750546
  H      -6.353042     -4.573929      7.447974
  H      -5.997561     -2.885679      7.852701
  H      -5.997906     -5.400917      5.145772
  H      -5.966436     -4.836945      2.749645
  H      -5.599177     -2.488213      2.038641
  H      -3.165197     -1.019892      5.284000
  H      -5.434937     -1.282421      6.119924
  H       0.437712      8.423516      0.132659
  H      -1.000156      7.402031      0.026166
  H      -1.162132      9.157074     -0.029096
  H      -0.167691      7.547037      2.372857
  H      -0.330071      9.311503      2.318427
  H      -2.570096     10.352973      2.209090
  H      -4.960839     10.151653      2.761983
  H      -5.942930      7.923069      3.214685
  H      -2.746049      6.097481      5.015090
  H      -2.132463      6.119550      2.550215
  H     -11.418315     -3.654163      6.082826
  H     -10.989184     -2.406060      7.250127
  H     -10.913848     -4.110204      7.715005
  H      -9.066132     -4.483714      6.097545
  H      -8.634543     -3.229073      7.273206
  H      -9.799248     -3.822730      3.805178
  H      -9.556646     -2.194448      1.974684
  H      -8.680259      0.076698      2.450752
  H      -7.238551      2.554118      7.110515
  H      -8.245171     -0.949027      6.557170
  N      -2.694421      2.452234      2.907480
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.466772320112
  N      -2.766992      1.033435      5.673345
  Mo     -3.920788      2.556318      4.661716
  N      -5.323768      2.760251      6.358048
  C      -5.012960      3.657612      7.460648
  C      -4.046078      2.979750      8.458006
  N      -2.753949      2.710676      7.861830
  C      -2.158347      1.405642      8.009679
  C      -1.710581      0.846878      6.635303
  C      -1.830172      3.818837      7.813009
  C      -1.415890      4.150581      6.356468
  N      -2.549413      4.023168      5.474834
  H      -0.809806      1.369869      6.288095
  H      -1.474384     -0.223276      6.737798
  H      -1.281934      1.427388      8.682158
  H      -2.900651      0.718673      8.431873
  H      -1.016698      5.175040      6.316876
  H      -0.634625      3.460253      6.012909
  H      -2.313415      4.704900      8.243458
  H      -0.918441      3.606556      8.396310
  H      -5.930086      3.941100      8.003292
  H      -4.550873      4.572066      7.068555
  H      -4.503754      2.035002      8.773748
  H      -3.957997      3.630347      9.347290
  C      -4.193391     -4.158668      7.759679
  C      -5.611135     -3.737072      7.343564
  C      -5.663486     -3.393475      5.878203
  C      -5.856300     -4.387531      4.915097
  C      -5.870335     -4.075230      3.558525
  C      -5.665539     -2.766210      3.140831
  C      -5.442538     -1.763124      4.087450
  C      -5.218825     -0.365897      3.623056
  O      -5.754328      0.064112      2.592875
  N      -4.383232      0.433531      4.353658
  C      -3.418796      0.022433      5.172620
  C      -5.466618     -2.082737      5.450015
  C      -0.644343      8.311255      0.333876
  C      -0.764536      8.363146      1.864733
  C      -2.202500      8.241931      2.295808
  C      -3.027026      9.368829      2.362788
  C      -4.372785      9.251809      2.698685
  C      -4.918618      8.004522      2.979660
  C      -4.103102      6.870747      2.943685
  C      -4.708094      5.528445      3.209111
  O      -5.683963      5.147740      2.552511
  N      -4.150367      4.729905      4.166971
  C      -3.088095      5.064765      4.918246
  C      -2.753764      6.994698      2.593564
  C     -10.736438     -3.504633      6.779764
  C      -9.289432     -3.516704      6.263976
  C      -9.091137     -2.483634      5.185226
  C      -9.472547     -2.753224      3.867798
  C      -9.366501     -1.779922      2.878810
  C      -8.880920     -0.517110      3.193821
  C      -8.465927     -0.239398      4.497115
  C      -7.938031      1.117984      4.817294
  O      -8.397399      2.133452      4.242317
  N      -6.910869      1.165814      5.676083
  C      -6.513818      2.202347      6.389654
  C      -8.575793     -1.222515      5.482327
  H      -3.869183     -5.029619      7.181867
  H      -3.482494     -3.344303      7.581881
  H      -4.168715     -4.416294      8.823474
  H      -6.306035     -4.558948      7.552292
  H      -5.918423     -2.865277      7.934197
  H      -6.012529     -5.416034      5.234087
  H      -6.042080     -4.854593      2.820736
  H      -5.673305     -2.497665      2.088530
  H      -3.135172     -1.027557      5.326691
  H      -5.374527     -1.281230      6.180129
  H       0.403528      8.400938      0.030137
  H      -1.037787      7.363913     -0.048990
  H      -1.212316      9.127252     -0.123594
  H      -0.179004      7.543588      2.298970
  H      -0.353091      9.313573      2.225828
  H      -2.609419     10.348337      2.139556
  H      -5.004408     10.135535      2.738054
  H      -5.969982      7.893591      3.232549
  H      -2.717470      6.091520      5.038798
  H      -2.135865      6.099720      2.523663
  H     -11.435327     -3.717955      5.965108
  H     -10.985176     -2.521694      7.192993
  H     -10.870748     -4.257678      7.563470
  H      -9.058676     -4.511176      5.862210
  H      -8.606650     -3.310668      7.096784
  H      -9.860897     -3.738202      3.615273
  H      -9.667518     -2.002088      1.857774
  H      -8.794065      0.260522      2.439409
  H      -7.232192      2.569272      7.152766
  H      -8.259629     -0.984108      6.496565
  N      -2.770124      2.449901      3.023794
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.505119359159
  N      -2.750799      1.039295      5.687659
  Mo     -3.905168      2.558917      4.670693
  N      -5.321748      2.764901      6.364263
  C      -5.011412      3.664213      7.473373
  C      -4.047758      2.986091      8.473935
  N      -2.749261      2.714378      7.883551
  C      -2.150252      1.410003      8.030215
  C      -1.696886      0.857567      6.654637
  C      -1.821237      3.819464      7.834867
  C      -1.401280      4.145022      6.379044
  N      -2.532644      4.022156      5.492167
  H      -0.794128      1.382795      6.311134
  H      -1.459064     -0.214639      6.753036
  H      -1.273454      1.430740      8.707088
  H      -2.893553      0.719335      8.450044
  H      -0.999491      5.170015      6.336090
  H      -0.618775      3.452642      6.037676
  H      -2.303814      4.709705      8.263083
  H      -0.909824      3.606355      8.423739
  H      -5.932049      3.949374      8.011274
  H      -4.546280      4.580233      7.085094
  H      -4.505745      2.039117      8.789264
  H      -3.963455      3.637978      9.365849
  C      -4.172754     -4.164837      7.754041
  C      -5.593185     -3.740045      7.343784
  C      -5.658036     -3.394696      5.877042
  C      -5.863227     -4.386463      4.908786
  C      -5.888612     -4.066323      3.549323
  C      -5.682117     -2.752622      3.133519
  C      -5.446079     -1.752809      4.084477
  C      -5.220605     -0.351817      3.617223
  O      -5.755236      0.083653      2.598774
  N      -4.369143      0.442147      4.361883
  C      -3.404302      0.023931      5.181800
  C      -5.460287     -2.080210      5.449280
  C      -0.633503      8.298970      0.312165
  C      -0.762590      8.358241      1.844050
  C      -2.202164      8.235249      2.277427
  C      -3.033237      9.362395      2.339426
  C      -4.383163      9.241871      2.677682
  C      -4.926579      7.991037      2.965707
  C      -4.104833      6.857211      2.934713
  C      -4.709079      5.512617      3.206473
  O      -5.680028      5.123326      2.559957
  N      -4.137329      4.722216      4.179727
  C      -3.074313      5.067037      4.930861
  C      -2.752217      6.984724      2.583307
  C     -10.723108     -3.538122      6.775292
  C      -9.281178     -3.527406      6.240237
  C      -9.099818     -2.483777      5.165358
  C      -9.489464     -2.745570      3.844639
  C      -9.397035     -1.758897      2.860294
  C      -8.917918     -0.491220      3.183512
  C      -8.494203     -0.221132      4.489660
  C      -7.970047      1.139860      4.818728
  O      -8.441787      2.152266      4.256939
  N      -6.926379      1.179437      5.677916
  C      -6.527889      2.207536      6.397002
  C      -8.590235     -1.217149      5.468652
  H      -3.850219     -5.039514      7.173969
  H      -3.457881     -3.349628      7.571392
  H      -4.139291     -4.423435      8.821250
  H      -6.291784     -4.561511      7.558207
  H      -5.896287     -2.865593      7.937894
  H      -6.021124     -5.419499      5.225788
  H      -6.071112     -4.844745      2.807838
  H      -5.700333     -2.479007      2.079507
  H      -3.122676     -1.026676      5.337295
  H      -5.359328     -1.281716      6.185483
  H       0.418383      8.390403      0.009381
  H      -1.023121      7.346270     -0.070636
  H      -1.202992      9.113102     -0.155213
  H      -0.174462      7.541242      2.286391
  H      -0.353511      9.313745      2.203451
  H      -2.617469     10.345695      2.110453
  H      -5.019081     10.127100      2.712935
  H      -5.980659      7.878503      3.219640
  H      -2.705685      6.095475      5.049515
  H      -2.128439      6.089726      2.517453
  H     -11.433151     -3.753997      5.966091
  H     -10.980983     -2.559177      7.201290
  H     -10.842236     -4.300966      7.557411
  H      -9.041966     -4.519029      5.827796
  H      -8.589076     -3.320632      7.069076
  H      -9.873023     -3.735179      3.585745
  H      -9.704154     -1.976423      1.836398
  H      -8.841536      0.294969      2.433488
  H      -7.239744      2.582717      7.162827
  H      -8.266690     -0.986109      6.485806
  N      -2.852027      2.461617      3.144291
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.528957087084
  N      -2.733717      1.038565      5.704871
  Mo     -3.887243      2.556626      4.681467
  N      -5.324491      2.767089      6.377631
  C      -5.012813      3.667249      7.490323
  C      -4.049562      2.990820      8.491829
  N      -2.746018      2.717801      7.906005
  C      -2.143682      1.413478      8.051909
  C      -1.683222      0.863712      6.677032
  C      -1.815070      3.822254      7.854696
  C      -1.387582      4.142177      6.399656
  N      -2.515453      4.021920      5.507851
  H      -0.778837      1.390133      6.337434
  H      -1.443158     -0.209199      6.773446
  H      -1.267715      1.434257      8.732649
  H      -2.887464      0.720373      8.469725
  H      -0.983958      5.167302      6.352317
  H      -0.603222      3.448705      6.062558
  H      -2.297819      4.715559      8.279301
  H      -0.904858      3.610440      8.448975
  H      -5.935326      3.954955      8.025221
  H      -4.545568      4.584281      7.104595
  H      -4.505658      2.042225      8.808314
  H      -3.967294      3.643854      9.384957
  C      -4.144525     -4.174341      7.754421
  C      -5.566059     -3.742240      7.354410
  C      -5.645797     -3.394644      5.888058
  C      -5.868488     -4.382583      4.917770
  C      -5.909359     -4.056341      3.558488
  C      -5.700519     -2.741066      3.144003
  C      -5.445895     -1.745531      4.096138
  C      -5.219068     -0.342980      3.623820
  O      -5.755967      0.099500      2.616154
  N      -4.353280      0.444301      4.376827
  C      -3.388495      0.021017      5.195458
  C      -5.445663     -2.078808      5.460689
  C      -0.638100      8.272618      0.286418
  C      -0.771126      8.340943      1.818096
  C      -2.209864      8.215770      2.256454
  C      -3.046465      9.340768      2.313851
  C      -4.396863      9.216677      2.656516
  C      -4.935487      7.964432      2.953280
  C      -4.108261      6.832809      2.926848
  C      -4.709910      5.486726      3.206798
  O      -5.678919      5.085357      2.572961
  N      -4.123496      4.709099      4.192556
  C      -3.060698      5.065463      4.940295
  C      -2.755798      6.964059      2.572271
  C     -10.692181     -3.574665      6.741552
  C      -9.259532     -3.532553      6.182592
  C      -9.102972     -2.467027      5.124350
  C      -9.505439     -2.707160      3.801904
  C      -9.433017     -1.698954      2.835056
  C      -8.962665     -0.431572      3.177804
  C      -8.525677     -0.182485      4.485289
  C      -8.006206      1.178042      4.834232
  O      -8.491096      2.193693      4.298780
  N      -6.945396      1.200857      5.684627
  C      -6.541434      2.216555      6.413470
  C      -8.601346     -1.199763      5.445552
  H      -3.828437     -5.051956      7.171852
  H      -3.425119     -3.362190      7.565759
  H      -4.100884     -4.433904      8.822846
  H      -6.269202     -4.559953      7.575991
  H      -5.860911     -2.865840      7.952270
  H      -6.029407     -5.417431      5.233300
  H      -6.107183     -4.832372      2.816123
  H      -5.734053     -2.463491      2.090094
  H      -3.109729     -1.030134      5.353712
  H      -5.332193     -1.284167      6.200959
  H       0.415047      8.366054     -0.017633
  H      -1.023827      7.315304     -0.093337
  H      -1.210105      9.082497     -0.189285
  H      -0.179257      7.528762      2.267575
  H      -0.364476      9.300690      2.173314
  H      -2.634462     10.325887      2.077850
  H      -5.036260     10.101444      2.688001
  H      -5.990068      7.850082      3.209881
  H      -2.695421      6.095945      5.054552
  H      -2.126641      6.070924      2.510350
  H     -11.415138     -3.785187      5.939971
  H     -10.958397     -2.606975      7.191741
  H     -10.790572     -4.354759      7.512008
  H      -9.011980     -4.514417      5.748027
  H      -8.555560     -3.333503      7.005215
  H      -9.882154     -3.697210      3.527715
  H      -9.749360     -1.901226      1.809226
  H      -8.901503      0.370066      2.441346
  H      -7.244541      2.601520      7.183177
  H      -8.266200     -0.986941      6.464483
  N      -2.938626      2.465956      3.262008
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.536826152240
  N      -2.699018      1.023613      5.746749
  Mo     -3.843605      2.540930      4.707910
  N      -5.332415      2.768441      6.398404
  C      -5.018785      3.663827      7.516658
  C      -4.057721      2.992143      8.522443
  N      -2.745723      2.719890      7.951308
  C      -2.143328      1.413403      8.099293
  C      -1.660712      0.861547      6.732720
  C      -1.813508      3.826584      7.893348
  C      -1.361671      4.133139      6.441670
  N      -2.477604      4.014781      5.536139
  H      -0.751576      1.387457      6.405124
  H      -1.417558     -0.211071      6.832332
  H      -1.276726      1.432815      8.793139
  H      -2.891982      0.719405      8.507569
  H      -0.953148      5.156550      6.386915
  H      -0.573087      3.436240      6.121778
  H      -2.300423      4.725051      8.302807
  H      -0.911357      3.623039      8.503901
  H      -5.942698      3.957642      8.046928
  H      -4.548191      4.582028      7.135748
  H      -4.509802      2.041752      8.840075
  H      -3.982984      3.646004      9.416448
  C      -4.093861     -4.203523      7.773475
  C      -5.516229     -3.752685      7.400859
  C      -5.624778     -3.399100      5.938017
  C      -5.890523     -4.377419      4.969096
  C      -5.964907     -4.042324      3.613954
  C      -5.744436     -2.729017      3.200671
  C      -5.442720     -1.744483      4.150228
  C      -5.206678     -0.343935      3.672809
  O      -5.753828      0.111239      2.678041
  N      -4.322367      0.432296      4.422290
  C      -3.353645      0.005713      5.233893
  C      -5.413013     -2.085152      5.511631
  C      -0.687550      8.222075      0.220763
  C      -0.803701      8.308189      1.752260
  C      -2.233745      8.176832      2.215846
  C      -3.078957      9.294879      2.273824
  C      -4.422479      9.163390      2.638367
  C      -4.946241      7.910305      2.955459
  C      -4.109997      6.785640      2.928116
  C      -4.699353      5.437238      3.225956
  O      -5.677615      5.019838      2.619238
  N      -4.089924      4.680130      4.217264
  C      -3.023360      5.050582      4.952986
  C      -2.764166      6.924912      2.555316
  C     -10.589130     -3.634193      6.643774
  C      -9.184043     -3.526409      6.028465
  C      -9.092173     -2.411275      5.015017
  C      -9.535972     -2.600632      3.697999
  C      -9.518473     -1.548444      2.776934
  C      -9.064935     -0.287035      3.161172
  C      -8.585436     -0.087476      4.461993
  C      -8.073007      1.265748      4.854142
  O      -8.594282      2.296803      4.390848
  N      -6.980783      1.256449      5.666331
  C      -6.559741      2.243361      6.423892
  C      -8.604838     -1.149090      5.374994
  H      -3.798046     -5.084298      7.184314
  H      -3.366819     -3.400854      7.571442
  H      -4.030252     -4.465482      8.840527
  H      -6.228195     -4.558961      7.637730
  H      -5.789492     -2.874744      8.007214
  H      -6.063439     -5.410726      5.283629
  H      -6.200943     -4.810319      2.874259
  H      -5.812081     -2.443807      2.150101
  H      -3.082580     -1.046457      5.400191
  H      -5.269237     -1.298004      6.254691
  H       0.360738      8.320654     -0.098823
  H      -1.069617      7.257272     -0.144414
  H      -1.271898      9.020805     -0.259576
  H      -0.197558      7.508623      2.206146
  H      -0.398410      9.274235      2.092648
  H      -2.678714     10.280971      2.021698
  H      -5.067810     10.043892      2.670708
  H      -5.996562      7.790652      3.226930
  H      -2.661843      6.083835      5.056528
  H      -2.126648      6.037497      2.495108
  H     -11.341578     -3.828103      5.864883
  H     -10.862704     -2.696039      7.149529
  H     -10.636715     -4.450774      7.380900
  H      -8.926380     -4.481275      5.541916
  H      -8.449780     -3.349052      6.829715
  H      -9.899208     -3.586348      3.391415
  H      -9.864382     -1.713239      1.753803
  H      -9.045387      0.547620      2.459659
  H      -7.255423      2.640089      7.195083
  H      -8.232457     -0.977662      6.388837
  N      -2.997486      2.445378      3.297527
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.543178111333
  N      -2.664026      1.013121      5.779498
  Mo     -3.792964      2.532816      4.726377
  N      -5.344677      2.772918      6.392520
  C      -5.033966      3.663032      7.516146
  C      -4.081278      2.995199      8.531696
  N      -2.758059      2.723023      7.985450
  C      -2.158816      1.414174      8.138298
  C      -1.644215      0.860738      6.784381
  C      -1.824791      3.830484      7.930757
  C      -1.338612      4.126445      6.487990
  N      -2.437810      4.012215      5.563587
  H      -0.728149      1.385605      6.475840
  H      -1.399681     -0.211647      6.889350
  H      -1.308265      1.430308      8.852276
  H      -2.916397      0.720109      8.529397
  H      -0.923908      5.147671      6.432723
  H      -0.544923      3.426567      6.189001
  H      -2.319155      4.732794      8.322130
  H      -0.936458      3.634425      8.564144
  H      -5.960856      3.962471      8.038128
