91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.307272152389
  N      -3.223872     -4.175988      2.666464
  C      -2.860986     -5.042929      1.559165
  C      -2.287535     -6.312079      2.176524
  N      -3.195349     -6.716869      3.277056
  C      -4.328271     -7.466777      2.688066
  C      -5.562097     -7.174438      3.526826
  N      -5.503653     -5.772451      3.861430
  Mo     -3.845537     -4.909292      4.354532
  N      -2.131010     -5.391764      5.053970
  C      -1.540286     -6.715874      5.051029
  C      -2.462304     -7.600051      4.210111
  H      -1.464403     -7.114168      6.070807
  H      -0.522479     -6.685475      4.641132
  H      -3.191099     -8.100209      4.855363
  H      -1.896879     -8.356357      3.655105
  H      -6.462974     -7.423680      2.960131
  H      -5.577514     -7.776407      4.451098
  H      -4.507655     -7.108096      1.671301
  H      -4.112350     -8.537899      2.647246
  H      -2.106820     -4.582588      0.917307
  H      -3.749263     -5.261808      0.948170
  H      -1.297762     -6.089599      2.583759
  H      -2.190408     -7.117668      1.442184
  C      -3.011501     -2.759887      2.426226
  C      -4.050676     -2.188932      1.412157
  C      -3.851318     -0.729078      1.174737
  S      -3.542790     -0.124701     -0.327812
  C      -3.915871      0.203453      2.286605
  O      -4.042813     -0.111310      3.458146
  C      -1.589634     -2.416507      2.013379
  C      -1.143219     -2.420004      0.694671
  C       0.162161     -2.066756      0.390223
  C       1.046950     -1.692551      1.386508
  C       0.587355     -1.681555      2.689787
  F       1.421878     -1.301431      3.687308
  C      -0.705747     -2.040883      3.018302
  C      -6.777278     -5.142187      4.226050
  C      -7.014034     -3.882733      3.355520
  C      -6.688624     -2.606330      4.082171
  S      -7.760463     -1.309384      3.993249
  C      -5.510549     -2.491344      4.796899
  O      -4.644210     -3.440221      4.793692
  C      -7.976107     -6.069063      4.167901
  C      -8.444236     -6.643894      5.343154
  C      -9.549572     -7.478934      5.333971
  C     -10.208632     -7.757389      4.149379
  C      -9.730101     -7.181893      2.986695
  F     -10.354164     -7.442775      1.814170
  C      -8.628575     -6.347420      2.969708
  C      -1.620260     -4.500865      6.061928
  C      -2.298583     -4.840981      7.438076
  C      -3.764358     -4.892789      7.224851
  S      -4.462894     -6.286352      6.543055
  C      -4.632638     -3.818938      7.574195
  O      -5.809148     -3.735289      7.223540
  C      -0.102004     -4.494978      6.117335
  C       0.593259     -4.416376      4.912565
  C       1.975396     -4.396183      4.886846
  C       2.698482     -4.444046      6.066934
  C       1.995834     -4.514878      7.253274
  F       2.676210     -4.558091      8.423155
  C       0.612587     -4.547576      7.304445
  H      -3.186647     -2.245920      3.378206
  H      -5.040560     -2.323849      1.856916
  H      -4.003672     -2.722935      0.464398
  H      -3.823869      1.261268      1.993998
  H      -1.808982     -2.662766     -0.117405
  H       0.489229     -2.071310     -0.637385
  H       2.061684     -1.401459      1.167900
  H      -1.022157     -2.003275      4.049075
  H      -6.704724     -4.815121      5.277734
  H      -6.404728     -3.961716      2.445165
  H      -8.060114     -3.831342      3.053527
  H      -5.282287     -1.574158      5.333363
  H      -7.946140     -6.429871      6.276639
  H      -9.904058     -7.911258      6.256280
  H     -11.074541     -8.398824      4.117275
  H      -8.305612     -5.929437      2.029205
  H      -1.949626     -3.473932      5.801382
  H      -1.921516     -5.805025      7.787084