  H      -4.559079      4.582632      7.141571
  H      -4.532082      2.043526      8.847394
  H      -4.020078      3.649224      9.426828
  C      -4.068341     -4.233606      7.760114
  C      -5.490343     -3.775887      7.398623
  C      -5.608941     -3.406728      5.940900
  C      -5.897070     -4.370086      4.964094
  C      -5.990057     -4.016999      3.615688
  C      -5.761155     -2.701902      3.215606
  C      -5.429835     -1.734008      4.171800
  C      -5.182538     -0.333122      3.701930
  O      -5.729832      0.137167      2.714138
  N      -4.286004      0.428282      4.452908
  C      -3.316408     -0.003195      5.258791
  C      -5.387740     -2.090754      5.527584
  C      -0.721952      8.191546      0.176417
  C      -0.824404      8.293164      1.706958
  C      -2.246660      8.154315      2.190593
  C      -3.100818      9.264774      2.248250
  C      -4.437928      9.125097      2.629941
  C      -4.946999      7.870876      2.963223
  C      -4.101422      6.753810      2.935872
  C      -4.677367      5.402887      3.247835
  O      -5.662719      4.971337      2.662738
  N      -4.049218      4.662088      4.239844
  C      -2.981451      5.042107      4.967791
  C      -2.761468      6.901931      2.549423
  C     -10.525023     -3.643042      6.627428
  C      -9.141088     -3.508011      5.973137
  C      -9.087338     -2.378824      4.973304
  C      -9.560482     -2.554914      3.665387
  C      -9.578533     -1.489594      2.760717
  C      -9.135581     -0.227348      3.153293
  C      -8.624056     -0.040726      4.443183
  C      -8.117214      1.313205      4.845522
  O      -8.671934      2.346356      4.428895
  N      -6.999512      1.296630      5.620270
  C      -6.576758      2.267885      6.397323
  C      -8.604143     -1.116926      5.338021
  H      -3.776070     -5.109892      7.162541
  H      -3.339716     -3.431534      7.560313
  H      -3.997809     -4.504590      8.824243
  H      -6.206704     -4.578551      7.635154
  H      -5.758503     -2.903631      8.015568
  H      -6.079079     -5.404531      5.268582
  H      -6.249402     -4.772527      2.871291
  H      -5.850804     -2.401390      2.170946
  H      -3.054194     -1.056935      5.430690
  H      -5.227857     -1.316004      6.279982
  H       0.321665      8.296247     -0.155583
  H      -1.098766      7.219974     -0.175951
  H      -1.318039      8.979145     -0.307779
  H      -0.204621      7.506414      2.165073
  H      -0.422045      9.264819      2.034823
  H      -2.712193     10.251852      1.983123
  H      -5.089575     10.000641      2.662784
  H      -5.993441      7.744900      3.245843
  H      -2.623385      6.077454      5.065134
  H      -2.115351      6.020771      2.491793
  H     -11.298643     -3.836094      5.869275
  H     -10.797130     -2.716180      7.154355
  H     -10.542033     -4.469988      7.354063
  H      -8.881958     -4.453118      5.469168
  H      -8.384617     -3.336008      6.754376
  H      -9.917695     -3.540744      3.352960
  H      -9.945909     -1.645228      1.743817
  H      -9.145852      0.617780      2.464048
  H      -7.274290      2.670663      7.163623
  H      -8.204557     -0.957700      6.343154
  N      -3.022263      2.432365      3.269211
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.548403049906
  N      -2.626555      1.008507      5.793954
  Mo     -3.736302      2.534950      4.733440
  N      -5.355849      2.775416      6.358367
  C      -5.048855      3.663321      7.483540
  C      -4.109102      2.998558      8.512279
  N      -2.773661      2.724691      7.997606
  C      -2.178843      1.415064      8.157577
  C      -1.627650      0.861346      6.818880
  C      -1.839616      3.830621      7.958858
  C      -1.314950      4.123786      6.530860
  N      -2.396318      4.016283      5.586974
  H      -0.703961      1.384712      6.532917
  H      -1.383280     -0.210781      6.930976
  H      -1.348447      1.427689      8.895169
  H      -2.947089      0.721075      8.526816
  H      -0.894833      5.143489      6.484919
  H      -0.515548      3.423585      6.250724
  H      -2.343644      4.734135      8.334063
  H      -0.968996      3.638321      8.617861
  H      -5.979129      3.968147      7.995739
  H      -4.569609      4.583771      7.113934
  H      -4.561632      2.046562      8.824776
  H      -4.064248      3.653290      9.407733
  C      -4.069881     -4.252224      7.714905
  C      -5.489920     -3.800391      7.343436
  C      -5.596906     -3.410866      5.890618
  C      -5.881085     -4.357945      4.897292
  C      -5.972027     -3.982221      3.555456
  C      -5.740234     -2.661541      3.177935
  C      -5.405216     -1.711005      4.150172
  C      -5.145998     -0.307509      3.697735
  O      -5.681873      0.179733      2.712157
  N      -4.242112      0.434186      4.460313
  C      -3.276532     -0.004970      5.261862
  C      -5.370484     -2.088836      5.499534
  C      -0.732032      8.193779      0.168003
  C      -0.832368      8.305732      1.696643
  C      -2.250592      8.155062      2.187328
  C      -3.116505      9.256212      2.240822
  C      -4.450221      9.104758      2.628517
  C      -4.944624      7.847422      2.970747
  C      -4.086977      6.739689      2.947493
  C      -4.647506      5.384976      3.268656
  O      -5.633057      4.936987      2.697178
  N      -4.003609      4.657483      4.260599
  C      -2.939518      5.044211      4.986702
  C      -2.750288      6.899977      2.556982
  C     -10.549594     -3.590305      6.704905
  C      -9.167115     -3.485314      6.045042
  C      -9.102429     -2.383665      5.016503
  C      -9.577870     -2.588790      3.713918
  C      -9.592645     -1.545040      2.785284
  C      -9.148552     -0.274591      3.148808
  C      -8.630892     -0.059911      4.431496
  C      -8.126466      1.304298      4.807405
  O      -8.699556      2.327176      4.390970
  N      -6.992289      1.303728      5.556175
  C      -6.587852      2.278962      6.337880
  C      -8.608650     -1.116942      5.348713
  H      -3.762465     -5.118414      7.110342
  H      -3.344878     -3.442547      7.532716
  H      -4.007495     -4.535775      8.775989
  H      -6.206870     -4.607165      7.563846
  H      -5.771246     -2.938734      7.969717
  H      -6.066625     -5.396453      5.184479
  H      -6.232944     -4.724773      2.798880
  H      -5.832643     -2.342768      2.139074
  H      -3.023234     -1.061087      5.434218
  H      -5.212717     -1.328855      6.267261
  H       0.309128      8.307706     -0.167821
  H      -1.098836      7.216003     -0.177414
  H      -1.337715      8.970506     -0.321647
  H      -0.201249      7.531487      2.160931
  H      -0.437898      9.282875      2.018049
  H      -2.739468     10.245573      1.968285
  H      -5.110267      9.973885      2.658925
  H      -5.988905      7.712260      3.256585
  H      -2.585937      6.081392      5.083860
  H      -2.093556      6.026541      2.504256
  H     -11.327786     -3.795702      5.954737
  H     -10.813301     -2.648112      7.208258
  H     -10.573797     -4.397628      7.452808
  H      -8.914950     -4.446062      5.568260
  H      -8.406081     -3.303921      6.819281
  H      -9.940649     -3.579686      3.425530
  H      -9.962460     -1.723642      1.773148
  H      -9.162225      0.555211      2.440927
  H      -7.296548      2.685033      7.091259
  H      -8.204731     -0.937783      6.348597
  N      -3.041468      2.435809      3.230163
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.552567162411
  N      -2.594448      0.996271      5.820306
  Mo     -3.694321      2.527051      4.761943
  N      -5.356143      2.775997      6.347439
  C      -5.036975      3.660611      7.469537
  C      -4.103292      2.999891      8.505173
  N      -2.761847      2.724568      8.010028
  C      -2.171774      1.415392      8.179038
  C      -1.602838      0.854903      6.851969
  C      -1.827262      3.829149      7.974823
  C      -1.279699      4.113391      6.554314
  N      -2.354489      4.009434      5.603867
  H      -0.675605      1.374576      6.572889
  H      -1.358207     -0.215653      6.975198
  H      -1.353933      1.427525      8.930181
  H      -2.947021      0.724188      8.537935
  H      -0.852418      5.130184      6.510937
  H      -0.480461      3.409156      6.286826
  H      -2.336580      4.735559      8.334705
  H      -0.968383      3.642915      8.650597
  H      -5.964625      3.974292      7.980998
  H      -4.554889      4.578809      7.097727
  H      -4.556351      2.049190      8.820526
  H      -4.067019      3.658386      9.397727
  C      -4.055434     -4.256485      7.740780
  C      -5.478127     -3.801859      7.388421
  C      -5.603264     -3.405073      5.939528
  C      -5.911317     -4.344698      4.946880
  C      -6.017989     -3.962138      3.608399
  C      -5.777223     -2.642734      3.233383
  C      -5.418696     -1.699726      4.204981
  C      -5.147144     -0.299128      3.753081
  O      -5.684330      0.196967      2.773306
  N      -4.225008      0.427521      4.508594
  C      -3.253411     -0.016368      5.294345
  C      -5.369813     -2.083344      5.551243
  C      -0.780160      8.156384      0.133876
  C      -0.863319      8.284980      1.660930
  C      -2.274074      8.131406      2.170425
  C      -3.145690      9.227700      2.222925
  C      -4.473372      9.072726      2.628423
  C      -4.956212      7.816271      2.988735
  C      -4.092290      6.713623      2.966503
  C      -4.639421      5.359544      3.308484
  O      -5.633027      4.898729      2.762879
  N      -3.971982      4.644717      4.293978
  C      -2.900896      5.035848      5.002344
  C      -2.761620      6.877620      2.559215
  C     -10.468791     -3.626117      6.625708
  C      -9.108230     -3.489169      5.930274
  C      -9.083515     -2.358531      4.932922
  C      -9.597020     -2.530689      3.640059
  C      -9.652853     -1.460066      2.744742
  C      -9.212222     -0.195945      3.132948
  C      -8.656270     -0.013337      4.404130
  C      -8.161543      1.346458      4.809743
  O      -8.768269      2.371211      4.450735
  N      -6.996480      1.339253      5.507409
  C      -6.592629      2.298473      6.308333
  C      -8.591866     -1.097204      5.287026
  H      -3.754879     -5.119851      7.129633
  H      -3.332206     -3.447434      7.553142
  H      -3.979956     -4.544166      8.799272
  H      -6.193915     -4.607130      7.615429
  H      -5.751571     -2.943658      8.022639
  H      -6.102115     -5.382116      5.232288
  H      -6.296719     -4.698631      2.853061
  H      -5.880649     -2.318740      2.197739
  H      -3.009361     -1.074547      5.468622
  H      -5.193449     -1.330370      6.321508
  H       0.255657      8.272960     -0.215324
  H      -1.144772      7.173241     -0.196878
  H      -1.395961      8.923180     -0.357735
  H      -0.221208      7.521590      2.127654
  H      -0.469851      9.266875      1.967866
  H      -2.777910     10.215841      1.936107
  H      -5.137153      9.938313      2.658673
  H      -5.995942      7.678077      3.287590
  H      -2.546022      6.073529      5.090175
  H      -2.099752      6.008559      2.508877
  H     -11.266737     -3.817971      5.893651
  H     -10.727107     -2.701782      7.162784
  H     -10.464346     -4.453876      7.350376
  H      -8.859119     -4.433882      5.420991
  H      -8.326217     -3.323959      6.686946
  H      -9.958027     -3.516068      3.333588
  H     -10.051905     -1.613162      1.740087
  H      -9.260634      0.654624      2.452097
  H      -7.304608      2.708427      7.055589
  H      -8.157292     -0.944505      6.278013
  N      -3.095596      2.418043      3.214816
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.556255182112
  N      -2.553910      0.991565      5.816335
  Mo     -3.637868      2.529366      4.758582
  N      -5.351699      2.767251      6.278576
  C      -5.042845      3.649379      7.403677
  C      -4.129009      2.992337      8.459482
  N      -2.773809      2.719946      8.001400
  C      -2.187255      1.410631      8.180365
  C      -1.583092      0.852095      6.867838
  C      -1.840652      3.826259      7.989239
  C      -1.255668      4.110832      6.583798
  N      -2.312872      4.011163      5.613867
  H      -0.650501      1.372895      6.609977
  H      -1.337558     -0.216909      6.999622
  H      -1.391994      1.419874      8.955554
  H      -2.971922      0.717552      8.514650
  H      -0.824446      5.126437      6.554391
  H      -0.451826      3.405872      6.333366
  H      -2.362022      4.732492      8.332260
  H      -1.001455      3.644743      8.690754
  H      -5.977898      3.964345      7.901459
  H      -4.558271      4.568811      7.038824
  H      -4.585926      2.040916      8.767126
  H      -4.117514      3.652119      9.351818
  C      -4.060030     -4.265272      7.715870
  C      -5.478253     -3.810624      7.347805
  C      -5.586699     -3.404193      5.900079
  C      -5.892786     -4.336053      4.899856
  C      -5.995035     -3.943514      3.563868
  C      -5.749034     -2.622440      3.198904
  C      -5.385670     -1.687995      4.177410
  C      -5.102799     -0.287022      3.733348
  O      -5.627410      0.215449      2.750940
  N      -4.180604      0.428440      4.501526
  C      -3.210622     -0.020464      5.281439
  C      -5.343584     -2.080507      5.521330
  C      -0.784017      8.187933      0.146876
  C      -0.865073      8.317341      1.673548
  C      -2.273134      8.151809      2.186553
  C      -3.154055      9.240484      2.240903
  C      -4.479603      9.074077      2.649025
  C      -4.951082      7.813325      3.009295
  C      -4.077672      6.718188      2.985426
  C      -4.611269      5.359380      3.327777
  O      -5.606927      4.891703      2.792599
  N      -3.930090      4.647735      4.307371
  C      -2.860122      5.040008      5.014748
  C      -2.748992      6.893863      2.576496
  C     -10.525120     -3.556128      6.723751
  C      -9.161388     -3.469812      6.027146
  C      -9.114511     -2.376560      4.990310
  C      -9.627828     -2.587023      3.703140
  C      -9.669516     -1.547096      2.771962
  C      -9.219744     -0.274519      3.119671
  C      -8.660295     -0.055776      4.383329
  C      -8.158493      1.313564      4.747069
  O      -8.783286      2.327299      4.388589
  N      -6.973542      1.326337      5.412515
  C      -6.588740      2.293732      6.211934
  C      -8.604174     -1.111077      5.300687
  H      -3.749615     -5.124534      7.103982
  H      -3.335704     -3.454682      7.542060
  H      -3.997491     -4.558642      8.773584
  H      -6.196904     -4.616849      7.561932
  H      -5.761561     -2.957086      7.984087
  H      -6.090341     -5.374103      5.177847
  H      -6.277036     -4.673127      2.803207
  H      -5.855536     -2.289250      2.166454
  H      -2.972012     -1.080731      5.451801
  H      -5.167145     -1.334398      6.298329
  H       0.249892      8.313506     -0.204684
  H      -1.140637      7.201478     -0.182529
  H      -1.407610      8.948502     -0.344456
  H      -0.214535      7.561228      2.140489
  H      -0.478701      9.302341      1.979529
  H      -2.795315     10.231749      1.953781
  H      -5.150263      9.934155      2.681361
  H      -5.989211      7.665897      3.309050
  H      -2.508232      6.078398      5.106924
  H      -2.079285      6.031040      2.525565
  H     -11.325677     -3.759198      5.997668
  H     -10.767397     -2.608549      7.226597
  H     -10.537570     -4.357173      7.477711
  H      -8.927979     -4.437045      5.553981
  H      -8.376947     -3.293946      6.778537
  H     -10.000637     -3.577675      3.429990
  H     -10.068736     -1.729781      1.772415
  H      -9.262619      0.553861      2.411720
  H      -7.314949      2.710115      6.941157
  H      -8.166615     -0.931470      6.285692
  N      -3.113829      2.425424      3.189808
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.559785535980
  N      -2.518771      0.981745      5.808902
  Mo     -3.597029      2.526296      4.763055
  N      -5.335692      2.753981      6.214653
  C      -5.030308      3.631054      7.343538
  C      -4.132818      2.975746      8.414899
  N      -2.767347      2.709496      7.985732
  C      -2.182115      1.400663      8.173273
  C      -1.557597      0.842996      6.869852
  C      -1.838052      3.819529      7.990189
  C      -1.228582      4.103878      6.594296
  N      -2.276229      4.006549      5.613238
  H      -0.623509      1.365747      6.621852
  H      -1.309707     -0.224218      7.009339
  H      -1.402702      1.408575      8.964262
  H      -2.972176      0.705723      8.490913
  H      -0.793860      5.118036      6.575460
  H      -0.423688      3.396593      6.354820
  H      -2.370135      4.724954      8.318859
  H      -1.013466      3.644440      8.710247
  H      -5.970095      3.946254      7.832878
  H      -4.545438      4.551916      6.984232
  H      -4.592289      2.023007      8.714319
  H      -4.144043      3.635980      9.306887
  C      -4.065634     -4.251987      7.746469
  C      -5.483082     -3.797513      7.374957
  C      -5.590165     -3.395290      5.925893
  C      -5.906853     -4.329080      4.931080
  C      -6.010673     -3.941543      3.593544
  C      -5.755140     -2.624275      3.222095
  C      -5.379887     -1.688482      4.194950
  C      -5.085516     -0.291795      3.743876
  O      -5.602206      0.204454      2.755003
  N      -4.159061      0.420456      4.512220
  C      -3.180985     -0.030909      5.277375
  C      -5.336682     -2.075160      5.540473
  C      -0.809137      8.198978      0.149144
  C      -0.876767      8.330253      1.676397
  C      -2.280302      8.162824      2.201196
  C      -3.162235      9.250215      2.262767
  C      -4.484306      9.081822      2.681506
  C      -4.951213      7.820240      3.044790
  C      -4.076579      6.726340      3.014064
  C      -4.603553      5.366455      3.360542
  O      -5.608799      4.901449      2.841375
  N      -3.905143      4.650337      4.325588
  C      -2.827824      5.039352      5.022290
  C      -2.751126      6.904147      2.594840
  C     -10.515154     -3.544567      6.728929
  C      -9.157844     -3.468361      6.018336
  C      -9.118900     -2.380402      4.975591
  C      -9.648999     -2.596020      3.696037
  C      -9.703327     -1.559802      2.761280
  C      -9.251263     -0.285315      3.098994
  C      -8.674065     -0.062272      4.353730
  C      -8.173974      1.309261      4.709050
  O      -8.820299      2.317897      4.376342
  N      -6.960146      1.330569      5.323580
  C      -6.578212      2.294157      6.126158
  C      -8.602207     -1.114585      5.273599
  H      -3.755221     -5.113263      7.137634
  H      -3.340444     -3.442757      7.571297
  H      -4.005459     -4.541947      8.805196
  H      -6.201938     -4.603010      7.590712
  H      -5.767332     -2.942456      8.008726
  H      -6.111801     -5.364098      5.214523
  H      -6.301717     -4.671864      2.837123
  H      -5.864612     -2.293831      2.189108
  H      -2.945361     -1.092828      5.441878
  H      -5.150834     -1.327387      6.313628