  H      -2.045763     -4.059427      8.154129
  H      -4.179505     -3.023955      8.197166
  H       0.038290     -4.355697      3.987584
  H       2.497013     -4.335594      3.945005
  H       3.776092     -4.422312      6.077446
  H       0.139770     -4.606808      8.270209
  N      -2.471966     -3.290190      4.523970
  N      -1.578341     -2.236826      4.634204
  H      -1.689760     -1.793631      5.535781
  H      -0.633905     -2.585628      4.544460
  H      -1.759860     -1.563264      3.902739
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.470136170230
  N      -3.225365     -4.148000      2.672499
  C      -2.859448     -5.018690      1.568527
  C      -2.280328     -6.285341      2.183758
  N      -3.188012     -6.698577      3.282238
  C      -4.318718     -7.449380      2.685461
  C      -5.557504     -7.167465      3.521043
  N      -5.511076     -5.764349      3.865643
  Mo     -3.850818     -4.894681      4.373181
  N      -2.126617     -5.395200      5.089291
  C      -1.539580     -6.720602      5.072740
  C      -2.455707     -7.588595      4.214624
  H      -1.473570     -7.134823      6.088139
  H      -0.517419     -6.686792      4.671827
  H      -3.189027     -8.093572      4.851443
  H      -1.888059     -8.340400      3.653856
  H      -6.454964     -7.418212      2.948473
  H      -5.573414     -7.776487      4.441695
  H      -4.496070     -7.085034      1.669670
  H      -4.097376     -8.520195      2.639143
  H      -2.106438     -4.555113      0.926194
  H      -3.747101     -5.243554      0.956437
  H      -1.290632     -6.061279      2.592019
  H      -2.181062     -7.089408      1.446351
  C      -3.010078     -2.731992      2.400373
  C      -4.053734     -2.178557      1.379523
  C      -3.854104     -0.723004      1.109231
  S      -3.556183     -0.144830     -0.405207
  C      -3.908858      0.233692      2.207496
  O      -4.025178     -0.063151      3.387668
  C      -1.585931     -2.398031      1.967490
  C      -1.162031     -2.431934      0.638679
  C       0.140451     -2.088709      0.300837
  C       1.047526     -1.694780      1.272591
  C       0.610536     -1.654699      2.584653
  F       1.468803     -1.258379      3.558912
  C      -0.678863     -2.002170      2.951789
  C      -6.795218     -5.140951      4.229643
  C      -7.039057     -3.875602      3.365972
  C      -6.728626     -2.595782      4.097155
  S      -7.807888     -1.306483      4.008571
  C      -5.550710     -2.471732      4.819182
  O      -4.672703     -3.416477      4.818463
  C      -7.987686     -6.076252      4.160373
  C      -8.456619     -6.663165      5.331899
  C      -9.558004     -7.507618      5.312329
  C     -10.211528     -7.783163      4.121017
  C      -9.731712     -7.195234      2.962787
  F     -10.350001     -7.452871      1.785554
  C      -8.634860     -6.351641      2.955964
  C      -1.606806     -4.532221      6.127508
  C      -2.294714     -4.899011      7.492391
  C      -3.762511     -4.927300      7.274134
  S      -4.458467     -6.298316      6.555100
  C      -4.619682     -3.844828      7.654696
  O      -5.795911     -3.728684      7.310266
  C      -0.090104     -4.532393      6.180260
  C       0.598329     -4.413668      4.971427
  C       1.982262     -4.387596      4.937060
  C       2.714369     -4.472837      6.112313
  C       2.018145     -4.584819      7.302656
  F       2.707213     -4.664073      8.465216
  C       0.633365     -4.621768      7.363046
  H      -3.184566     -2.197585      3.340501
  H      -5.041867     -2.303380      1.834436
  H      -4.014106     -2.732139      0.441322
  H      -3.817973      1.287923      1.895013
  H      -1.845050     -2.690949     -0.157204
  H       0.448056     -2.117159     -0.734690