  H       0.221452      8.326015     -0.211344
  H      -1.167001      7.211542     -0.175588
  H      -1.438428      8.957809     -0.337330
  H      -0.220648      7.576216      2.138674
  H      -0.489101      9.316016      1.977917
  H      -2.807281     10.241987      1.973083
  H      -5.155724      9.940938      2.719918
  H      -5.986789      7.670687      3.351964
  H      -2.474670      6.077174      5.115599
  H      -2.080705      6.042399      2.538960
  H     -11.323489     -3.747868      6.011789
  H     -10.747882     -2.593057      7.228609
  H     -10.523301     -4.341431      7.487252
  H      -8.933257     -4.439232      5.548553
  H      -8.365108     -3.292232      6.760821
  H     -10.025750     -3.587489      3.431898
  H     -10.115274     -1.746263      1.767730
  H      -9.307196      0.540956      2.389608
  H      -7.310876      2.722122      6.841340
  H      -8.149194     -0.932388      6.250978
  N      -3.153564      2.422770      3.169633
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.563213928253
  N      -2.491306      0.971645      5.786686
  Mo     -3.567221      2.523889      4.757583
  N      -5.313703      2.734801      6.127820
  C      -5.020992      3.607742      7.264719
  C      -4.144064      2.952759      8.354356
  N      -2.767657      2.694983      7.956233
  C      -2.181704      1.386943      8.152359
  C      -1.538560      0.832620      6.856179
  C      -1.843278      3.809731      7.980761
  C      -1.211145      4.096669      6.594359
  N      -2.249583      4.001709      5.602177
  H      -0.604708      1.360010      6.617055
  H      -1.286802     -0.232581      7.000989
  H      -1.417487      1.394428      8.957712
  H      -2.975415      0.688659      8.453721
  H      -0.774238      5.109798      6.587079
  H      -0.405811      3.386843      6.364336
  H      -2.386598      4.713199      8.296692
  H      -1.033238      3.639771      8.718017
  H      -5.969163      3.918694      7.740718
  H      -4.536726      4.532077      6.915599
  H      -4.606653      1.997629      8.640900
  H      -4.182945      3.611899      9.246442
  C      -4.070507     -4.236760      7.786932
  C      -5.485950     -3.779819      7.408699
  C      -5.590027     -3.389286      5.955889
  C      -5.916932     -4.331060      4.971961
  C      -6.020916     -3.957052      3.630330
  C      -5.756179     -2.645828      3.244486
  C      -5.370879     -1.702363      4.205898
  C      -5.067974     -0.311481      3.738667
  O      -5.574746      0.166608      2.736634
  N      -4.145851      0.408742      4.507917
  C      -3.158258     -0.042417      5.259754
  C      -5.326161     -2.075250      5.555750
  C      -0.824966      8.229090      0.164124
  C      -0.876835      8.352186      1.693328
  C      -2.276436      8.187213      2.229865
  C      -3.152994      9.278038      2.306837
  C      -4.472318      9.112153      2.735785
  C      -4.941649      7.849845      3.093759
  C      -4.072302      6.752283      3.048281
  C      -4.600947      5.391592      3.389518
  O      -5.619065      4.941897      2.882096
  N      -3.890978      4.659539      4.335021
  C      -2.805713      5.040680      5.024008
  C      -2.749263      6.927724      2.618762
  C     -10.512922     -3.518862      6.758559
  C      -9.160762     -3.461947      6.034811
  C      -9.127037     -2.389247      4.975854
  C      -9.672123     -2.621384      3.705350
  C      -9.735427     -1.598199      2.756521
  C      -9.278954     -0.319444      3.072120
  C      -8.685846     -0.081412      4.316725
  C      -8.182733      1.293542      4.649328
  O      -8.849082      2.296335      4.342787
  N      -6.942651      1.325304      5.216575
  C      -6.563002      2.285909      6.018942
  C      -8.602528     -1.121286      5.249990
  H      -3.763366     -5.104078      7.185003
  H      -3.341663     -3.432119      7.607324
  H      -4.014927     -4.518672      8.848198
  H      -6.206003     -4.582990      7.628984
  H      -5.769317     -2.919375      8.035598
  H      -6.129445     -5.361384      5.267101
  H      -6.320130     -4.692718      2.882184
  H      -5.868145     -2.324370      2.208885
  H      -2.922274     -1.105649      5.415375
  H      -5.130381     -1.320199      6.319473
  H       0.202792      8.354123     -0.205369
  H      -1.190125      7.244667     -0.161719
  H      -1.456204      8.993388     -0.311220
  H      -0.219376      7.592604      2.144434
  H      -0.482470      9.334886      1.996099
  H      -2.796348     10.270468      2.021117
  H      -5.139895      9.973751      2.786503
  H      -5.975386      7.701672      3.408055
  H      -2.450172      6.077105      5.123024
  H      -2.083563      6.063171      2.551111
  H     -11.328106     -3.727743      6.050850
  H     -10.734493     -2.558088      7.245456
  H     -10.518554     -4.304374      7.528743
  H      -8.947007     -4.441128      5.577348
  H      -8.360864     -3.278871      6.767827
  H     -10.054087     -3.615632      3.459425
  H     -10.158549     -1.797219      1.770075
  H      -9.344103      0.497663      2.352956
  H      -7.301941      2.729782      6.716970
  H      -8.135248     -0.927516      6.218454
  N      -3.192150      2.423363      3.147026
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.565987861569
  N      -2.460677      0.962111      5.758997
  Mo     -3.539215      2.519399      4.747252
  N      -5.292165      2.714329      6.049845
  C      -5.009971      3.583626      7.194653
  C      -4.148018      2.929064      8.297265
  N      -2.762176      2.680487      7.924545
  C      -2.174052      1.374078      8.126627
  C      -1.515508      0.823949      6.836174
  C      -1.842794      3.799788      7.965248
  C      -1.191382      4.089184      6.587110
  N      -2.221483      3.996950      5.585116
  H      -0.582463      1.356461      6.605113
  H      -1.259271     -0.239592      6.983956
  H      -1.421818      1.382040      8.942898
  H      -2.969752      0.672402      8.415081
  H      -0.752359      5.101400      6.589102
  H      -0.385832      3.377175      6.365113
  H      -2.396387      4.700973      8.270553
  H      -1.044767      3.634905      8.716768
  H      -5.965241      3.889192      7.660126
  H      -4.527368      4.512044      6.855226
  H      -4.611360      1.970633      8.572011
  H      -4.209961      3.586019      9.190497
  C      -4.086899     -4.205997      7.833671
  C      -5.498451     -3.750392      7.439645
  C      -5.592246     -3.377695      5.981764
  C      -5.923891     -4.330496      5.010654
  C      -6.020314     -3.974248      3.664251
  C      -5.744461     -2.670260      3.261219
  C      -5.355120     -1.716204      4.209468
  C      -5.041806     -0.332743      3.722979
  O      -5.529560      0.124867      2.702949
  N      -4.129539      0.396660      4.495849
  C      -3.133541     -0.052693      5.239944
  C      -5.316236     -2.071228      5.564073
  C      -0.846784      8.251783      0.179138
  C      -0.881776      8.367514      1.709849
  C      -2.276896      8.207078      2.260587
  C      -3.146711      9.301882      2.354367
  C      -4.462674      9.140437      2.796490
  C      -4.935180      7.878788      3.151028
  C      -4.072438      6.777042      3.089108
  C      -4.604320      5.417077      3.426884
  O      -5.637907      4.984015      2.935400
  N      -3.879183      4.668384      4.348828
  C      -2.784716      5.041986      5.022833
  C      -2.752701      6.948211      2.646118
  C     -10.526907     -3.495845      6.777217
  C      -9.175915     -3.454817      6.052175
  C      -9.139370     -2.398572      4.978816
  C      -9.687732     -2.648493      3.714796
  C      -9.751078     -1.639869      2.753048
  C      -9.292689     -0.357212      3.049899
  C      -8.695905     -0.102341      4.287555
  C      -8.192470      1.276159      4.601519
  O      -8.870834      2.271382      4.307704
  N      -6.928485      1.319793      5.123952
  C      -6.548287      2.277798      5.924730
  C      -8.610517     -1.128167      5.233095
  H      -3.778511     -5.081382      7.244325
  H      -3.354468     -3.405522      7.649774
  H      -4.040655     -4.475248      8.898492
  H      -6.220455     -4.550799      7.664346
  H      -5.784879     -2.882437      8.054369
  H      -6.145465     -5.355169      5.319573
  H      -6.323058     -4.717769      2.925931
  H      -5.852245     -2.361490      2.222064
  H      -2.894412     -1.116037      5.390328
  H      -5.114201     -1.307125      6.316855
  H       0.177822      8.373421     -0.200770
  H      -1.220338      7.271040     -0.147107
  H      -1.479308      9.021435     -0.284978
  H      -0.223533      7.602471      2.149504
  H      -0.479433      9.346513      2.013064
  H      -2.787706     10.293918      2.071428
  H      -5.125264     10.005041      2.860449
  H      -5.966637      7.733691      3.474902
  H      -2.428300      6.077465      5.128319
  H      -2.092725      6.080602      2.565533
  H     -11.343138     -3.712090      6.074018
  H     -10.741970     -2.527218      7.249164
  H     -10.535297     -4.269392      7.558071
  H      -8.968457     -4.441167      5.609347
  H      -8.374973     -3.263101      6.780454
  H     -10.072219     -3.645497      3.484146
  H     -10.176236     -1.852627      1.771598
  H      -9.360051      0.449389      2.321402
  H      -7.290896      2.738425      6.608182
  H      -8.138111     -0.921879      6.194968
  N      -3.228731      2.426353      3.121015
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.566672476702
  N      -2.445307      0.960349      5.729147
  Mo     -3.529871      2.521851      4.736215
  N      -5.278204      2.700450      5.970235
  C      -5.013813      3.564174      7.130027
  C      -4.167490      2.905423      8.242095
  N      -2.773470      2.668513      7.893342
  C      -2.179288      1.365108      8.099002
  C      -1.507491      0.823487      6.812967
  C      -1.859975      3.792288      7.952429
  C      -1.189553      4.086534      6.584226
  N      -2.209106      3.999764      5.570668
  H      -0.577738      1.364122      6.590079
  H      -1.244363     -0.238295      6.959150
  H      -1.436927      1.374919      8.922774
  H      -2.973621      0.658100      8.376334
  H      -0.748483      5.097984      6.595991
  H      -0.384210      3.372043      6.370064
  H      -2.423525      4.690118      8.249498
  H      -1.074120      3.629979      8.716385
  H      -5.978033      3.859661      7.581737
  H      -4.533138      4.499291      6.807296
  H      -4.629789      1.941558      8.499989
  H      -4.252508      3.555404      9.138255
  C      -4.065474     -4.189770      7.874795
  C      -5.478844     -3.730241      7.482408
  C      -5.580305     -3.372915      6.018040
  C      -5.928908     -4.335981      5.057496
  C      -6.035015     -3.996649      3.704829
  C      -5.752434     -2.699743      3.284447
  C      -5.346411     -1.735228      4.220320
  C      -5.027616     -0.360002      3.707660
  O      -5.503628      0.069446      2.669818
  N      -4.129656      0.388575      4.480405
  C      -3.123152     -0.054860      5.220315
  C      -5.297342     -2.073406      5.582333
  C      -0.848339      8.258557      0.191012
  C      -0.867102      8.373985      1.723768
  C      -2.258811      8.228897      2.288818
  C      -3.113492      9.333934      2.394372
  C      -4.427010      9.186720      2.849910
  C      -4.912046      7.929583      3.206370
  C      -4.064512      6.817439      3.132837
  C      -4.612121      5.462167      3.469479
  O      -5.662894      5.053484      2.991451
  N      -3.879430      4.689682      4.366151
  C      -2.777202      5.052541      5.026579
  C      -2.747264      6.974506      2.676027
  C     -10.521345     -3.496795      6.823835
  C      -9.169756     -3.475634      6.066088
  C      -9.146709     -2.419980      4.970743
  C      -9.718440     -2.672708      3.705371
  C      -9.798540     -1.661788      2.725467
  C      -9.335824     -0.372928      3.005830
  C      -8.715379     -0.116172      4.244052
  C      -8.212978      1.270587      4.540406
  O      -8.917281      2.273679      4.273093
  N      -6.923193      1.319875      5.022333
  C      -6.542324      2.273880      5.827577
  C      -8.610281     -1.145634      5.207331
  H      -3.765207     -5.073543      7.291356
  H      -3.328003     -3.395787      7.680519
  H      -4.016496     -4.448657      8.943992
  H      -6.202798     -4.527181      7.717791
  H      -5.759791     -2.854630      8.091546
  H      -6.156136     -5.355310      5.380182
  H      -6.351600     -4.747803      2.975001
  H      -5.870562     -2.402956      2.239721
  H      -2.876866     -1.117192      5.368102
  H      -5.078975     -1.300583      6.325643
  H       0.174145      8.368916     -0.198960
  H      -1.236710      7.281514     -0.131756
  H      -1.476282      9.036032     -0.266817
  H      -0.214211      7.600408      2.156531
  H      -0.450465      9.349050      2.023552
  H      -2.744703     10.322921      2.109723
  H      -5.078470     10.059065      2.922804
  H      -5.942436      7.795443      3.539484
  H      -2.418231      6.086209      5.142582
  H      -2.099711      6.098759      2.585375
  H     -11.352173     -3.709622      6.128043
  H     -10.731059     -2.515288      7.295357
  H     -10.519948     -4.271120      7.621310
  H      -8.968903     -4.473560      5.624592
  H      -8.355273     -3.285272      6.787457
  H     -10.108812     -3.673886      3.488577
  H     -10.242786     -1.876832      1.743615
  H      -9.420248      0.437180      2.264333
  H      -7.286663      2.748862      6.497644
  H      -8.117583     -0.938509      6.170094
  N      -3.263371      2.437459      3.102577
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.569390778215
  N      -2.424870      0.941275      5.689149
  Mo     -3.515892      2.507061      4.712142
  N      -5.257947      2.671798      5.886157
  C      -5.016980      3.529137      7.064266
  C      -4.183708      2.864475      8.182791
  N      -2.781534      2.639781      7.855383
  C      -2.183192      1.338265      8.065585
  C      -1.496861      0.804307      6.783218
  C      -1.871557      3.766105      7.931841
  C      -1.179940      4.065464      6.572698
  N      -2.187480      3.986594      5.543749
  H      -0.567809      1.351748      6.569953
  H      -1.228983     -0.257022      6.926093
  H      -1.448389      1.349423      8.897292
  H      -2.978502      0.627529      8.333802
  H      -0.735339      5.075071      6.593012
  H      -0.374662      3.347306      6.367698
  H      -2.443562      4.660776      8.222120
  H      -1.096436      3.603443      8.707628
  H      -5.991127      3.811703      7.500313
  H      -4.538500      4.471597      6.761133
  H      -4.642134      1.894323      8.422855
  H      -4.289360      3.505151      9.082530
  C      -4.107059     -4.159936      7.925344
  C      -5.513610     -3.701819      7.511129
  C      -5.599812     -3.371428      6.041159
  C      -5.948709     -4.349911      5.098610
  C      -6.032958     -4.037266      3.739754
  C      -5.730582     -2.751916      3.296276
  C      -5.330193     -1.771756      4.214850
  C      -4.995275     -0.409223      3.672785
  O      -5.445070     -0.011150      2.611113
  N      -4.120577      0.363248      4.449313
  C      -3.107798     -0.073217      5.190405
  C      -5.300453     -2.084197      5.582131
  C      -0.890319      8.320956      0.197737
  C      -0.876694      8.415295      1.731493
  C      -2.257818      8.268327      2.322819
  C      -3.105068      9.376704      2.461551
  C      -4.410961      9.229283      2.939696
  C      -4.895410      7.968738      3.286316
  C      -4.054806      6.852463      3.181054
  C      -4.608779      5.495489      3.506212
  O      -5.677484      5.115740      3.047744
  N      -3.869863      4.695818      4.371757
  C      -2.760980      5.046872      5.019317
  C      -2.745222      7.010140      2.701166
  C     -10.523309     -3.410123      6.854330
  C      -9.177383     -3.414375      6.113800
  C      -9.143673     -2.408965      4.994099
  C      -9.712432     -2.705915      3.746759
  C      -9.779565     -1.739929      2.742920
  C      -9.304943     -0.452186      2.979567
  C      -8.692142     -0.151083      4.201476
  C      -8.185024      1.235919      4.455801
  O      -8.878401      2.219180      4.177880
  N      -6.902332      1.306162      4.922334
  C      -6.529040      2.255496      5.727458
  C      -8.601541     -1.134985      5.189405
  H      -3.806625     -5.055083      7.360572
  H      -3.364567     -3.372853      7.724046
  H      -4.069421     -4.401082      8.998268
  H      -6.239405     -4.493859      7.753324
  H      -5.797330     -2.815014      8.101315
  H      -6.188431     -5.360600      5.439902
  H      -6.345342     -4.800426      3.023366
  H      -5.826335     -2.475842      2.245561
  H      -2.852785     -1.133520      5.339054
  H      -5.079166     -1.299092      6.309525
  H       0.124968      8.432612     -0.211813
  H      -1.289366      7.349107     -0.128852
  H      -1.525718      9.107365     -0.236657
  H      -0.217631      7.632153      2.140064
  H      -0.450787      9.385348      2.034849
  H      -2.736612     10.368550      2.183898
  H      -5.057442     10.103864      3.037731
  H      -5.920738      7.834688      3.635825
  H      -2.399873      6.077956      5.148822
  H      -2.103746      6.131879      2.583595
  H     -11.351815     -3.650453      6.168658
  H     -10.721894     -2.420705      7.284595
  H     -10.530340     -4.146600      7.669132
  H      -8.987250     -4.419415      5.711265
  H      -8.364613     -3.194012      6.824278
  H     -10.109638     -3.706531      3.562815
  H     -10.220410     -1.989740      1.774962
  H      -9.378799      0.323522      2.218251
  H      -7.275695      2.747001      6.379856
  H      -8.112064     -0.893172      6.136655
  N      -3.272487      2.436213      3.089816
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.570300442034
  N      -2.393685      0.937346      5.661003
  Mo     -3.510830      2.508938      4.723091
  N      -5.250265      2.662634      5.908794
  C      -4.990686      3.503528      7.094826
  C      -4.134881      2.830708      8.185954
  N      -2.739114      2.619650      7.837167
  C      -2.129252      1.321157      8.031833
  C      -1.455985      0.796721      6.742150
  C      -1.835563      3.751941      7.909216
  C      -1.151207      4.059930      6.551010
  N      -2.161593      3.987389      5.527640
  H      -0.532167      1.347706      6.523523
  H      -1.184375     -0.265493      6.874192
  H      -1.384770      1.335235      8.851309
  H      -2.914051      0.603987      8.308145
  H      -0.706317      5.069262      6.575040
  H      -0.347673      3.344623      6.338872
  H      -2.409130      4.642217      8.206403
  H      -1.056084      3.591687      8.678353
  H      -5.956762      3.776301      7.549361
  H      -4.521895      4.451874      6.796416
  H      -4.581312      1.854255      8.422343
  H      -4.228669      3.459946      9.093406
  C      -4.155941     -4.071831      7.996130
  C      -5.555560     -3.642413      7.542149
  C      -5.610394     -3.340316      6.068516
  C      -5.931293     -4.333764      5.140875