  H       2.061237     -1.411954      1.027158
  H      -0.970374     -1.935392      4.000745
  H      -6.728994     -4.820795      5.284019
  H      -6.424976     -3.945575      2.456960
  H      -8.084981     -3.830867      3.059869
  H      -5.330807     -1.553458      5.359256
  H      -7.962267     -6.451170      6.270334
  H      -9.913886     -7.949776      6.232000
  H     -11.074408     -8.431827      4.080710
  H      -8.310668     -5.923876      2.017713
  H      -1.930011     -3.499312      5.902241
  H      -1.927743     -5.876286      7.818436
  H      -2.036615     -4.137195      8.230437
  H      -4.151787     -3.074424      8.300174
  H       0.035733     -4.323665      4.050379
  H       2.496853     -4.292033      3.991813
  H       3.794108     -4.447976      6.116685
  H       0.165867     -4.712197      8.331481
  N      -2.473310     -3.244934      4.564811
  N      -1.578098     -2.180564      4.664631
  H      -1.681764     -1.720407      5.574113
  H      -0.618767     -2.544156      4.576237
  H      -1.780412     -1.499875      3.914972
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.594142534641
  N      -3.226467     -4.120854      2.674825
  C      -2.857320     -4.998016      1.575861
  C      -2.272994     -6.260377      2.190814
  N      -3.180628     -6.680300      3.287903
  C      -4.310295     -7.432062      2.684389
  C      -5.554055     -7.159877      3.515579
  N      -5.521050     -5.754998      3.868897
  Mo     -3.856494     -4.877584      4.391905
  N      -2.118746     -5.397057      5.126801
  C      -1.538215     -6.725524      5.095763
  C      -2.449224     -7.576741      4.221102
  H      -1.482354     -7.155857      6.106680
  H      -0.511749     -6.690144      4.703155
  H      -3.187723     -8.085374      4.849700
  H      -1.880211     -8.324977      3.654647
  H      -6.447891     -7.412727      2.936784
  H      -5.570887     -7.775420      4.433031
  H      -4.485176     -7.062814      1.669148
  H      -4.083439     -8.502737      2.633751
  H      -2.105126     -4.533011      0.932298
  H      -3.744284     -5.230231      0.962511
  H      -1.283227     -6.034701      2.600348
  H      -2.171848     -7.064377      1.451487
  C      -3.009580     -2.705701      2.374964
  C      -4.058115     -2.168142      1.348639
  C      -3.860885     -0.716147      1.050503
  S      -3.574201     -0.155346     -0.470885
  C      -3.908342      0.261127      2.140681
  O      -4.013916     -0.024199      3.326844
  C      -1.581201     -2.382517      1.928488
  C      -1.176290     -2.446185      0.591343
  C       0.124343     -2.116211      0.223304
  C       1.052408     -1.706006      1.172206
  C       0.634871     -1.637078      2.490881
  F       1.514617     -1.227285      3.443523
  C      -0.651614     -1.969095      2.894644
  C      -6.817072     -5.138122      4.230873
  C      -7.068926     -3.867335      3.373193
  C      -6.776488     -2.581776      4.106487
  S      -7.863459     -1.301372      4.015372
  C      -5.599176     -2.445292      4.837076
  O      -4.708082     -3.383602      4.842316
  C      -8.001386     -6.083655      4.150394
  C      -8.470729     -6.682747      5.318558
  C      -9.566841     -7.538633      5.288340
  C     -10.213730     -7.813199      4.089861
  C      -9.732893     -7.212622      2.935929
  F     -10.344419     -7.468921      1.753875
  C      -8.642247     -6.357996      2.939377
  C      -1.590279     -4.560725      6.191478
  C      -2.289806     -4.950141      7.545513
  C      -3.759538     -4.955807      7.321284
  S      -4.453109     -6.304736      6.568878
  C      -4.604710     -3.861903      7.730271
  O      -5.778918     -3.713281      7.392560
  C      -0.074772     -4.567501      6.238244
  C       0.603698     -4.412266      5.023568