  C      -5.988010     -4.042160      3.780124
  C      -5.688545     -2.762545      3.320560
  C      -5.315644     -1.768353      4.225897
  C      -4.976359     -0.413178      3.671830
  O      -5.401917     -0.027022      2.596859
  N      -4.113300      0.362876      4.455388
  C      -3.093344     -0.074699      5.179766
  C      -5.308296     -2.060885      5.593461
  C      -0.929452      8.266035      0.194501
  C      -0.910929      8.375872      1.726440
  C      -2.289091      8.245293      2.324400
  C      -3.126190      9.360669      2.459143
  C      -4.428527      9.227359      2.948064
  C      -4.919154      7.974369      3.311643
  C      -4.088128      6.851504      3.210132
  C      -4.646489      5.501452      3.559521
  O      -5.734020      5.124736      3.134609
  N      -3.880965      4.699108      4.403561
  C      -2.754808      5.049884      5.029610
  C      -2.783299      6.994932      2.716538
  C     -10.549704     -3.454891      6.760326
  C      -9.195891     -3.424598      6.054739
  C      -9.151848     -2.398851      4.956611
  C      -9.686854     -2.684604      3.700045
  C      -9.745549     -1.702749      2.714400
  C      -9.294092     -0.410301      2.978682
  C      -8.711158     -0.120692      4.209948
  C      -8.217740      1.267811      4.492096
  O      -8.933034      2.256728      4.252641
  N      -6.912184      1.329064      4.927558
  C      -6.524873      2.258398      5.751806
  C      -8.631088     -1.119861      5.179868
  H      -3.831063     -4.972515      7.457712
  H      -3.420192     -3.278450      7.794574
  H      -4.139136     -4.291681      9.072039
  H      -6.277220     -4.437570      7.784085
  H      -5.863072     -2.749705      8.106676
  H      -6.170726     -5.339370      5.494976
  H      -6.276365     -4.817108      3.075167
  H      -5.758746     -2.503528      2.268455
  H      -2.835561     -1.135368      5.320473
  H      -5.104729     -1.266504      6.309127
  H       0.084222      8.365068     -0.218853
  H      -1.337245      7.295098     -0.122277
  H      -1.558330      9.052803     -0.245848
  H      -0.257452      7.592593      2.140749
  H      -0.476563      9.344913      2.019763
  H      -2.752263     10.346439      2.171063
  H      -5.066674     10.107331      3.043008
  H      -5.941499      7.851625      3.671919
  H      -2.396143      6.081453      5.162678
  H      -2.149082      6.111765      2.603842
  H     -11.351516     -3.693428      6.056145
  H     -10.772854     -2.475500      7.202477
  H     -10.565596     -4.208133      7.557129
  H      -8.981402     -4.421005      5.641617
  H      -8.408151     -3.205545      6.782034
  H     -10.064794     -3.689478      3.494100
  H     -10.158682     -1.944615      1.738924
  H      -9.358346      0.375326      2.230703
  H      -7.261924      2.748423      6.414595
  H      -8.166358     -0.887744      6.134603
  N      -3.344012      2.454507      3.059508
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.571706147506
  N      -2.364241      0.935202      5.663431
  Mo     -3.476240      2.506657      4.718492
  N      -5.261125      2.654009      5.845554
  C      -5.028597      3.489413      7.040444
  C      -4.192092      2.817626      8.149318
  N      -2.782251      2.616849      7.834259
  C      -2.166596      1.322960      8.046698
  C      -1.453446      0.800165      6.772857
  C      -1.888920      3.756431      7.930380
  C      -1.157810      4.063225      6.590928
  N      -2.135682      3.989911      5.532585
  H      -0.524881      1.355425      6.578721
  H      -1.177631     -0.259974      6.913151
  H      -1.441646      1.344695      8.888266
  H      -2.955434      0.600850      8.305151
  H      -0.713572      5.072636      6.629287
  H      -0.344126      3.348427      6.406744
  H      -2.482298      4.644372      8.204938
  H      -1.131576      3.605641      8.730052
  H      -6.007769      3.754626      7.474796
  H      -4.559544      4.442067      6.754810
  H      -4.636759      1.837041      8.372112
  H      -4.313177      3.443222      9.059791
  C      -4.101051     -4.119445      7.948264
  C      -5.502168     -3.649637      7.528314
  C      -5.584114     -3.341913      6.053914
  C      -5.960870     -4.326410      5.125111
  C      -6.038001     -4.033289      3.762339
  C      -5.704167     -2.761626      3.301544
  C      -5.281156     -1.775197      4.207608
  C      -4.915260     -0.428181      3.648599
  O      -5.318675     -0.046278      2.562973
  N      -4.073918      0.353628      4.449591
  C      -3.064247     -0.079070      5.183193
  C      -5.252153     -2.068408      5.577619
  C      -0.923590      8.285341      0.206377
  C      -0.900782      8.388356      1.737446
  C      -2.276676      8.254198      2.338375
  C      -3.114898      9.367921      2.479977
  C      -4.415942      9.231199      2.969229
  C      -4.903850      7.976491      3.326623
  C      -4.070791      6.855351      3.220740
  C      -4.625894      5.504296      3.568502
  O      -5.719049      5.131882      3.155956
  N      -3.855495      4.699511      4.404644
  C      -2.733904      5.052561      5.038796
  C      -2.767741      7.002167      2.725811
  C     -10.524189     -3.388244      6.877834
  C      -9.186032     -3.393094      6.113092
  C      -9.170938     -2.391426      4.981211
  C      -9.748932     -2.701290      3.739864
  C      -9.821415     -1.745118      2.724014
  C      -9.341179     -0.454322      2.941997
  C      -8.723434     -0.138519      4.158522
  C      -8.212829      1.252437      4.395896
  O      -8.912032      2.228231      4.126712
  N      -6.906571      1.326604      4.822682
  C      -6.535609      2.257131      5.651845
  C      -8.629753     -1.112246      5.159082
  H      -3.812232     -5.027343      7.397617
  H      -3.347250     -3.345447      7.733829
  H      -4.064692     -4.343151      9.024508
  H      -6.241682     -4.426820      7.782518
  H      -5.774239     -2.750133      8.105245
  H      -6.225823     -5.326327      5.480242
  H      -6.369339     -4.801495      3.056557
  H      -5.788798     -2.501644      2.246693
  H      -2.807952     -1.139544      5.332255
  H      -5.003411     -1.279889      6.295524
  H       0.088428      8.386356     -0.209589
  H      -1.331787      7.316715     -0.113444
  H      -1.553811      9.073371     -0.228151
  H      -0.245295      7.604628      2.146342
  H      -0.466902      9.355649      2.033828
  H      -2.743050     10.354680      2.196534
  H      -5.054877     10.109917      3.069089
  H      -5.925169      7.850980      3.687407
  H      -2.383936      6.085511      5.184409
  H      -2.132292      6.120708      2.608374
  H     -11.361997     -3.630339      6.203336
  H     -10.724688     -2.394853      7.311384
  H     -10.516293     -4.126447      7.698549
  H      -8.993430     -4.403345      5.712646
  H      -8.363405     -3.169009      6.812305
  H     -10.145638     -3.706279      3.569716
  H     -10.266417     -2.006455      1.760811
  H      -9.417236      0.311865      2.170093
  H      -7.289529      2.755222      6.292313
  H      -8.132235     -0.862731      6.101626
  N      -3.313714      2.454599      3.060022
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.572236658848
  N      -2.352227      0.936352      5.657966
  Mo     -3.467235      2.513276      4.722575
  N      -5.258748      2.647802      5.809760
  C      -5.052446      3.468775      7.022605
  C      -4.228053      2.789367      8.135871
  N      -2.812428      2.602364      7.834899
  C      -2.191532      1.311393      8.052200
  C      -1.459270      0.799290      6.784730
  C      -1.928240      3.747285      7.951103
  C      -1.169496      4.060166      6.628053
  N      -2.121517      3.994451      5.543059
  H      -0.529463      1.359478      6.607163
  H      -1.179997     -0.259791      6.922501
  H      -1.476262      1.335412      8.903650
  H      -2.980097      0.583632      8.299394
  H      -0.724714      5.068730      6.681717
  H      -0.351673      3.345513      6.459278
  H      -2.533500      4.630711      8.214355
  H      -1.185879      3.599915      8.766326
  H      -6.041818      3.718766      7.444105
  H      -4.587505      4.430114      6.756725
  H      -4.667335      1.802311      8.340367
  H      -4.366263      3.402824      9.053077
  C      -4.120396     -4.124192      7.948651
  C      -5.523064     -3.674713      7.514714
  C      -5.594339     -3.359020      6.040069
  C      -5.953607     -4.341161      5.105464
  C      -6.015351     -4.044076      3.741346
  C      -5.680095     -2.771172      3.285982
  C      -5.273419     -1.785922      4.198051
  C      -4.896879     -0.440794      3.638212
  O      -5.277653     -0.070630      2.539250
  N      -4.070962      0.353271      4.448491
  C      -3.057070     -0.076783      5.181355
  C      -5.264988     -2.082964      5.568950
  C      -0.978500      8.273215      0.146273
  C      -0.900383      8.382275      1.678387
  C      -2.259605      8.264353      2.328184
  C      -3.080488      9.388101      2.492889
  C      -4.370690      9.266240      3.020448
  C      -4.865303      8.016724      3.390422
  C      -4.048386      6.885715      3.263464
  C      -4.616717      5.542033      3.617345
  O      -5.722963      5.192453      3.225144
  N      -3.844589      4.718712      4.431116
  C      -2.723316      5.062578      5.065168
  C      -2.755390      7.017770      2.734232
  C     -10.489425     -3.329770      6.912737
  C      -9.156347     -3.359534      6.145461
  C      -9.142627     -2.387927      4.993469
  C      -9.743011     -2.715676      3.764274
  C      -9.832274     -1.775602      2.732935
  C      -9.346675     -0.483375      2.922372
  C      -8.703616     -0.152335      4.126805
  C      -8.203484      1.245278      4.342043
  O      -8.956144      2.223516      4.129809
  N      -6.884061      1.334852      4.738887
  C      -6.530352      2.251085      5.589394
  C      -8.590401     -1.111289      5.142717
  H      -3.811217     -5.023769      7.396558
  H      -3.378512     -3.338331      7.746661
  H      -4.091887     -4.354805      9.024161
  H      -6.248094     -4.465911      7.757413
  H      -5.817303     -2.783635      8.092999
  H      -6.216146     -5.342713      5.456518
  H      -6.331474     -4.811175      3.030777
  H      -5.747095     -2.509032      2.228890
  H      -2.798499     -1.136547      5.334672
  H      -5.028942     -1.296587      6.290464
  H       0.021546      8.362194     -0.306723
  H      -1.409863      7.306869     -0.153875
  H      -1.615444      9.066501     -0.271757
  H      -0.239406      7.592685      2.069924
  H      -0.444804      9.347008      1.954962
  H      -2.704337     10.371007      2.195706
  H      -4.996850     10.152515      3.137183
  H      -5.880000      7.902470      3.777042
  H      -2.375915      6.093655      5.228777
  H      -2.134861      6.128501      2.596984
  H     -11.333181     -3.587835      6.249405
  H     -10.680157     -2.327858      7.319990
  H     -10.482204     -4.042724      7.749688
  H      -8.973333     -4.377131      5.768805
  H      -8.328191     -3.118580      6.833401
  H     -10.150349     -3.718721      3.617013
  H     -10.299389     -2.049075      1.780003
  H      -9.442266      0.273281      2.138581
  H      -7.291643      2.738703      6.225230
  H      -8.078580     -0.847256      6.076186
  N      -3.274745      2.470938      3.098012
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.573667910532
  N      -2.327857      0.931180      5.608152
  Mo     -3.479364      2.512129      4.722018
  N      -5.240053      2.631136      5.828325
  C      -5.023644      3.435792      7.051788
  C      -4.174545      2.745812      8.133785
  N      -2.770573      2.574709      7.798133
  C      -2.135125      1.287826      7.998022
  C      -1.423951      0.789414      6.720596
  C      -1.895161      3.726020      7.909689
  C      -1.152181      4.049576      6.588540
  N      -2.105569      3.991569      5.508970
  H      -0.502076      1.354410      6.535059
  H      -1.140111     -0.270384      6.844362
  H      -1.406604      1.315438      8.831434
  H      -2.908833      0.552452      8.256998
  H      -0.709172      5.058531      6.647864
  H      -0.337195      3.338772      6.408869
  H      -2.501020      4.603062      8.181540
  H      -1.147006      3.581433      8.712423
  H      -6.005788      3.669987      7.492900
  H      -4.571971      4.405140      6.792960
  H      -4.599644      1.751444      8.331382
  H      -4.295885      3.342864      9.060092
  C      -4.183970     -4.030738      8.036898
  C      -5.582582     -3.631846      7.552065
  C      -5.615229     -3.345711      6.072016
  C      -5.927311     -4.346554      5.150348
  C      -5.955712     -4.071873      3.782121
  C      -5.634902     -2.802397      3.310988
  C      -5.274167     -1.798860      4.211564
  C      -4.904289     -0.459075      3.638264
  O      -5.271643     -0.107681      2.528751
  N      -4.085432      0.347031      4.447008
  C      -3.048774     -0.080436      5.154111
  C      -5.295958     -2.075210      5.584957
  C      -1.027566      8.236746      0.157080
  C      -0.937564      8.360713      1.687775
  C      -2.291932      8.259091      2.348153
  C      -3.101380      9.391454      2.510875
  C      -4.387135      9.284077      3.051671
  C      -4.888762      8.040810      3.436644
  C      -4.083465      6.901360      3.309432
  C      -4.659976      5.564755      3.680653
  O      -5.784198      5.230609      3.322656
  N      -3.866840      4.725514      4.460254
  C      -2.729336      5.063664      5.069567
  C      -2.794824      7.018855      2.767819
  C     -10.527943     -3.318326      6.864397
  C      -9.183679     -3.348824      6.120936
  C      -9.148688     -2.374357      4.967179
  C      -9.720134     -2.704546      3.726813
  C      -9.783113     -1.764393      2.690035
  C      -9.294522     -0.471040      2.883916
  C      -8.680794     -0.137719      4.100902
  C      -8.175770      1.259944      4.322088
  O      -8.880385      2.236595      4.065553
  N      -6.867915      1.339249      4.738406
  C      -6.513496      2.242003      5.605117
  C      -8.598338     -1.095520      5.123504
  H      -3.833463     -4.931043      7.514059
  H      -3.459502     -3.227888      7.839259
  H      -4.181484     -4.239967      9.116539
  H      -6.291899     -4.437245      7.789798
  H      -5.918606     -2.739399      8.101110
  H      -6.180658     -5.344875      5.513884
  H      -6.233904     -4.853881      3.081125
  H      -5.669375     -2.558581      2.250275
  H      -2.782083     -1.139015      5.300950
  H      -5.096353     -1.276206      6.294916
  H      -0.030546      8.312771     -0.303530
  H      -1.469633      7.270190     -0.130754
  H      -1.660518      9.032076     -0.265038
  H      -0.280290      7.568941      2.082612
  H      -0.472516      9.325476      1.952124
  H      -2.719252     10.369897      2.202999
  H      -5.004239     10.177067      3.167605
  H      -5.900378      7.937832      3.833984
  H      -2.383575      6.093885      5.244082
  H      -2.182716      6.122798      2.633415
  H     -11.354658     -3.573376      6.185131
  H     -10.728844     -2.312961      7.271476
  H     -10.535919     -4.036970      7.700484
  H      -8.991208     -4.370248      5.747311
  H      -8.371900     -3.108392      6.823497
  H     -10.125288     -3.710122      3.574440
  H     -10.227275     -2.040418      1.728442
  H      -9.366590      0.283951      2.094378
  H      -7.272201      2.727115      6.244542
  H      -8.107865     -0.830501      6.066754
  N      -3.327620      2.487431      3.079359
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.574287510740
  N      -2.292736      0.935247      5.576727
  Mo     -3.472138      2.508798      4.706497
  N      -5.259848      2.617305      5.828719
  C      -5.044570      3.414982      7.050538
  C      -4.178745      2.727143      8.119027
  N      -2.774647      2.572060      7.766184
  C      -2.121942      1.293367      7.969695
  C      -1.395714      0.801191      6.696037
  C      -1.914066      3.734490      7.881331
  C      -1.157225      4.061111      6.569382
  N      -2.094045      3.997764      5.475714
  H      -0.475986      1.372713      6.518808
  H      -1.103820     -0.257317      6.820446
  H      -1.395432      1.333456      8.806639
  H      -2.888062      0.549360      8.228900
  H      -0.722412      5.072981      6.636689
  H      -0.332774      3.358462      6.400310
  H      -2.535148      4.604998      8.142499
  H      -1.172142      3.604144      8.695052
  H      -6.025509      3.638849      7.500869
  H      -4.602439      4.388651      6.790242
  H      -4.590870      1.727257      8.314310
  H      -4.295459      3.316108      9.052251
  C      -4.132957     -4.025698      8.018247
  C      -5.531171     -3.580764      7.565079
  C      -5.590368     -3.314070      6.083059
  C      -5.972997     -4.314697      5.174250
  C      -6.021445     -4.056636      3.802299
  C      -5.659121     -2.803505      3.314221
  C      -5.244487     -1.798057      4.203795
  C      -4.861244     -0.469113      3.622111
  O      -5.223410     -0.116442      2.512373
  N      -4.056796      0.340774      4.438252
  C      -3.017905     -0.080437      5.135744
  C      -5.232800     -2.059043      5.580178
  C      -0.969697      8.202529      0.253502
  C      -0.939383      8.335474      1.778183
  C      -2.309861      8.234959      2.383933
  C      -3.128513      9.365324      2.512652
  C      -4.425046      9.257882      3.010530
  C      -4.928069      8.016591      3.389000
  C      -4.114066      6.879448      3.294311
  C      -4.684233      5.544288      3.672743
  O      -5.805782      5.200043      3.325450
  N      -3.877240      4.713174      4.444665
  C      -2.741403      5.062861      5.054030
  C      -2.815580      6.996779      2.790956
  C     -10.511064     -3.295416      6.874937
  C      -9.183488     -3.320264      6.112997
  C      -9.168065     -2.353400      4.962072
  C      -9.752559     -2.692663      3.738134
  C      -9.820950     -1.766681      2.703842
  C      -9.321830     -0.478843      2.882854
  C      -8.698642     -0.134585      4.083876
  C      -8.189032      1.260050      4.296806
  O      -8.911022      2.229723      4.060308
  N      -6.876896      1.344685      4.707040
  C      -6.527048      2.230668      5.591555
  C      -8.614801     -1.077028      5.104848
  H      -3.828250     -4.946014      7.497613
  H      -3.382369     -3.250410      7.791937
  H      -4.109065     -4.219343      9.100161
  H      -6.271015     -4.355408      7.828540
  H      -5.819405     -2.667918      8.112211
  H      -6.261934     -5.300162      5.550678
  H      -6.352839     -4.839138      3.110418
  H      -5.704226     -2.574660      2.248725
  H      -2.747651     -1.136998      5.289459
  H      -4.981237     -1.258454      6.282808
  H       0.039160      8.275934     -0.166677
  H      -1.396045      7.235613     -0.046962
  H      -1.586772      8.994481     -0.192874
  H      -0.294894      7.548455      2.197897
  H      -0.490703      9.301097      2.055339
  H      -2.743983     10.341810      2.214340
  H      -5.047637     10.149556      3.101428