  C       1.989871     -4.381087      4.976374
  C       2.734232     -4.500450      6.144407
  C       2.047469     -4.649646      7.339704
  F       2.748533     -4.761577      8.491983
  C       0.660898     -4.690371      7.413503
  H      -3.186160     -2.154035      3.303616
  H      -5.044703     -2.285453      1.812962
  H      -4.025105     -2.738155      0.418448
  H      -3.820894      1.313465      1.813368
  H      -1.875168     -2.719040     -0.189586
  H       0.414458     -2.168404     -0.819037
  H       2.065831     -1.433791      0.902763
  H      -0.916209     -1.872833      3.950200
  H      -6.757907     -4.824249      5.287710
  H      -6.449201     -3.928523      2.465995
  H      -8.114594     -3.830831      3.061998
  H      -5.388545     -1.524576      5.379278
  H      -7.980736     -6.471134      6.262263
  H      -9.924022     -7.990797      6.205637
  H     -11.072604     -8.470741      4.041106
  H      -8.316974     -5.920299      2.003072
  H      -1.906432     -3.522254      5.997420
  H      -1.934098     -5.939575      7.851624
  H      -2.026253     -4.206389      8.303285
  H      -4.120894     -3.115822      8.395733
  H       0.030291     -4.296261      4.108251
  H       2.495110     -4.254136      4.026310
  H       3.816417     -4.473146      6.139970
  H       0.201011     -4.809166      8.385513
  N      -2.472143     -3.194333      4.609005
  N      -1.574351     -2.123257      4.699108
  H      -1.669225     -1.647013      5.613111
  H      -0.608295     -2.501338      4.615487
  H      -1.796062     -1.442392      3.941276
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.688741062545
  N      -3.227024     -4.095230      2.676600
  C      -2.855461     -4.979540      1.582816
  C      -2.266723     -6.237243      2.197309
  N      -3.174136     -6.662735      3.292908
  C      -4.303640     -7.414262      2.683578
  C      -5.551189     -7.150681      3.510355
  N      -5.530576     -5.744727      3.871645
  Mo     -3.861660     -4.860433      4.409947
  N      -2.110719     -5.398526      5.162574
  C      -1.537738     -6.730463      5.115839
  C      -2.444274     -7.565654      4.226089
  H      -1.491616     -7.176540      6.121877
  H      -0.507350     -6.694105      4.730754
  H      -3.187831     -8.077493      4.846800
  H      -1.874867     -8.310699      3.653773
  H      -6.441770     -7.404926      2.925739
  H      -5.569293     -7.772407      4.424639
  H      -4.475942     -7.040106      1.669001
  H      -4.072087     -8.484802      2.628747
  H      -2.103946     -4.514336      0.937644
  H      -3.741813     -5.218558      0.968454
  H      -1.276727     -6.010782      2.608085
  H      -2.164460     -7.041491      1.456473
  C      -3.008603     -2.681748      2.351977
  C      -4.062287     -2.158786      1.321862
  C      -3.867922     -0.710572      0.997992
  S      -3.593309     -0.164336     -0.528991
  C      -3.907365      0.285490      2.081216
  O      -4.001090      0.010547      3.271920
  C      -1.576478     -2.369588      1.893184
  C      -1.189722     -2.461253      0.549502
  C       0.108438     -2.145658      0.152955
  C       1.056243     -1.721743      1.079255
  C       0.657208     -1.625380      2.402859
  F       1.556157     -1.204170      3.334943
  C      -0.625517     -1.940963      2.840103
  C      -6.837390     -5.134185      4.231326
  C      -7.097197     -3.858702      3.379447
  C      -6.822838     -2.567990      4.114041
  S      -7.916238     -1.296003      4.020486
  C      -5.646668     -2.419590      4.852860
  O      -4.744017     -3.349513      4.865029
  C      -8.012976     -6.089866      4.140269
  C      -8.481859     -6.700647      5.305009
  C      -9.571887     -7.567768      5.264811
  C     -10.212257     -7.841756      4.060054