  H      -5.946184      7.913436      3.757861
  H      -2.412160      6.097199      5.236951
  H      -2.193863      6.102804      2.686344
  H     -11.349210     -3.553588      6.212680
  H     -10.705104     -2.296053      7.283668
  H     -10.502906     -4.009580      7.707143
  H      -8.996607     -4.337141      5.739435
  H      -8.358220     -3.077905      6.798622
  H     -10.159725     -3.695927      3.595890
  H     -10.270116     -2.051234      1.754527
  H      -9.391892      0.261088      2.093501
  H      -7.291832      2.701453      6.236223
  H      -8.118898     -0.804221      6.035481
  N      -3.341128      2.494211      3.040576
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.575619940319
  N      -2.261672      0.920506      5.604060
  Mo     -3.439929      2.504562      4.744958
  N      -5.246045      2.614995      5.842266
  C      -5.045711      3.402042      7.072067
  C      -4.190797      2.702652      8.142295
  N      -2.783323      2.548069      7.792429
  C      -2.133071      1.268661      8.006554
  C      -1.385532      0.780072      6.742036
  C      -1.923038      3.710030      7.925776
  C      -1.131880      4.033373      6.630377
  N      -2.042791      3.981803      5.510877
  H      -0.459312      1.349072      6.583264
  H      -1.098794     -0.279346      6.868402
  H      -1.418239      1.307750      8.857161
  H      -2.905093      0.524349      8.254058
  H      -0.690377      5.042249      6.711220
  H      -0.306821      3.324829      6.480293
  H      -2.551847      4.581611      8.168811
  H      -1.200237      3.581066      8.760880
  H      -6.032909      3.621893      7.513879
  H      -4.600263      4.378233      6.823362
  H      -4.606202      1.701650      8.325087
  H      -4.312542      3.281439      9.082160
  C      -4.188347     -4.016265      8.051489
  C      -5.581759     -3.591530      7.568276
  C      -5.611923     -3.321439      6.086025
  C      -5.969854     -4.321013      5.170761
  C      -5.986262     -4.061750      3.799640
  C      -5.616839     -2.807964      3.319354
  C      -5.226261     -1.802691      4.215672
  C      -4.827663     -0.475109      3.640961
  O      -5.155501     -0.126466      2.518987
  N      -4.036216      0.335787      4.472978
  C      -2.999010     -0.090055      5.168565
  C      -5.246991     -2.065023      5.590639
  C      -1.138165      8.206387      0.085482
  C      -0.988141      8.331440      1.610106
  C      -2.319129      8.236676      2.323781
  C      -3.119324      9.371443      2.516212
  C      -4.387533      9.269631      3.104215
  C      -4.880420      8.029367      3.507132
  C      -4.081960      6.887508      3.353088
  C      -4.650272      5.555205      3.749012
  O      -5.798061      5.231478      3.455554
  N      -3.831777      4.713283      4.498066
  C      -2.693742      5.052726      5.107170
  C      -2.811593      6.999754      2.762830
  C     -10.506324     -3.274214      6.837721
  C      -9.172340     -3.300626      6.083714
  C      -9.148031     -2.332935      4.927362
  C      -9.722734     -2.672742      3.697666
  C      -9.783568     -1.743863      2.658050
  C      -9.287071     -0.452330      2.837325
  C      -8.673633     -0.108148      4.044414
  C      -8.170409      1.290677      4.262589
  O      -8.889611      2.262861      4.024740
  N      -6.858171      1.373507      4.673280
  C      -6.514999      2.245015      5.575063
  C      -8.596054     -1.054338      5.070748
  H      -3.858556     -4.930224      7.536322
  H      -3.446148     -3.229985      7.842591
  H      -4.184666     -4.212399      9.132897
  H      -6.313811     -4.377107      7.814534
  H      -5.895794     -2.684653      8.109927
  H      -6.263319     -5.307077      5.541249
  H      -6.295650     -4.843952      3.102917
  H      -5.633567     -2.579157      2.254929
  H      -2.735921     -1.148461      5.328345
  H      -5.011857     -1.265662      6.297532
  H      -0.158136      8.275131     -0.415187
  H      -1.597658      7.244317     -0.182033
  H      -1.782096      9.003806     -0.313547
  H      -0.318622      7.538905      1.981092
  H      -0.508359      9.292509      1.854085
  H      -2.744580     10.347028      2.193910
  H      -4.996785     10.164817      3.242590
  H      -5.878679      7.930252      3.942399
  H      -2.366453      6.083921      5.309177
  H      -2.207387      6.102741      2.604852
  H     -11.337342     -3.534122      6.169780
  H     -10.707412     -2.270919      7.242725
  H     -10.503226     -3.989328      7.674153
  H      -8.978405     -4.321356      5.714977
  H      -8.355528     -3.055958      6.775434
  H     -10.129567     -3.677849      3.555195
  H     -10.226942     -2.028382      1.704555
  H      -9.353765      0.290692      2.043647
  H      -7.288197      2.714114      6.212731
  H      -8.107677     -0.781656      6.006889
  N      -3.299192      2.488225      3.090043
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.576104108375
  N      -2.270567      0.935359      5.545813
  Mo     -3.475211      2.518516      4.718670
  N      -5.258488      2.615181      5.806956
  C      -5.072394      3.395759      7.043297
  C      -4.210654      2.692861      8.104022
  N      -2.808742      2.549143      7.733668
  C      -2.148161      1.274412      7.950121
  C      -1.397951      0.796603      6.686776
  C      -1.955864      3.715726      7.876968
  C      -1.158579      4.040078      6.591042
  N      -2.059376      3.993510      5.463447
  H      -0.476418      1.371583      6.531797
  H      -1.105366     -0.260855      6.810855
  H      -1.436049      1.318459      8.799983
  H      -2.912484      0.523592      8.195854
  H      -0.718787      5.048942      6.680237
  H      -0.333949      3.331845      6.444185
  H      -2.589992      4.584379      8.111214
  H      -1.242432      3.591343      8.717332
  H      -6.061609      3.599082      7.487532
  H      -4.639601      4.379885      6.803644
  H      -4.618734      1.687284      8.277564
  H      -4.328469      3.259865      9.050379
  C      -4.182381     -3.999366      8.038288
  C      -5.584299     -3.626231      7.539971
  C      -5.608622     -3.346687      6.056530
  C      -5.924454     -4.347934      5.135805
  C      -5.936371     -4.081742      3.762718
  C      -5.601193     -2.818876      3.287175
  C      -5.244284     -1.811903      4.189446
  C      -4.860150     -0.478913      3.617405
  O      -5.184325     -0.139552      2.491098
  N      -4.072749      0.343549      4.450260
  C      -3.015866     -0.076967      5.126518
  C      -5.275785     -2.081084      5.565791
  C      -1.049387      8.156989      0.197289
  C      -0.955130      8.307712      1.721583
  C      -2.305422      8.234649      2.381993
  C      -3.099928      9.379653      2.529569
  C      -4.382677      9.297052      3.071942
  C      -4.895691      8.066267      3.474950
  C      -4.104654      6.914641      3.363733
  C      -4.689991      5.593134      3.766868
  O      -5.837295      5.283189      3.477021
  N      -3.868743      4.733306      4.491109
  C      -2.726290      5.066852      5.089974
  C      -2.819045      7.007235      2.818535
  C     -10.473369     -3.205245      6.943436
  C      -9.144467     -3.268231      6.168865
  C      -9.127892     -2.334076      4.981347
  C      -9.727308     -2.698710      3.762645
  C      -9.800247     -1.793325      2.695157
  C      -9.298095     -0.498759      2.835410
  C      -8.662139     -0.130569      4.031819
  C      -8.167146      1.275805      4.217930
  O      -8.902826      2.240058      3.978226
  N      -6.852066      1.377195      4.619732
  C      -6.522665      2.242471      5.528388
  C      -8.565380     -1.056133      5.085516
  H      -3.811902     -4.895813      7.522032
  H      -3.471082     -3.185602      7.842295
  H      -4.183725     -4.203192      9.119752
  H      -6.283083     -4.440747      7.774188
  H      -5.940877     -2.736767      8.082322
  H      -6.190384     -5.340897      5.502453
  H      -6.211909     -4.865255      3.062021
  H      -5.614643     -2.584031      2.220507
  H      -2.746878     -1.133768      5.288457
  H      -5.071013     -1.281278      6.275409
  H      -0.055192      8.207825     -0.265097
  H      -1.505561      7.192970     -0.073118
  H      -1.670318      8.954857     -0.235883
  H      -0.307127      7.514688      2.126644
  H      -0.479637      9.270687      1.968606
  H      -2.708385     10.348379      2.209232
  H      -4.986777     10.200027      3.176650
  H      -5.904370      7.981690      3.876464
  H      -2.402660      6.096775      5.306775
  H      -2.217461      6.101926      2.698351
  H     -11.321660     -3.478671      6.292887
  H     -10.659777     -2.188143      7.320691
  H     -10.464278     -3.893305      7.804543
  H      -8.964534     -4.300936      5.826606
  H      -8.312487     -3.009128      6.844678
  H     -10.145854     -3.703074      3.651478
  H     -10.266647     -2.095763      1.750641
  H      -9.382063      0.229991      2.020594
  H      -7.299160      2.698020      6.169424
  H      -8.058929     -0.763728      6.013941
  N      -3.334827      2.508275      3.080708
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.577243007814
  N      -2.208625      0.923079      5.539490
  Mo     -3.440104      2.504631      4.743202
  N      -5.230715      2.586446      5.828428
  C      -5.052650      3.354342      7.071901
  C      -4.178821      2.648004      8.117807
  N      -2.780131      2.520345      7.727494
  C      -2.105956      1.252184      7.946386
  C      -1.343531      0.784803      6.686207
  C      -1.938391      3.694774      7.883847
  C      -1.126056      4.025589      6.610031
  N      -2.010792      3.981323      5.468835
  H      -0.424239      1.365409      6.540822
  H      -1.046159     -0.272020      6.807649
  H      -1.399249      1.303438      8.800415
  H      -2.864026      0.493334      8.187066
  H      -0.691326      5.035422      6.711068
  H      -0.296948      3.322295      6.470493
  H      -2.584120      4.557018      8.108079
  H      -1.236150      3.578494      8.735017
  H      -6.042150      3.541620      7.521219
  H      -4.630854      4.345931      6.842310
  H      -4.577049      1.637007      8.281970
  H      -4.291190      3.201879      9.072464
  C      -4.197592     -3.959035      8.102217
  C      -5.592545     -3.569604      7.594038
  C      -5.607186     -3.317488      6.107073
  C      -5.952187     -4.327711      5.200792
  C      -5.953789     -4.086135      3.824335
  C      -5.583850     -2.838591      3.330992
  C      -5.205862     -1.821820      4.219638
  C      -4.803202     -0.500785      3.634814
  O      -5.120426     -0.165877      2.505580
  N      -4.027359      0.326631      4.473603
  C      -2.960911     -0.090258      5.133985
  C      -5.240976     -2.067199      5.598657
  C      -1.177607      8.134087      0.129460
  C      -1.024768      8.297209      1.649894
  C      -2.352863      8.223638      2.363348
  C      -3.145999      9.367126      2.532615
  C      -4.411854      9.283400      3.121888
  C      -4.909363      8.052726      3.549178
  C      -4.118536      6.902610      3.416621
  C      -4.691450      5.581490      3.841217
  O      -5.853106      5.274700      3.597155
  N      -3.845630      4.717836      4.535436
  C      -2.697811      5.052617      5.123442
  C      -2.849690      6.996589      2.825805
  C     -10.511417     -3.162983      6.848940
  C      -9.182999     -3.244334      6.087567
  C      -9.142731     -2.305032      4.909046
  C      -9.738057     -2.655911      3.686186
  C      -9.787298     -1.746915      2.625728
  C      -9.264635     -0.461996      2.777231
  C      -8.634449     -0.106754      3.978425
  C      -8.128905      1.294351      4.180701
  O      -8.856072      2.266033      3.951206
  N      -6.817925      1.383971      4.591104
  C      -6.493075      2.224316      5.527239
  C      -8.562574     -1.035878      5.025286
  H      -3.842143     -4.871938      7.602979
  H      -3.469764     -3.160522      7.893430
  H      -4.205152     -4.141947      9.186516
  H      -6.310317     -4.367169      7.839437
  H      -5.933567     -2.663357      8.119827
  H      -6.247724     -5.308506      5.581370
  H      -6.251818     -4.876948      3.134028
  H      -5.587699     -2.623983      2.261346
  H      -2.687700     -1.145669      5.297398
  H      -5.015214     -1.259203      6.296576
  H      -0.199545      8.184977     -0.372214
  H      -1.641833      7.166122     -0.114133
  H      -1.818028      8.926167     -0.288275
  H      -0.358084      7.509769      2.038586
  H      -0.542096      9.263956      1.869960
  H      -2.767503     10.335519      2.191548
  H      -5.015087     10.185212      3.242651
  H      -5.905808      7.966656      3.985870
  H      -2.384987      6.082303      5.357069
  H      -2.250736      6.092370      2.686559
  H     -11.355767     -3.418519      6.190459
  H     -10.683467     -2.144803      7.232683
  H     -10.519808     -3.856072      7.702236
  H      -9.017684     -4.278197      5.739325
  H      -8.353695     -3.003095      6.770874
  H     -10.171529     -3.652744      3.566163
  H     -10.249342     -2.038944      1.677820
  H      -9.328928      0.268497      1.967726
  H      -7.276128      2.669159      6.167863
  H      -8.062274     -0.753374      5.957922
  N      -3.324050      2.507929      3.093405
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.577658809855
  N      -2.200771      0.921142      5.529823
  Mo     -3.439389      2.508650      4.743673
  N      -5.257420      2.601700      5.830924
  C      -5.083820      3.368510      7.071749
  C      -4.206442      2.656812      8.113117
  N      -2.809434      2.521528      7.700901
  C      -2.137971      1.252848      7.939088
  C      -1.353519      0.781786      6.691721
  C      -1.961910      3.693004      7.870028
  C      -1.119285      4.012178      6.610551
  N      -1.986219      3.974161      5.452545
  H      -0.427814      1.357146      6.560758
  H      -1.062583     -0.276141      6.821699
  H      -1.444695      1.306198      8.807269
  H      -2.902760      0.495942      8.170456
  H      -0.678528      5.019453      6.718274
  H      -0.290818      3.303603      6.487340
  H      -2.610342      4.559994      8.071145
  H      -1.280826      3.578868      8.741799
  H      -6.074396      3.554431      7.522351
  H      -4.661691      4.360779      6.843277
  H      -4.609625      1.647866      8.277397
  H      -4.304270      3.205314      9.072795
  C      -4.221472     -3.947972      8.083187
  C      -5.614930     -3.572464      7.561629
  C      -5.616625     -3.315938      6.076112
  C      -5.951844     -4.323482      5.163962
  C      -5.935197     -4.078815      3.789281
  C      -5.559932     -2.829710      3.303877
  C      -5.198585     -1.814258      4.198976
  C      -4.795379     -0.490107      3.627033
  O      -5.081965     -0.153037      2.491905
  N      -4.028424      0.333505      4.479704
  C      -2.964982     -0.088386      5.133858
  C      -5.246424     -2.063218      5.575605
  C      -1.187572      8.120149      0.122643
  C      -1.022577      8.267568      1.640478
  C      -2.344597      8.203465      2.364579
  C      -3.126834      9.351414      2.549183
  C      -4.388519      9.276481      3.147521
  C      -4.892015      8.050126      3.570455
  C      -4.110524      6.895575      3.425362
  C      -4.684783      5.580275      3.857790
  O      -5.854325      5.282693      3.646885
  N      -3.830173      4.714090      4.535459
  C      -2.682205      5.045612      5.123705
  C      -2.846874      6.980866      2.822594
  C     -10.468256     -3.174629      6.888765
  C      -9.139279     -3.219557      6.121987
  C      -9.122258     -2.287399      4.934729
  C      -9.704010     -2.663307      3.721338
  C      -9.767074     -1.767049      2.652478
  C      -9.266910     -0.471684      2.785760
  C      -8.648780     -0.091988      3.977157
  C      -8.156788      1.314602      4.166223
  O      -8.891223      2.270228      3.920467
  N      -6.842201      1.419361      4.574105
  C      -6.518338      2.252316      5.513781
  C      -8.569309     -1.005906      5.032779
  H      -3.850381     -4.855882      7.586189
  H      -3.500472     -3.140800      7.883201
  H      -4.237823     -4.132641      9.166617
  H      -6.328118     -4.377403      7.796820
  H      -5.970714     -2.671145      8.086285
  H      -6.251119     -5.305629      5.538576
  H      -6.222748     -4.868468      3.093998
  H      -5.547044     -2.613420      2.236601
  H      -2.701646     -1.145407      5.308334
  H      -5.026990     -1.256598      6.277869
  H      -0.213701      8.162791     -0.386780
  H      -1.663337      7.162815     -0.126188
  H      -1.820941      8.921659     -0.280595
  H      -0.361471      7.472078      2.014568
  H      -0.529155      9.224553      1.864663
  H      -2.743537     10.316326      2.212588
  H      -4.982711     10.182181      3.280070
  H      -5.884299      7.970554      4.017465
  H      -2.375222      6.073901      5.371339
  H      -2.256080      6.073925      2.672949
  H     -11.306572     -3.457161      6.240148
  H     -10.667646     -2.161286      7.260870
  H     -10.455129     -3.863057      7.749033
  H      -8.946450     -4.249597      5.786355
  H      -8.316817     -2.953993      6.797558
  H     -10.114818     -3.670631      3.614973
  H     -10.215651     -2.079295      1.712159
  H      -9.335620      0.245434      1.968708
  H      -7.305924      2.689533      6.157535
  H      -8.079040     -0.704983      5.957359
  N      -3.324521      2.500475      3.090343
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.578411590326
  N      -2.156174      0.917189      5.505123
  Mo     -3.426688      2.501085      4.756740
  N      -5.233460      2.579902      5.842567
  C      -5.069576      3.338028      7.089965
  C      -4.176272      2.625516      8.114854
  N      -2.787714      2.503414      7.670213
  C      -2.103022      1.241086      7.913540
  C      -1.311472      0.780043      6.668944
  C      -1.947475      3.680551      7.852410
  C      -1.096522      4.002761      6.602833
  N      -1.955576      3.966954      5.438283
  H      -0.389930      1.361214      6.542828
  H      -1.015270     -0.276438      6.797634
  H      -1.416296      1.301493      8.784243
  H      -2.860332      0.476468      8.139931
  H      -0.659922      5.010656      6.718659
  H      -0.266546      3.297402      6.481707
  H      -2.602598      4.543710      8.043184
  H      -1.278727      3.571374      8.731941
  H      -6.059698      3.504655      7.547049
  H      -4.662495      4.338744      6.871359
  H      -4.570764      1.612232      8.273093
  H      -4.260360      3.162638      9.081348
  C      -4.222239     -3.917280      8.135492
  C      -5.613652     -3.547754      7.602361
  C      -5.608091     -3.306644      6.113862
  C      -5.949026     -4.321468      5.210080
  C      -5.929138     -4.091392      3.831991
  C      -5.546123     -2.849128      3.335137
  C      -5.178824     -1.826395      4.222339
  C      -4.771036     -0.507398      3.641522
  O      -5.060864     -0.174964      2.505985
  N      -4.007223      0.322632      4.494531
  C      -2.926869     -0.094426      5.126633