  C      -9.731305     -7.229024      2.910427
  F     -10.336448     -7.484464      1.724136
  C      -8.647620     -6.363477      2.923395
  C      -1.575495     -4.588420      6.250508
  C      -2.284199     -4.997690      7.594464
  C      -3.755017     -4.982486      7.364377
  S      -4.447451     -6.310259      6.581629
  C      -4.587517     -3.878510      7.799097
  O      -5.759237     -3.700432      7.468623
  C      -0.061162     -4.599899      6.290398
  C       0.608256     -4.410125      5.071769
  C       1.996197     -4.372617      5.013748
  C       2.751124     -4.522624      6.174392
  C       2.072886     -4.706868      7.372271
  F       2.784424     -4.848028      8.514494
  C       0.685037     -4.752700      7.457550
  H      -3.187344     -2.114431      3.269646
  H      -5.046733     -2.269387      1.795786
  H      -4.036456     -2.743540      0.399162
  H      -3.823746      1.335871      1.740289
  H      -1.903739     -2.745990     -0.216342
  H       0.381438     -2.220451     -0.894979
  H       2.068875     -1.460836      0.787704
  H      -0.862521     -1.816890      3.894163
  H      -6.784693     -4.826586      5.290463
  H      -6.472111     -3.911258      2.474088
  H      -8.142458     -3.830395      3.063118
  H      -5.444764     -1.496622      5.396981
  H      -7.996020     -6.489031      6.253387
  H      -9.929708     -8.029558      6.179688
  H     -11.066602     -8.508121      4.003407
  H      -8.321910     -5.916148      1.989149
  H      -1.886034     -3.545250      6.084585
  H      -1.938908     -5.997584      7.882950
  H      -2.015324     -4.270528      8.369455
  H      -4.088245     -3.156011      8.482189
  H       0.025227     -4.271370      4.162308
  H       2.493185     -4.216251      4.060709
  H       3.835349     -4.491962      6.162660
  H       0.231484     -4.898198      8.431589
  N      -2.470634     -3.144727      4.654304
  N      -1.570292     -2.068268      4.734491
  H      -1.656056     -1.577564      5.650126
  H      -0.601802     -2.458323      4.656668
  H      -1.810159     -1.390828      3.975047
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.760494442025
  N      -3.226419     -4.072426      2.678026
  C      -2.853814     -4.964168      1.589110
  C      -2.261458     -6.217030      2.202723
  N      -3.168457     -6.646827      3.296698
  C      -4.298944     -7.396517      2.682583
  C      -5.548817     -7.140030      3.505235
  N      -5.538907     -5.733598      3.873720
  Mo     -3.865704     -4.843893      4.426831
  N      -2.102675     -5.400645      5.195426
  C      -1.538104     -6.736541      5.132090
  C      -2.441034     -7.556607      4.228847
  H      -1.501074     -7.197943      6.132909
  H      -0.504258     -6.699847      4.753625
  H      -3.189582     -8.071177      4.841990
  H      -1.872434     -8.298984      3.650512
  H      -6.436664     -7.394666      2.915348
  H      -5.568717     -7.767804      4.416271
  H      -4.468503     -7.017313      1.668842
  H      -4.063872     -8.466999      2.623487
  H      -2.102811     -4.500214      0.941868
  H      -3.739758     -5.209003      0.973966
  H      -1.271029     -5.990807      2.614639
  H      -2.159022     -7.021841      1.460772
  C      -3.006271     -2.661218      2.332811
  C      -4.066296     -2.150912      1.301875
  C      -3.875760     -0.706353      0.955349
  S      -3.615795     -0.171186     -0.576279
  C      -3.905254      0.305724      2.033276
  O      -3.984476      0.039312      3.227288
  C      -1.571423     -2.359518      1.861796
  C      -1.203225     -2.476615      0.512844
  C       0.091271     -2.176174      0.088393
  C       1.058318     -1.741565      0.991772
  C       0.678377     -1.619614      2.319260
  F       1.595979     -1.189017      3.230448
  C      -0.599637     -1.918268      2.787547
  C      -6.855245     -5.129015      4.230897
  C      -7.122663     -3.849801      3.384639
  C      -6.865704     -2.555068      4.120275
  S      -7.963976     -1.290415      4.025103
  C      -5.690740     -2.396782      4.866762
  O      -4.778280     -3.317008      4.886062
  C      -8.021975     -6.094437      4.130148
  C      -8.489727     -6.716300      5.291350
  C      -9.573130     -7.594077      5.241906
  C     -10.207224     -7.867659      4.031814
  C      -9.726934     -7.243417      2.886508
  F     -10.326189     -7.498227      1.696556
  C      -8.650670     -6.367400      2.908242
  C      -1.563658     -4.615263      6.301946
  C      -2.279729     -5.040195      7.637990
  C      -3.749761     -5.007562      7.402050
  S      -4.441718     -6.315450      6.593078
  C      -4.569877     -3.893940      7.858623
  O      -5.738201     -3.689958      7.535209
  C      -0.050311     -4.628782      6.335791
  C       0.611774     -4.408006      5.115413
  C       2.000917     -4.362081      5.049831
  C       2.764037     -4.536983      6.203965
  C       2.092677     -4.752756      7.402078
  F       2.812426     -4.917654      8.535675
  C       0.704054     -4.805732      7.495612
  H      -3.186736     -2.080575      3.240741
  H      -5.047537     -2.256130      1.786573
  H      -4.049109     -2.748047      0.385630
  H      -3.826384      1.354333      1.680443
  H      -1.932312     -2.771043     -0.237370
  H       0.346531     -2.271849     -0.964278
  H       2.069426     -1.492383      0.679131
  H      -0.808474     -1.768573      3.834418
  H      -6.808239     -4.827625      5.292125
  H      -6.492720     -3.893892      2.481041
  H      -8.167345     -3.829317      3.063162
  H      -5.496523     -1.472019      5.412934
  H      -8.007763     -6.504505      6.243781
  H      -9.931045     -8.064999      6.154306
  H     -11.056719     -8.542495      3.967862
  H      -8.325077     -5.910822      1.976199
  H      -1.871221     -3.568227      6.158775
  H      -1.943130     -6.048261      7.912242
  H      -2.006394     -4.326842      8.426822
  H      -4.056102     -3.193297      8.556395
  H       0.020895     -4.251625      4.211113
  H       2.491323     -4.179307      4.095597
  H       3.849876     -4.501334      6.187223
  H       0.254960     -4.975070      8.470157
  N      -2.467875     -3.097444      4.701112
  N      -1.564589     -2.017171      4.771418
  H      -1.640870     -1.514104      5.686119
  H      -0.597258     -2.416053      4.699695
  H      -1.820162     -1.344848      4.015039
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.814300663267
  N      -3.224653     -4.052525      2.678655
  C      -2.852669     -4.952076      1.594392
  C      -2.257332     -6.200002      2.207057
  N      -3.163855     -6.632705      3.299245
  C      -4.296382     -7.378943      2.681449
  C      -5.546981     -7.127605      3.500257
  N      -5.545732     -5.721243      3.874604
  Mo     -3.868649     -4.827601      4.442011
  N      -2.095174     -5.403356      5.225201
  C      -1.539991     -6.743446      5.144537
  C      -2.440125     -7.549592      4.229486
  H      -1.511575     -7.219376      6.139905
  H      -0.503072     -6.707073      4.772064
  H      -3.193734     -8.066251      4.835310
  H      -1.873516     -8.290002      3.645289
  H      -6.432623     -7.381737      2.905758
  H      -5.569412     -7.760940      4.408165
  H      -4.462886     -6.994831      1.668615
  H      -4.059068     -8.449454      2.618224
  H      -2.102063     -4.491047      0.944403
  H      -3.738367     -5.201739      0.978753
  H      -1.266351     -5.974932      2.620021
  H      -2.155591     -7.005854      1.464631