  C      -5.228680     -2.061124      5.602073
  C      -1.257468      8.075618      0.118289
  C      -1.074105      8.254445      1.632326
  C      -2.387447      8.194217      2.372440
  C      -3.172910      9.341884      2.547233
  C      -4.427242      9.269688      3.161881
  C      -4.920347      8.046207      3.610320
  C      -4.136158      6.892133      3.472927
  C      -4.702212      5.579904      3.926939
  O      -5.880126      5.286744      3.755305
  N      -3.825874      4.705475      4.569338
  C      -2.670700      5.036383      5.140788
  C      -2.879225      6.974629      2.855065
  C     -10.505000     -3.103018      6.833067
  C      -9.176203     -3.192696      6.074356
  C      -9.129693     -2.265955      4.886133
  C      -9.718236     -2.630927      3.668538
  C      -9.759348     -1.735643      2.598009
  C      -9.234880     -0.450161      2.734474
  C      -8.612605     -0.080617      3.930617
  C      -8.114033      1.323382      4.128008
  O      -8.845941      2.286168      3.888108
  N      -6.805672      1.422610      4.547877
  C      -6.491259      2.235427      5.509020
  C      -8.550120     -0.995877      4.987369
  H      -3.848265     -4.830659      7.650223
  H      -3.500107     -3.111943      7.931021
  H      -4.244957     -4.089691      9.221030
  H      -6.327871     -4.351182      7.841254
  H      -5.972665     -2.641211      8.116374
  H      -6.255921     -5.297914      5.593472
  H      -6.220977     -4.886663      3.143106
  H      -5.532555     -2.643942      2.264588
  H      -2.657598     -1.149670      5.302303
  H      -5.004533     -1.247784      6.295995
  H      -0.289680      8.116052     -0.403047
  H      -1.729280      7.107957     -0.105800
  H      -1.902448      8.865491     -0.294162
  H      -0.402596      7.469473      2.014879
  H      -0.584028      9.220699      1.831223
  H      -2.798041     10.304662      2.190196
  H      -5.024036     10.175028      3.286693
  H      -5.907389      7.967894      4.069002
  H      -2.371226      6.063291      5.404373
  H      -2.286892      6.067175      2.711462
  H     -11.348593     -3.364424      6.179407
  H     -10.675461     -2.081256      7.202889
  H     -10.515105     -3.786738      7.694203
  H      -9.012353     -4.229810      5.739733
  H      -8.348822     -2.947719      6.755450
  H     -10.152456     -3.628458      3.560777
  H     -10.214775     -2.038820      1.654427
  H      -9.291449      0.268787      1.917074
  H      -7.284544      2.658738      6.153987
  H      -8.057433     -0.702079      5.916473
  N      -3.333900      2.503375      3.102156
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.578813515144
  N      -2.120481      0.911423      5.476534
  Mo     -3.418000      2.494614      4.763278
  N      -5.219911      2.567691      5.843241
  C      -5.065701      3.319691      7.096108
  C      -4.159124      2.606424      8.107929
  N      -2.779252      2.489404      7.629250
  C      -2.087531      1.230334      7.883937
  C      -1.282998      0.775311      6.646608
  C      -1.939687      3.668074      7.827666
  C      -1.073734      3.988160      6.589948
  N      -1.924655      3.956378      5.417380
  H      -0.362131      1.358400      6.528622
  H      -0.985988     -0.280615      6.777364
  H      -1.414094      1.295159      8.763430
  H      -2.842866      0.460899      8.099321
  H      -0.637659      4.995363      6.712508
  H      -0.243786      3.283060      6.473471
  H      -2.598079      4.531631      8.002792
  H      -1.289783      3.560076      8.719809
  H      -6.056295      3.469328      7.556889
  H      -4.671049      4.327339      6.886541
  H      -4.549921      1.591448      8.264494
  H      -4.224070      3.136157      9.079244
  C      -4.244365     -3.873236      8.179191
  C      -5.632371     -3.524366      7.624348
  C      -5.610969     -3.296890      6.133905
  C      -5.943191     -4.319914      5.236746
  C      -5.911609     -4.102573      3.856835
  C      -5.525925     -2.864351      3.351835
  C      -5.165932     -1.834007      4.232691
  C      -4.753922     -0.518365      3.646427
  O      -5.041640     -0.188992      2.509767
  N      -3.992470      0.314850      4.502125
  C      -2.899197     -0.100373      5.114297
  C      -5.227104     -2.056115      5.613961
  C      -1.312147      8.043742      0.120622
  C      -1.113647      8.235857      1.631183
  C      -2.418809      8.181179      2.385254
  C      -3.202377      9.330051      2.560217
  C      -4.449610      9.262611      3.189285
  C      -4.936982      8.042787      3.653417
  C      -4.154276      6.887632      3.516484
  C      -4.713590      5.580098      3.991096
  O      -5.898181      5.294026      3.861680
  N      -3.817387      4.696329      4.594573
  C      -2.655609      5.024504      5.150344
  C      -2.905054      6.965270      2.882185
  C     -10.514375     -3.051524      6.808823
  C      -9.184336     -3.165938      6.053541
  C      -9.123712     -2.247647      4.859149
  C      -9.714202     -2.613599      3.640882
  C      -9.745502     -1.723813      2.564410
  C      -9.211329     -0.441929      2.696248
  C      -8.587668     -0.071417      3.893273
  C      -8.086878      1.331960      4.089452
  O      -8.818304      2.295057      3.844445
  N      -6.782847      1.432943      4.518768
  C      -6.475930      2.230347      5.494711
  C      -8.532806     -0.982303      4.955441
  H      -3.854508     -4.787812      7.709311
  H      -3.528141     -3.062598      7.975304
  H      -4.280088     -4.033701      9.266192
  H      -6.340025     -4.333816      7.861760
  H      -6.007526     -2.617379      8.125332
  H      -6.253028     -5.292962      5.626483
  H      -6.196452     -4.904318      3.173047
  H      -5.504702     -2.668557      2.279973
  H      -2.628561     -1.154938      5.292651
  H      -5.007819     -1.235622      6.300177
  H      -0.349729      8.080941     -0.410387
  H      -1.784052      7.073322     -0.090759
  H      -1.962387      8.829244     -0.291584
  H      -0.437540      7.454655      2.012991
  H      -0.622637      9.204335      1.816077
  H      -2.831890     10.290157      2.191607
  H      -5.045139     10.168862      3.313761
  H      -5.918117      7.967527      4.124780
  H      -2.361778      6.048776      5.431029
  H      -2.314981      6.056589      2.737470
  H     -11.360971     -3.307020      6.154957
  H     -10.671179     -2.024086      7.169785
  H     -10.535460     -3.727522      7.675906
  H      -9.034606     -4.207609      5.725655
  H      -8.354895     -2.927569      6.736095
  H     -10.158263     -3.607351      3.537863
  H     -10.203044     -2.027491      1.620413
  H      -9.262236      0.274293      1.875063
  H      -7.273497      2.642828      6.140676
  H      -8.038349     -0.687847      5.885479
  N      -3.348760      2.503045      3.108565
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.578961875998
  N      -2.101087      0.906237      5.460625
  Mo     -3.419155      2.490834      4.774656
  N      -5.214390      2.572810      5.861568
  C      -5.061220      3.323129      7.116770
  C      -4.139683      2.610096      8.115479
  N      -2.770739      2.487986      7.598835
  C      -2.077104      1.229064      7.865177
  C      -1.266464      0.772469      6.634055
  C      -1.923826      3.664268      7.803319
  C      -1.048686      3.975026      6.570956
  N      -1.898709      3.945656      5.395781
  H      -0.344366      1.352773      6.517839
  H      -0.972127     -0.283462      6.769076
  H      -1.414447      1.297091      8.751080
  H      -2.833283      0.459173      8.073463
  H      -0.608779      4.980795      6.691978
  H      -0.221167      3.267025      6.457063
  H      -2.579126      4.532741      7.964673
  H      -1.289010      3.554784      8.704464
  H      -6.050330      3.461553      7.583507
  H      -4.675324      4.334701      6.910279
  H      -4.530746      1.596542      8.279707
  H      -4.176655      3.139555      9.087405
  C      -4.230802     -3.869363      8.210259
  C      -5.621334     -3.534186      7.651305
  C      -5.600746     -3.304976      6.159559
  C      -5.930624     -4.328758      5.260392
  C      -5.902945     -4.111067      3.878618
  C      -5.523669     -2.871176      3.373697
  C      -5.165586     -1.840305      4.256274
  C      -4.760725     -0.522758      3.669722
  O      -5.047815     -0.196201      2.532625
  N      -3.993201      0.311777      4.521755
  C      -2.889829     -0.103974      5.116465
  C      -5.221866     -2.062767      5.639770
  C      -1.357747      8.001008      0.116197
  C      -1.148575      8.218152      1.622717
  C      -2.446897      8.168324      2.387270
  C      -3.232003      9.317294      2.554011
  C      -4.472896      9.253985      3.194523
  C      -4.952078      8.038363      3.679108
  C      -4.168163      6.883168      3.549271
  C      -4.720366      5.580901      4.045839
  O      -5.911607      5.303951      3.963605
  N      -3.807821      4.689389      4.613450
  C      -2.638414      5.013690      5.151630
  C      -2.925432      6.956538      2.903024
  C     -10.544593     -3.027526      6.754125
  C      -9.204840     -3.147013      6.019263
  C      -9.123216     -2.226091      4.827823
  C      -9.695779     -2.588504      3.601286
  C      -9.713625     -1.694117      2.526871
  C      -9.182566     -0.411584      2.669390
  C      -8.574969     -0.045175      3.874801
  C      -8.079340      1.358873      4.081971
  O      -8.804132      2.322215      3.821030
  N      -6.778306      1.458366      4.523912
  C      -6.471896      2.244595      5.508169
  C      -8.534011     -0.960532      4.934781
  H      -3.830335     -4.781168      7.743004
  H      -3.521735     -3.052783      8.007758
  H      -4.268274     -4.028182      9.298326
  H      -6.320320     -4.351543      7.885992
  H      -6.007378     -2.631578      8.153259
  H      -6.235333     -5.303038      5.649998
  H      -6.185365     -4.913812      3.193548
  H      -5.507137     -2.674395      2.299681
  H      -2.622035     -1.158706      5.300299
  H      -5.002386     -1.240415      6.325351
  H      -0.399631      8.037256     -0.421802
  H      -1.823951      7.022849     -0.077181
  H      -2.016836      8.776023     -0.303688
  H      -0.465502      7.445783      2.011858
  H      -0.661005      9.192913      1.788343
  H      -2.867676     10.274308      2.169867
  H      -5.070008     10.160058      3.312082
  H      -5.928133      7.965734      4.159997
  H      -2.344781      6.035431      5.442674
  H      -2.335242      6.047250      2.762333
  H     -11.380970     -3.278870      6.088653
  H     -10.701671     -1.998658      7.111940
  H     -10.582349     -3.704317      7.620387
  H      -9.055774     -4.189387      5.692588
  H      -8.386612     -2.913370      6.713890
  H     -10.138298     -3.582552      3.490643
  H     -10.158247     -1.994804      1.576579
  H      -9.223506      0.309144      1.850335
  H      -7.269114      2.652043      6.157710
  H      -8.053430     -0.668738      5.871360
  N      -3.363545      2.496185      3.121591
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.578911945333
  N      -2.074169      0.888411      5.445849
  Mo     -3.404533      2.473786      4.773163
  N      -5.205486      2.561970      5.861439
  C      -5.054060      3.311554      7.118033
  C      -4.122346      2.603024      8.112093
  N      -2.757775      2.475347      7.573253
  C      -2.065759      1.214522      7.847994
  C      -1.243870      0.756386      6.624277
  C      -1.903487      3.649170      7.784206
  C      -1.019492      3.954457      6.555718
  N      -1.870296      3.924810      5.378397
  H      -0.318619      1.333356      6.512562
  H      -0.953199     -0.300245      6.763578
  H      -1.418039      1.282546      8.745022
  H      -2.826204      0.444414      8.042636
  H      -0.578343      4.959794      6.675072
  H      -0.191251      3.246813      6.443641
  H      -2.556080      4.521987      7.935438
  H      -1.282546      3.536724      8.694650
  H      -6.043769      3.439684      7.586561
  H      -4.675860      4.326355      6.913125
  H      -4.513963      1.591386      8.286900
  H      -4.139209      3.138209      9.082120
  C      -4.289967     -3.799680      8.259648
  C      -5.669140     -3.503522      7.658632
  C      -5.613064     -3.293750      6.167819
  C      -5.909980     -4.330950      5.279036
  C      -5.853268     -4.128821      3.899371
  C      -5.478005     -2.890826      3.386100
  C      -5.148904     -1.848629      4.258807
  C      -4.741865     -0.533561      3.668415
  O      -5.023932     -0.207933      2.530493
  N      -3.971521      0.297476      4.520497
  C      -2.867062     -0.120541      5.108260
  C      -5.233554     -2.055522      5.639970
  C      -1.393979      8.003303      0.124567
  C      -1.182916      8.223451      1.629511
  C      -2.477729      8.162466      2.398601
  C      -3.272073      9.304928      2.569339
  C      -4.508699      9.231727      3.216595
  C      -4.973700      8.012819      3.705433
  C      -4.180649      6.863818      3.571264
  C      -4.717705      5.559330      4.077040
  O      -5.910398      5.282188      4.030389
  N      -3.788538      4.667042      4.616166
  C      -2.615715      4.991339      5.145560
  C      -2.943150      6.946991      2.916226
  C     -10.519235     -2.989332      6.752832
  C      -9.193215     -3.135023      5.987546
  C      -9.121163     -2.211664      4.798268
  C      -9.718297     -2.562902      3.576154
  C      -9.741415     -1.667832      2.505362
  C      -9.194487     -0.394284      2.647920
  C      -8.565482     -0.037258      3.848922
  C      -8.056971      1.360266      4.055640
  O      -8.778152      2.325979      3.788966
  N      -6.764252      1.456019      4.514344
  C      -6.462585      2.236454      5.504158
  C      -8.516360     -0.954464      4.904574
  H      -3.858404     -4.710228      7.821322
  H      -3.592885     -2.972100      8.061284
  H      -4.354406     -3.940750      9.347331
  H      -6.355667     -4.332107      7.887774
  H      -6.086176     -2.603375      8.135994
  H      -6.211940     -5.303457      5.675286
  H      -6.109388     -4.941986      3.222927
  H      -5.440353     -2.705129      2.314781
  H      -2.604166     -1.176194      5.293953
  H      -5.035941     -1.223073      6.314866
  H      -0.437758      8.050823     -0.415647
  H      -1.848182      7.019688     -0.067369
  H      -2.063744      8.770054     -0.293413
  H      -0.490633      7.458263      2.016826
  H      -0.704616      9.202721      1.792506
  H      -2.918203     10.264598      2.183230
  H      -5.113380     10.132618      3.336833
  H      -5.945482      7.932278      4.193387
  H      -2.325034      6.011901      5.443760
  H      -2.346546      6.042602      2.770046
  H     -11.379736     -3.219578      6.100198
  H     -10.647606     -1.960061      7.120646
  H     -10.551748     -3.666967      7.618309
  H      -9.072432     -4.177053      5.650223
  H      -8.350996     -2.922150      6.670169
  H     -10.173248     -3.550089      3.466515
  H     -10.203715     -1.960501      1.558245
  H      -9.240522      0.328440      1.833019
  H      -7.262185      2.640649      6.152933
  H      -8.016022     -0.671408      5.837228
  N      -3.364813      2.482024      3.118329
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579083641440
  N      -2.080167      0.892605      5.434551
  Mo     -3.405963      2.481743      4.764066
  N      -5.202680      2.564162      5.840526
  C      -5.054527      3.309831      7.101246
  C      -4.128635      2.599267      8.098173
  N      -2.760018      2.473062      7.574014
  C      -2.071557      1.209055      7.839136
  C      -1.251423      0.755778      6.613035
  C      -1.905857      3.645514      7.786204
  C      -1.024585      3.955991      6.557746
  N      -1.873300      3.930945      5.379363
  H      -0.326201      1.333441      6.503405
  H      -0.961118     -0.301701      6.746714
  H      -1.423184      1.270693      8.735984
  H      -2.833581      0.439290      8.030030
  H      -0.582666      4.960940      6.679832
  H      -0.197150      3.248093      6.443768
  H      -2.557356      4.517289      7.944581
  H      -1.281625      3.528960      8.693310
  H      -6.046130      3.435367      7.565688
  H      -4.676858      4.325827      6.900466
  H      -4.519961      1.586850      8.270192
  H      -4.154113      3.134508      9.067950
  C      -4.305861     -3.787800      8.246331
  C      -5.687029     -3.480266      7.651764
  C      -5.636968     -3.274178      6.158947
  C      -5.950673     -4.311076      5.270740
  C      -5.900747     -4.111945      3.889073
  C      -5.514924     -2.877646      3.373096
  C      -5.167799     -1.836067      4.244966
  C      -4.748796     -0.525606      3.649755
  O      -5.039205     -0.198515      2.513208
  N      -3.977295      0.304786      4.502036
  C      -2.873102     -0.115073      5.091738
  C      -5.246693     -2.039977      5.628106
  C      -1.392343      8.027516      0.119930
  C      -1.172074      8.226701      1.626113
  C      -2.463279      8.172679      2.403528
  C      -3.245273      9.320408      2.590687
  C      -4.479014      9.253627      3.245559
  C      -4.952715      8.036304      3.726790
  C      -4.170899      6.882027      3.578405
  C      -4.714787      5.580011      4.083173
  O      -5.907978      5.309230      4.032704
  N      -3.789529      4.681375      4.617628
  C      -2.615413      5.000710      5.147952
  C      -2.937485      6.958860      2.913848
  C     -10.537183     -3.008180      6.768209
  C      -9.191219     -3.142722      6.040185
  C      -9.101894     -2.238665      4.834826
  C      -9.667196     -2.618193      3.609434
  C      -9.679190     -1.738593      2.522561
  C      -9.150092     -0.453820      2.651351
  C      -8.547684     -0.071085      3.855258
  C      -8.044096      1.332627      4.041389
  O      -8.764760      2.294043      3.758653
  N      -6.754217      1.438844      4.502608
  C      -6.459247      2.231750      5.484166
  C      -8.511855     -0.971802      4.927692
  H      -3.884630     -4.703693      7.806671
  H      -3.601311     -2.966455      8.043100
  H      -4.365652     -3.926182      9.335671
  H      -6.380753     -4.302977      7.885518
  H      -6.094425     -2.575137      8.130361
  H      -6.261802     -5.280714      5.669173
  H      -6.171386     -4.924860      3.212910
  H      -5.482273     -2.694501      2.299834
  H      -2.610216     -1.171836      5.271343
  H      -5.035154     -1.208022      6.302932
  H      -0.438402      8.068896     -0.425820
  H      -1.859747      7.053917     -0.081501
  H      -2.053499      8.806475     -0.284273
  H      -0.487646      7.450206      1.999490
  H      -0.681841      9.196906      1.798736
  H      -2.884192     10.279101      2.211285
  H      -5.074482     10.158773      3.378437
  H      -5.921962      7.961217      4.222188
  H      -2.320959      6.019674      5.447630
  H      -2.350009      6.051040      2.756428
  H     -11.372488     -3.266670      6.101885
  H     -10.692321     -1.973403      7.108073
  H     -10.583210     -3.671063      7.646553
  H      -9.045195     -4.190123      5.729635
  H      -8.374117     -2.902002      6.735223
  H     -10.108417     -3.614448      3.509880
  H     -10.117786     -2.053021      1.573232
  H      -9.185929      0.255973      1.822861
  H      -7.259515      2.640660      6.128053
  H      -8.032491     -0.668818      5.862536
  N      -3.372429      2.497306      3.109210
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579088257299
  N      -2.094412      0.893552      5.463716
  Mo     -3.413956      2.479117      4.776676
  N      -5.209088      2.570775      5.859598
  C      -5.050086      3.318240      7.116545
  C      -4.128237      2.608623      8.116674
  N      -2.757379      2.482255      7.605620
  C      -2.068588      1.220088      7.867370
  C      -1.257851      0.762300      6.636924
  C      -1.906872      3.656517      7.803871
  C      -1.035896      3.965384      6.567161
  N      -1.888021      3.933955      5.392812
  H      -0.335072      1.341521      6.518236
  H      -0.963327     -0.293754      6.771661
  H      -1.410392      1.284354      8.757207
  H      -2.828986      0.452371      8.069076
  H      -0.595272      4.971341      6.683053
  H      -0.207623      3.257755      6.452547
  H      -2.559939      4.526362      7.969227
  H      -1.269764      3.544628      8.703884
  H      -6.039522      3.454108      7.583298
  H      -4.665829      4.330014      6.908310
  H      -4.518672      1.596861      8.292123
  H      -4.161578      3.149018      9.083246
  C      -4.224261     -3.839293      8.247142
  C      -5.615702     -3.524400      7.680469
  C      -5.592630     -3.304321      6.187559
  C      -5.916719     -4.334356      5.294293
  C      -5.887049     -4.124539      3.911945
  C      -5.512336     -2.886261      3.400094
  C      -5.160373     -1.849625      4.276336
  C      -4.757271     -0.535574      3.681414
  O      -5.046956     -0.215472      2.543051
  N      -3.985381      0.299411      4.524994
  C      -2.884860     -0.116112      5.122582
  C      -5.216901     -2.064645      5.660718
  C      -1.396324      8.005422      0.094705
  C      -1.170856      8.211190      1.599621
  C      -2.460641      8.161935      2.380112
  C      -3.240100      9.311702      2.563657
  C      -4.473047      9.249040      3.220300
  C      -4.948782      8.033828      3.705869
  C      -4.169486      6.877592      3.560753
  C      -4.716989      5.577372      4.067281
  O      -5.910167      5.305894      4.008068
  N      -3.797815      4.682109      4.615150
  C      -2.625310      5.003674      5.147959
  C      -2.936365      6.950345      2.895863
  C     -10.554728     -3.042563      6.707352
  C      -9.211633     -3.147470      5.974768
  C      -9.133845     -2.213726      4.793097
  C      -9.703742     -2.564767      3.562006
  C      -9.727033     -1.658162      2.498274
  C      -9.199683     -0.376699      2.655415
  C      -8.592280     -0.022357      3.865200
  C      -8.088297      1.376411      4.080507
  O      -8.801727      2.345151      3.810868
  N      -6.786347      1.465453      4.527323
  C      -6.471743      2.250393      5.510116
  C      -8.549705     -0.947844      4.915111
  H      -3.812119     -4.750667      7.790102
  H      -3.523364     -3.017329      8.040119
  H      -4.264117     -3.989155      9.336119
  H      -6.305205     -4.348393      7.918447
  H      -6.014485     -2.623712      8.175162
  H      -6.217188     -5.307329      5.689425
  H      -6.163574     -4.932686      3.232106
  H      -5.492231     -2.695604      2.325658
  H      -2.620487     -1.171845      5.304793
  H      -4.998663     -1.238279      6.341102
  H      -0.444046      8.043040     -0.453963
  H      -1.866716      7.031552     -0.100472
  H      -2.057326      8.783672     -0.311836
  H      -0.486821      7.435081      1.975529
  H      -0.678256      9.181612      1.766835
  H      -2.877750     10.268378      2.180041
  H      -5.066406     10.155427      3.350392
  H      -5.917787      7.962108      4.201599
  H      -2.327835      6.025030      5.436054
  H      -2.350699      6.041096      2.741717
  H     -11.387462     -3.291316      6.036836
  H     -10.718707     -2.018957      7.073459
  H     -10.592195     -3.727423      7.567562
  H      -9.057027     -4.184916      5.638158
  H      -8.396083     -2.916783      6.672842
  H     -10.140703     -3.559088      3.439429
  H     -10.169399     -1.950295      1.544485
  H      -9.241914      0.352538      1.844745
  H      -7.263819      2.670984      6.157048
  H      -8.068138     -0.665998      5.854524
  N      -3.367437      2.489152      3.122819
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579192335067
  N      -2.085636      0.886709      5.449253
  Mo     -3.407460      2.476445      4.770036
  N      -5.202947      2.568188      5.857578
  C      -5.045334      3.315085      7.115342
  C      -4.118201      2.606263      8.111489
  N      -2.750436      2.475084      7.589662
  C      -2.065402      1.210090      7.852376
  C      -1.251829      0.752168      6.624211
  C      -1.893350      3.645456      7.791340
  C      -1.019664      3.952767      6.556430
  N      -1.872939      3.925552      5.382355
  H      -0.326575      1.328243      6.508092
  H      -0.961519     -0.305172      6.758977
  H      -1.411930      1.270871      8.745881
  H      -2.829060      0.443859      8.048463
  H      -0.576334      4.957726      6.673166
  H      -0.192814      3.243928      6.440587
  H      -2.542424      4.518228      7.955837
  H      -1.260186      3.528781      8.693163
  H      -6.034545      3.445624      7.584203
  H      -4.664961      4.328728      6.908258
  H      -4.509967      1.595719      8.291802
  H      -4.141702      3.148423      9.077410
  C      -4.275326     -3.802523      8.255239
  C      -5.661030     -3.499111      7.669033
  C      -5.620488     -3.287947      6.176118
  C      -5.936857     -4.322438      5.285627
  C      -5.895521     -4.118772      3.903510
  C      -5.515997     -2.882283      3.389316
  C      -5.167820     -1.842508      4.263347
  C      -4.757566     -0.530169      3.668681
  O      -5.048275     -0.205753      2.531619
  N      -3.980199      0.300044      4.513550
  C      -2.879382     -0.120385      5.107627
  C      -5.236971     -2.051203      5.647049
  C      -1.401101      8.012058      0.110513
  C      -1.180567      8.233220      1.614684
  C      -2.471084      8.174910      2.392404
  C      -3.261176      9.319255      2.568299
  C      -4.494090      9.248440      3.223518
  C      -4.959500      8.030298      3.714449
  C      -4.170805      6.879148      3.574396
  C      -4.710982      5.575877      4.081018
  O      -5.905205      5.305024      4.038143
  N      -3.785167      4.678329      4.614750
  C      -2.610557      4.996607      5.144673
  C      -2.936917      6.960091      2.912680
  C     -10.549876     -3.023434      6.728072
  C      -9.204883     -3.147417      5.998591
  C      -9.117202     -2.226014      4.807707
  C      -9.680580     -2.588594      3.576714
  C      -9.692636     -1.694171      2.503630
  C      -9.164228     -0.411865      2.651421
  C      -8.564413     -0.045404      3.861080
  C      -8.060255      1.355414      4.064138
  O      -8.771588      2.321847      3.777839
  N      -6.767386      1.449864      4.527512
  C      -6.462738      2.241360      5.507499
  C      -8.529520     -0.960326      4.920144
  H      -3.852664     -4.715480      7.810949
  H      -3.575710     -2.978166      8.050313
  H      -4.328053     -3.943947      9.344576
  H      -6.349934     -4.325053      7.903669
  H      -6.070218     -2.597301      8.152820
  H      -6.242807     -5.293724      5.682641
  H      -6.167895     -4.930108      3.225683
  H      -5.489534     -2.695787      2.315114
  H      -2.619494     -1.177698      5.288311
  H      -5.023765     -1.221347      6.324314
  H      -0.448067      8.058834     -0.436113
  H      -1.858134      7.028532     -0.077823
  H      -2.072691      8.779009     -0.304769
  H      -0.487680      7.467099      1.999421
  H      -0.698981      9.211954      1.774920
  H      -2.906782     10.278413      2.180148
  H      -5.095869     10.150654      3.347768
  H      -5.928803      7.951892      4.207913
  H      -2.312135      6.016421      5.437411
  H      -2.343338      6.054449      2.762547
  H     -11.384984     -3.270898      6.056684
  H     -10.705609     -1.994421      7.085439
  H     -10.595452     -3.699713      7.595061
  H      -9.058257     -4.189624      5.671553
  H      -8.387148     -2.917039      6.697398
  H     -10.119588     -3.583387      3.461525
  H     -10.129181     -1.995785      1.549845
  H      -9.199267      0.308969      1.833527
  H      -7.258293      2.657838      6.152712
  H      -8.053274     -0.669450      5.859407
  N      -3.364696      2.488649      3.116174
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579221382582
  N      -2.077936      0.878080      5.436510
  Mo     -3.404567      2.470167      4.765971
  N      -5.200181      2.562568      5.848359
  C      -5.045886      3.308219      7.107501
  C      -4.116211      2.600739      8.102275
  N      -2.749802      2.466709      7.574488
  C      -2.067643      1.199797      7.839599
  C      -1.248445      0.742346      6.615036
  C      -1.888808      3.634536      7.780308
  C      -1.009915      3.939169      6.548185
  N      -1.861024      3.914868      5.371605
  H      -0.321842      1.317134      6.502545
  H      -0.960076     -0.315495      6.750838
  H      -1.420725      1.258076      8.737994
  H      -2.834055      0.434344      8.028545
  H      -0.564491      4.943151      6.666132
  H      -0.184078      3.228788      6.434084
  H      -2.535994      4.509555      7.941675
  H      -1.260958      3.515267      8.685579
  H      -6.035937      3.433159      7.576282
  H      -4.669515      4.323776      6.902357
  H      -4.508535      1.591054      8.286619
  H      -4.134370      3.145290      9.067261
  C      -4.287959     -3.754044      8.276374
  C      -5.673634     -3.475067      7.678867
  C      -5.626675     -3.275955      6.184620
  C      -5.934729     -4.317854      5.301043
  C      -5.888184     -4.123985      3.917938
  C      -5.511728     -2.889896      3.395933
  C      -5.169950     -1.843651      4.263356
  C      -4.756752     -0.534624      3.663366
  O      -5.048373     -0.212211      2.526019
  N      -3.976592      0.294632      4.506746
  C      -2.874702     -0.127684      5.097209
  C      -5.244463     -2.042540      5.647738
  C      -1.428974      8.024991      0.106594
  C      -1.195307      8.227082      1.610079
  C      -2.479014      8.171083      2.399966
  C      -3.260771      9.317669      2.594761
  C      -4.487479      9.249306      3.262707
  C      -4.953874      8.031667      3.749573
  C      -4.172327      6.878111      3.592660
  C      -4.709845      5.576734      4.105474
  O      -5.905629      5.311922      4.085085
  N      -3.777782      4.673362      4.617936
  C      -2.600235      4.987429      5.142922
  C      -2.946271      6.956635      2.915086
  C     -10.555586     -3.004502      6.722193
  C      -9.206413     -3.139107      6.001585
  C      -9.109939     -2.227952      4.803648
  C      -9.671142     -2.597918      3.572769
  C      -9.679151     -1.710910      2.493146
  C      -9.148808     -0.428782      2.634067
  C      -8.550101     -0.055432      3.843444
  C      -8.041441      1.344914      4.036526
  O      -8.749072      2.311163      3.737475
  N      -6.756484      1.441760      4.513843
  C      -6.459005      2.235704      5.493470
  C      -8.519287     -0.962853      4.909195
  H      -3.850525     -4.665905      7.844633
  H      -3.597726     -2.922740      8.066946
  H      -4.345827     -3.884767      9.366855
  H      -6.352868     -4.307989      7.916737
  H      -6.097784     -2.574922      8.152205
  H      -6.238084     -5.287239      5.704267
  H      -6.153195     -4.941158      3.245777
  H      -5.481144     -2.710810      2.321248
  H      -2.617996     -1.186001      5.276876
  H      -5.035354     -1.207272      6.318771
  H      -0.480407      8.069968     -0.448137
  H      -1.894127      7.049281     -0.089174
  H      -2.097305      8.800359     -0.292633
  H      -0.505315      7.453129      1.978630
  H      -0.705884      9.198622      1.776964
  H      -2.904993     10.276594      2.211354
  H      -5.082976     10.153422      3.401536
  H      -5.917275      7.955288      4.255902
  H      -2.300486      6.005410      5.440830
  H      -2.359024      6.049888      2.751294
  H     -11.387715     -3.255334      6.047987
  H     -10.709465     -1.971957      7.068888
  H     -10.609319     -3.672349      7.595027
  H      -9.062315     -4.184366      5.684089
  H      -8.391441     -2.905474      6.702788
  H     -10.112731     -3.592272      3.463092
  H     -10.115076     -2.017943      1.539611
  H      -9.181201      0.286989      1.811224
  H      -7.257843      2.653905      6.133667
  H      -8.043506     -0.666706      5.848241
  N      -3.373828      2.485875      3.110987
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.510172789101
  N      -2.070497      0.875279      5.434981
  Mo     -3.397773      2.467944      4.764315
  N      -5.193812      2.559989      5.845161
  C      -5.039881      3.305033      7.104496
  C      -4.110734      2.598547      8.100043
  N      -2.743886      2.463706      7.574872
  C      -2.063628      1.195919      7.838655
  C      -1.242913      0.739216      6.614940
  C      -1.881997      3.630345      7.780492
  C      -1.003393      3.935442      6.548410
  N      -1.853039      3.912228      5.370841
  H      -0.316204      1.314151      6.503865
  H      -0.954401     -0.318613      6.750426
  H      -1.417565      1.252275      8.737938
  H      -2.831175      0.431115      8.025610
  H      -0.557887      4.939214      6.667403
  H      -0.177485      3.225237      6.434543
  H      -2.528492      4.505419      7.944246
  H      -1.252437      3.509971      8.684633
  H      -6.030079      3.429129      7.573285
  H      -4.664173      4.320837      6.899253
  H      -4.502971      1.589237      8.286595
  H      -4.130251      3.145333      9.063905
  C      -4.309609     -3.743996      8.280111
  C      -5.692034     -3.466748      7.673807
  C      -5.636651     -3.270964      6.179681
  C      -5.946829     -4.313329      5.296454
  C      -5.893187     -4.122216      3.913655
  C      -5.508229     -2.890335      3.391595
  C      -5.165026     -1.843463      4.258599
  C      -4.746959     -0.536282      3.657868
  O      -5.035684     -0.214513      2.519465
  N      -3.967197      0.292422      4.501487
  C      -2.867081     -0.130195      5.094476
  C      -5.245498     -2.039834      5.642665
  C      -1.440441      8.022311      0.106802
  C      -1.203596      8.235560      1.608767
  C      -2.485050      8.177164      2.401703
  C      -3.270614      9.321854      2.593035
  C      -4.495366      9.251168      3.263789
  C      -4.956202      8.033003      3.756193
  C      -4.171318      6.881183      3.601592
  C      -4.705321      5.579241      4.117106
  O      -5.900860      5.314187      4.103953
  N      -3.770256      4.673535      4.619860
  C      -2.592286      4.985595      5.144559
  C      -2.946719      6.962086      2.922389
  C     -10.559114     -3.003879      6.724100
  C      -9.206132     -3.137022      6.010158
  C      -9.106709     -2.229382      4.809459
  C      -9.662305     -2.604253      3.577763
  C      -9.667983     -1.720552      2.495258
  C      -9.139973     -0.437228      2.633694
  C      -8.546396     -0.059178      3.843922
  C      -8.037436      1.341736      4.031989
  O      -8.740295      2.307223      3.721045
  N      -6.751726      1.438248      4.512043
  C      -6.453087      2.234583      5.489391
  C      -8.518752     -0.962916      4.912894
  H      -3.869625     -4.657246      7.853476
  H      -3.618217     -2.913069      8.072282
  H      -4.373439     -3.871417      9.370388
  H      -6.372690     -4.299513      7.909215
  H      -6.119448     -2.565531      8.142745
  H      -6.257342     -5.280914      5.699732
  H      -6.160026     -4.939874      3.241700
  H      -5.472846     -2.713514      2.317063
  H      -2.611526     -1.188890      5.272836
  H      -5.035049     -1.204087      6.313260
  H      -0.493639      8.070177     -0.450479
  H      -1.900334      7.041562     -0.081541
  H      -2.115060      8.791392     -0.296297
  H      -0.508366      7.467081      1.981307
  H      -0.718555      9.211470      1.768461
  H      -2.919311     10.281157      2.204719
  H      -5.093869     10.153731      3.399948
  H      -5.918376      7.954623      4.263874
  H      -2.291672      6.002983      5.443723
  H      -2.356712      6.056583      2.760474
  H     -11.387022     -3.258674      6.046607
  H     -10.717585     -1.970726      7.066788
  H     -10.615659     -3.669459      7.598839
  H      -9.057864     -4.182961      5.696938
  H      -8.395004     -2.899186      6.713945
  H     -10.101303     -3.599852      3.469576
  H     -10.099247     -2.031604      1.541252
  H      -9.169682      0.275672      1.808323
  H      -7.251177      2.656857      6.127525
  H      -8.047165     -0.662988      5.852567
  N      -3.367000      2.488468      3.110163
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.578540469481
  N      -2.041473      0.857964      5.440515
  Mo     -3.367179      2.453890      4.759208
  N      -5.165772      2.547606      5.837116
  C      -5.007620      3.289621      7.095329
  C      -4.084813      2.586914      8.096513
  N      -2.714529      2.447616      7.595042
  C      -2.045758      1.175652      7.848517
  C      -1.222170      0.720430      6.626542
  C      -1.849631      3.608130      7.792449
  C      -0.977815      3.915972      6.556401
  N      -1.819898      3.897557      5.374734
  H      -0.295037      1.295908      6.520092
  H      -0.932786     -0.337258      6.760377
  H      -1.396808      1.221538      8.747738
  H      -2.819080      0.415929      8.031875
  H      -0.531446      4.918455      6.680386
  H      -0.152029      3.206087      6.443573
  H      -2.493031      4.481863      7.974885
  H      -1.201210      3.484297      8.684918
  H      -5.996925      3.416323      7.566258
  H      -4.630274      4.304197      6.885922
  H      -4.477513      1.580074      8.294681
  H      -4.119017      3.146636      9.053346
  C      -4.373704     -3.705869      8.288156
  C      -5.750268     -3.443264      7.658231
  C      -5.673224     -3.258416      6.164007
  C      -6.001446     -4.299843      5.280175
  C      -5.921688     -4.118661      3.898747
  C      -5.496295     -2.897247      3.378524
  C      -5.142931     -1.848643      4.245162
  C      -4.703805     -0.550287      3.640909
  O      -4.980314     -0.232735      2.497259
  N      -3.924925      0.276688      4.481793
  C      -2.835870     -0.146299      5.091836
  C      -5.244440     -2.036444      5.627800
  C      -1.496134      8.000242      0.101913
  C      -1.241964      8.285606      1.592925
  C      -2.510777      8.213550      2.402128
  C      -3.320119      9.346679      2.567160
  C      -4.534575      9.263009      3.251157
  C      -4.963449      8.042251      3.776852
  C      -4.158397      6.900610      3.640257
  C      -4.676566      5.594747      4.164589
  O      -5.868765      5.326624      4.176091
  N      -3.733635      4.677332      4.626552
  C      -2.554938      4.976741      5.153967
  C      -2.939573      6.995259      2.957694
  C     -10.590059     -3.018633      6.715984
  C      -9.215980     -3.123348      6.036629
  C      -9.107683     -2.223456      4.828535
  C      -9.628378     -2.618009      3.590500
  C      -9.623182     -1.744156      2.499597
  C      -9.110911     -0.454298      2.633453
  C      -8.549476     -0.057815      3.850503
  C      -8.037302      1.344068      4.020033
  O      -8.706248      2.307606      3.644425
  N      -6.743468      1.428433      4.514248
  C      -6.429652      2.236429      5.477926
  C      -8.540397     -0.948323      4.930001
  H      -3.921576     -4.621347      7.876339
  H      -3.684849     -2.871680      8.082328
  H      -4.450699     -3.821945      9.377740
  H      -6.430076     -4.279920      7.887012
  H      -6.193386     -2.540599      8.114003
  H      -6.343760     -5.259492      5.682262
  H      -6.201918     -4.936781      3.225774
  H      -5.439861     -2.730363      2.304817
  H      -2.586787     -1.206976      5.262506
  H      -5.022814     -1.201236      6.299447
  H      -0.560247      8.063875     -0.470628
  H      -1.923449      6.988970     -0.037948
  H      -2.208833      8.729024     -0.326987
  H      -0.514833      7.552245      1.992321
  H      -0.784799      9.288252      1.706680
  H      -2.995246     10.307464      2.147635
  H      -5.151624     10.155984      3.367118
  H      -5.920357      7.952195      4.287485
  H      -2.246309      5.991605      5.453872
  H      -2.332521      6.096916      2.810688
  H     -11.391617     -3.296885      6.019290
  H     -10.784847     -1.987810      7.045574
  H     -10.654238     -3.680934      7.595567
  H      -9.034063     -4.168266      5.738809
  H      -8.429142     -2.861047      6.755528
  H     -10.047495     -3.621460      3.482540
  H     -10.024411     -2.071907      1.541778
  H      -9.124385      0.247615      1.799645
  H      -7.219573      2.687344      6.104428
  H      -8.094924     -0.633253      5.874675
  N      -3.330419      2.498898      3.107210
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579296269384
  N      -2.064034      0.865313      5.438168
  Mo     -3.390259      2.459560      4.761464
  N      -5.184698      2.554130      5.844508
  C      -5.028248      3.300182      7.101854
  C      -4.099989      2.596521      8.099757
  N      -2.732557      2.457209      7.581880
  C      -2.057962      1.187201      7.842416
  C      -1.238196      0.729150      6.619273
  C      -1.866756      3.620191      7.780562
  C      -0.992622      3.923113      6.544637
  N      -1.842041      3.901662      5.367701
  H      -0.311355      1.303441      6.508174
  H      -0.949859     -0.328536      6.755380
  H      -1.409347      1.239269      8.740312
  H      -2.827964      0.425419      8.029797
  H      -0.544901      4.925880      6.663521
  H      -0.168191      3.211336      6.430598
  H      -2.509625      4.496535      7.952233
  H      -1.227640      3.497954      8.678364
  H      -6.017386      3.426073      7.572817
  H      -4.652115      4.315125      6.893348
  H      -4.493273      1.589057      8.293562
  H      -4.123731      3.150058      9.059676
  C      -4.324592     -3.721145      8.294763
  C      -5.706544     -3.459771      7.679123
  C      -5.644745     -3.269252      6.184267
  C      -5.958423     -4.312516      5.302032
  C      -5.899498     -4.125438      3.918375
  C      -5.506797     -2.896650      3.394723
  C      -5.161795     -1.848127      4.260792
  C      -4.740406     -0.543807      3.657473
  O      -5.027645     -0.224862      2.517640
  N      -3.956441      0.284192      4.495981
  C      -2.860523     -0.139279      5.095478
  C      -5.245425     -2.040961      5.645554
  C      -1.475962      8.022306      0.097411
  C      -1.223715      8.248844      1.595499
  C      -2.496708      8.187842      2.401248
  C      -3.284059      9.330935      2.595662
  C      -4.501650      9.258040      3.278516
  C      -4.953821      8.038945      3.778558
  C      -4.167878      6.888198      3.618547
  C      -4.696537      5.585344      4.137609
  O      -5.893475      5.324744      4.147710
  N      -3.757090      4.672778      4.618865
  C      -2.577683      4.978208      5.142694
  C      -2.949408      6.971564      2.929729
  C     -10.578038     -3.000628      6.708934
  C      -9.216169     -3.128588      6.010745
  C      -9.108623     -2.224828      4.807562
  C      -9.648844     -2.607220      3.572240
  C      -9.644482     -1.729195      2.486043
  C      -9.119325     -0.444832      2.623270
  C      -8.540779     -0.059382      3.837386
  C      -8.027628      1.340937      4.017347
  O      -8.712783      2.308240      3.674792
  N      -6.746007      1.430967      4.515187
  C      -6.445249      2.234383      5.486107
  C      -8.525202     -0.956625      4.911122
  H      -3.873840     -4.632509      7.874697
  H      -3.640228     -2.884666      8.086658
  H      -4.392531     -3.843411      9.385233
  H      -6.380947     -4.298223      7.912730
  H      -6.146414     -2.560813      8.142229
  H      -6.275355     -5.277648      5.706431
  H      -6.168840     -4.944200      3.246988
  H      -5.467337     -2.723615      2.318886
  H      -2.609399     -1.199238      5.271604
  H      -5.032690     -1.204573      6.315712
  H      -0.535803      8.073707     -0.470311
  H      -1.930986      7.035476     -0.078358
  H      -2.161456      8.783770     -0.305038
  H      -0.519663      7.486589      1.967623
  H      -0.742437      9.229788      1.743225
  H      -2.939800     10.290835      2.200414
  H      -5.101412     10.159336      3.417348
  H      -5.910893      7.958393      4.294546
  H      -2.271643      5.994484      5.440554
  H      -2.358219      6.067115      2.764928
  H     -11.396146     -3.261035      6.021525
  H     -10.747161     -1.967577      7.047964
  H     -10.641145     -3.664893      7.584749
  H      -9.058208     -4.174861      5.702744
  H      -8.413931     -2.884255      6.722690
  H     -10.082496     -3.604800      3.463365
  H     -10.062456     -2.046812      1.529621
  H      -9.138606      0.262725      1.794125
  H      -7.242422      2.670112      6.116033
  H      -8.065703     -0.650544      5.853729
  N      -3.356541      2.486155      3.108016
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579325818461
  N      -2.061947      0.863737      5.435170
  Mo     -3.389613      2.458791      4.762196
  N      -5.186357      2.551402      5.841065
  C      -5.033569      3.297478      7.099082
  C      -4.104994      2.592989      8.096998
  N      -2.737719      2.453689      7.575028
  C      -2.062894      1.183464      7.839008
  C      -1.238777      0.726157      6.618106
  C      -1.870872      3.616579      7.778488
  C      -0.991338      3.918605      6.545601
  N      -1.839364      3.898502      5.366776
  H      -0.310906      1.299840      6.510432
  H      -0.951883     -0.331889      6.754861
  H      -1.418544      1.235743      8.740191
  H      -2.833499      0.420775      8.022569
  H      -0.542849      4.920955      6.666128
  H      -0.167210      3.206236      6.433030
  H      -2.513598      4.493984      7.945167
  H      -1.237871      3.493815      8.680478
  H      -6.023757      3.421365      7.568318
  H      -4.658383      4.313364      6.893212
  H      -4.499224      1.585329      8.288420
  H      -4.126459      3.143933      9.058417
  C      -4.320106     -3.702407      8.297039
  C      -5.703045     -3.451661      7.680438
  C      -5.642028     -3.263911      6.185030
  C      -5.951012     -4.309396      5.305417
  C      -5.892239     -4.124822      3.921318
  C      -5.504132     -2.896259      3.394770
  C      -5.162537     -1.846097      4.258575
  C      -4.739802     -0.542358      3.654641
  O      -5.027461     -0.222125      2.515373
  N      -3.956021      0.284622      4.495403
  C      -2.859503     -0.140224      5.092713
  C      -5.246924     -2.036196      5.643499
  C      -1.486656      8.019461      0.096161
  C      -1.228006      8.239065      1.593894
  C      -2.498037      8.180882      2.405151
  C      -3.280706      9.325697      2.606763
  C      -4.496361      9.255370      3.293835
  C      -4.950976      8.037193      3.791822
  C      -4.168898      6.884929      3.626236
  C      -4.697742      5.583360      4.146600
  O      -5.894026      5.323378      4.158722
  N      -3.756405      4.669602      4.622389
  C      -2.576612      4.974728      5.145268
  C      -2.952964      6.965663      2.931805
  C     -10.574781     -2.986823      6.708673
  C      -9.213311     -3.120954      6.012995
  C      -9.103213     -2.223433      4.806294
  C      -9.650349     -2.607810      3.573555
  C      -9.649551     -1.732511      2.484150
  C      -9.120907     -0.449019      2.615815
  C      -8.534038     -0.062353      3.827085
  C      -8.018315      1.337381      4.002687
  O      -8.704467      2.303865      3.659499
  N      -6.741102      1.430063      4.504963
  C      -6.445607      2.232604      5.477613
  C      -8.514855     -0.956985      4.903899
  H      -3.863337     -4.611432      7.879300
  H      -3.641180     -2.862023      8.087213
  H      -4.388096     -3.822790      9.388022
  H      -6.371818     -4.293667      7.916041
  H      -6.148603     -2.554981      8.141337
  H      -6.263734     -5.274428      5.712126
  H      -6.156833     -4.945237      3.252176
  H      -5.463921     -2.725021      2.319134
  H      -2.609417     -1.200501      5.269552
  H      -5.035896     -1.198220      6.311383
  H      -0.548415      8.068517     -0.475381
  H      -1.946251      7.036276     -0.081690
  H      -2.169932      8.784910     -0.299885
  H      -0.525905      7.473229      1.959552
  H      -0.742411      9.216670      1.743031
  H      -2.934663     10.284925      2.213290
  H      -5.092580     10.158135      3.437866
  H      -5.906276      7.958567      4.311957
  H      -2.271808      5.990292      5.446688
  H      -2.365709      6.060009      2.761708
  H     -11.392625     -3.250307      6.023091
  H     -10.741037     -1.952018      7.040388
  H     -10.640227     -3.644877      7.587695
  H      -9.058352     -4.168624      5.710452
  H      -8.411536     -2.874849      6.723988
  H     -10.089108     -3.603753      3.469669
  H     -10.075552     -2.050521      1.529726
  H      -9.144821      0.257645      1.784449
  H      -7.245817      2.666160      6.105497
  H      -8.049399     -0.649725      5.844492
  N      -3.361828      2.484295      3.107942
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579310695034
  N      -2.076396      0.863159      5.447829
  Mo     -3.400513      2.456327      4.766378
  N      -5.195543      2.550872      5.848183
  C      -5.039721      3.298793      7.104235
  C      -4.113449      2.592671      8.103552
  N      -2.745842      2.454701      7.585119
  C      -2.068646      1.186715      7.850718
  C      -1.249592      0.726523      6.627661
  C      -1.881462      3.619463      7.783872
  C      -1.004927      3.920137      6.548184
  N      -1.855367      3.897501      5.371899
  H      -0.322195      1.299903      6.516449
  H      -0.962791     -0.331386      6.765544
  H      -1.418557      1.242603      8.747446
  H      -2.836764      0.423769      8.041976
  H      -0.556345      4.922624      6.666911
  H      -0.181468      3.207056      6.435300
  H      -2.525405      4.496070      7.950329
  H      -1.244435      3.500411      8.683715
  H      -6.028863      3.428558      7.573956
  H      -4.660379      4.312790      6.896739
  H      -4.508339      1.584592      8.291131
  H      -4.139332      3.141027      9.065837
  C      -4.249244     -3.716327      8.291267
  C      -5.646325     -3.474116      7.703677
  C      -5.615239     -3.279522      6.206821
  C      -5.928180     -4.323412      5.327452
  C      -5.887883     -4.134406      3.941997
  C      -5.513286     -2.903201      3.413929
  C      -5.170130     -1.853638      4.277281
  C      -4.755505     -0.548180      3.671904
  O      -5.049548     -0.229169      2.533931
  N      -3.970199      0.281369      4.508558
  C      -2.872709     -0.141629      5.106175
  C      -5.238684     -2.047720      5.663411
  C      -1.483450      8.023672      0.086776
  C      -1.219974      8.228949      1.585210
  C      -2.489217      8.173676      2.398184
  C      -3.265120      9.321753      2.607658
  C      -4.480883      9.254692      3.295213
  C      -4.942513      8.036356      3.785812
  C      -4.166755      6.880888      3.613148
  C      -4.701990      5.579136      4.125774
  O      -5.898364      5.320255      4.124623
  N      -3.767904      4.666800      4.616751
  C      -2.589970      4.973412      5.142723
  C      -2.950458      6.958357      2.918418
  C     -10.587156     -2.991101      6.688688
  C      -9.228647     -3.115580      5.983424
  C      -9.125207     -2.206984      4.784022
  C      -9.673967     -2.582439      3.550130
  C      -9.671192     -1.700714      2.467140
  C      -9.138977     -0.419465      2.606639
  C      -8.551779     -0.041387      3.819241
  C      -8.032115      1.355504      4.004690
  O      -8.715380      2.327667      3.669619
  N      -6.754958      1.439463      4.507911
  C      -6.455797      2.237856      5.483299
  C      -8.534819     -0.942394      4.889633
  H      -3.793481     -4.618465      7.858267
  H      -3.582010     -2.869154      8.073278
  H      -4.294653     -3.844121      9.383243
  H      -6.303143     -4.322178      7.948809
  H      -6.089984     -2.583159      8.177131
  H      -6.227468     -5.291214      5.735455
  H      -6.153854     -4.953785      3.272874
  H      -5.482898     -2.729579      2.337589
  H      -2.621649     -1.201282      5.285423
  H      -5.024864     -1.211471      6.332199
  H      -0.546108      8.068530     -0.486652
  H      -1.951840      7.046510     -0.097442
  H      -2.160879      8.797904     -0.301097
  H      -0.522648      7.455321      1.942565
  H      -0.727438      9.201395      1.740932
  H      -2.913892     10.281045      2.219652
  H      -5.071627     10.160078      3.445355
  H      -5.898106      7.960288      4.306091
  H      -2.284197      5.990228      5.438857
  H      -2.368276      6.050345      2.743449
  H     -11.408913     -3.249833      6.004921
  H     -10.755144     -1.959842      7.032838
  H     -10.644054     -3.658813      7.562111
  H      -9.071479     -4.160300      5.670323
  H      -8.424173     -2.873903      6.693475
  H     -10.113252     -3.577418      3.439764
  H     -10.096614     -2.012281      1.511719
  H      -9.159679      0.291160      1.780216
  H      -7.255133      2.673326      6.110984
  H      -8.067829     -0.642207      5.831154
  N      -3.366271      2.473596      3.112067
90
Coordinates from ORCA-job /scratch/magstr/orcajob__5658571-cIgL/orca E -6148.579347262735
  N      -2.061201      0.858065      5.436891
  Mo     -3.390097      2.450752      4.758726
  N      -5.183066      2.544814      5.840527
  C      -5.029603      3.294329      7.096301
  C      -4.100180      2.591859      8.095133
  N      -2.733728      2.452018      7.573007
  C      -2.057269      1.183331      7.839681
  C      -1.236154      0.722624      6.618430
  C      -1.867519      3.615870      7.770822
  C      -0.991000      3.914635      6.535086
  N      -1.840864      3.891857      5.358221
  H      -0.308749      1.295736      6.508198
  H      -0.949275     -0.335221      6.757291
  H      -1.409946      1.238784      8.737993
  H      -2.826087      0.420894      8.028465
  H      -0.542398      4.917129      6.652864
  H      -0.167404      3.201586      6.422697
  H      -2.510099      4.493695      7.936764
  H      -1.231436      3.495986      8.670785
  H      -6.019078      3.420260      7.566257
  H      -4.654148      4.309551      6.888425
  H      -4.493925      1.584272      8.287371
  H      -4.122673      3.143673      9.055648
  C      -4.304690     -3.691450      8.311440
  C      -5.692099     -3.452815      7.700167
  C      -5.638051     -3.268509      6.203916
  C      -5.951855     -4.315697      5.327806
  C      -5.897117     -4.134888      3.942885
  C      -5.508106     -2.908461      3.412033
  C      -5.162645     -1.856108      4.272254
  C      -4.741293     -0.554204      3.663139
  O      -5.029646     -0.239094      2.522858
  N      -3.955463      0.275733      4.498897
  C      -2.858163     -0.146842      5.097264
  C      -5.243702     -2.042330      5.657978
  C      -1.500781      8.037023      0.094102
  C      -1.235839      8.239685      1.591749
  C      -2.502829      8.180117      2.407045
  C      -3.280095      9.326235      2.623003
  C      -4.492918      9.255300      3.315241
  C      -4.949710      8.035103      3.805023
  C      -4.172489      6.881373      3.625658
  C      -4.700812      5.577787      4.142246
  O      -5.899043      5.321324      4.164422
  N      -3.758265      4.662226      4.613718
  C      -2.577840      4.967810      5.134756
  C      -2.959852      6.962796      2.924960
  C     -10.586875     -2.981107      6.693320
  C      -9.224497     -3.114537      5.997020
  C      -9.112615     -2.214938      4.791575
  C      -9.656281     -2.598304      3.557294
  C      -9.646808     -1.724400      2.467968
  C      -9.114397     -0.442465      2.601291
  C      -8.532787     -0.056160      3.814265
  C      -8.013273      1.342271      3.990531
  O      -8.691321      2.312023      3.638365
  N      -6.739212      1.429430      4.501932
  C      -6.442995      2.231624      5.474533
  C      -8.521035     -0.950115      4.891153
  H      -3.842873     -4.597579      7.893009
  H      -3.633296     -2.846040      8.097348
  H      -4.367275     -3.810415      9.402831
  H      -6.353206     -4.299597      7.940543
  H      -6.142787     -2.558445      8.160559
  H      -6.265212     -5.279323      5.737793
  H      -6.166063     -4.956568      3.276033
  H      -5.471235     -2.740466      2.335341
  H      -2.608041     -1.206617      5.276750
  H      -5.030348     -1.202994      6.323135
  H      -0.564750      8.085868     -0.480523
  H      -1.966011      7.059269     -0.091785
  H      -2.181061      8.809950     -0.290309
  H      -0.536112      7.467103      1.945679
  H      -0.745745      9.212562      1.748708
  H      -2.932016     10.287089      2.237101
  H      -5.084622     10.159332      3.470805
  H      -5.902312      7.956069      4.330639
  H      -2.272039      5.983978      5.433599
  H      -2.376074      6.056430      2.745969
  H     -11.405465     -3.242333      6.005923
  H     -10.753897     -1.946547      7.029645
  H     -10.651258     -3.642400      7.570948
  H      -9.068518     -4.162131      5.691900
  H      -8.422859     -2.869753      6.710233
  H     -10.096355     -3.593641      3.451678
  H     -10.068055     -2.042390      1.512340
  H      -9.130639      0.262745      1.769886
  H      -7.243054      2.670435      6.098963
  H      -8.058584     -0.643523      5.832944
  N      -3.360352      2.472011      3.104568