  C      -3.002599     -2.643764      2.316966
  C      -4.070643     -2.144141      1.288425
  C      -3.885658     -0.703021      0.921962
  S      -3.643859     -0.176191     -0.613798
  C      -3.903061      0.322956      1.995644
  O      -3.964405      0.064233      3.192079
  C      -1.566627     -2.351685      1.833088
  C      -1.217308     -2.491319      0.480031
  C       0.072456     -2.206697      0.028563
  C       1.058144     -1.764693      0.909208
  C       0.697490     -1.619163      2.239496
  F       1.632011     -1.181684      3.130838
  C      -0.574709     -1.900382      2.735411
  C      -6.870212     -5.122234      4.228811
  C      -7.144899     -3.840732      3.387375
  C      -6.904651     -2.542996      4.123619
  S      -8.006346     -1.284509      4.027280
  C      -5.731029     -2.376910      4.877268
  O      -4.810337     -3.286626      4.904051
  C      -8.027940     -6.097206      4.119820
  C      -8.493606     -6.729096      5.277735
  C      -9.569704     -7.617180      5.220406
  C     -10.197934     -7.891225      4.006142
  C      -9.719412     -7.256553      2.864755
  F     -10.313426     -7.511618      1.671894
  C      -8.651146     -6.370262      2.893924
  C      -1.554393     -4.641901      6.346819
  C      -2.275817     -5.079072      7.677122
  C      -3.743557     -5.031278      7.435127
  S      -4.436411     -6.319996      6.602607
  C      -4.551071     -3.908409      7.910013
  O      -5.715644     -3.681357      7.593357
  C      -0.041779     -4.655244      6.375525
  C       0.614913     -4.405972      5.155648
  C       2.004716     -4.349747      5.085976
  C       2.773573     -4.545103      6.234695
  C       2.107295     -4.790003      7.430819
  F       2.832953     -4.974563      8.557479
  C       0.718364     -4.851889      7.529150
  H      -3.184156     -2.051927      3.216701
  H      -5.047274     -2.245446      1.785460
  H      -4.063882     -2.751456      0.377682
  H      -3.830562      1.369710      1.631771
  H      -1.961226     -2.793131     -0.254264
  H       0.309518     -2.321335     -1.027968
  H       2.067146     -1.527682      0.576872
  H      -0.755377     -1.726820      3.772728
  H      -6.828030     -4.826638      5.291823
  H      -6.510651     -3.876776      2.485462
  H      -8.188772     -3.827924      3.060602
  H      -5.543749     -1.450687      5.425556
  H      -8.015129     -6.516456      6.233357
  H      -9.926889     -8.096345      6.130516
  H     -11.042092     -8.574338      3.935949
  H      -8.326491     -5.905215      1.964022
  H      -1.861221     -3.590941      6.222203
  H      -1.946642     -6.093634      7.939921
  H      -1.998147     -4.377311      8.476874
  H      -4.023393     -3.228407      8.620140
  H       0.018023     -4.236249      4.255748
  H       2.490366     -4.142737      4.132356
  H       3.860546     -4.503028      6.215376
  H       0.271822     -5.043054      8.502618
  N      -2.464183     -3.051495      4.749369
  N      -1.557265     -1.968670      4.809644
  H      -1.623770     -1.455160      5.721225
  H      -0.593532     -2.373092      4.743560
  H      -1.825567     -1.301972      4.059155
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.854073752706
  N      -3.221003     -4.036524      2.678505
  C      -2.851664     -4.943741      1.598486
  C      -2.253782     -6.186939      2.210331
  N      -3.160029     -6.621263      3.300533
  C      -4.295567     -7.362330      2.679920
  C      -5.545369     -7.113830      3.495168
  N      -5.550296     -5.707955      3.873707
  Mo     -3.869864     -4.812172      4.455059
  N      -2.088196     -5.407292      5.251407
  C      -1.543120     -6.751546      5.153156
  C      -2.441421     -7.545410      4.228209
  H      -1.522589     -7.240728      6.143058
  H      -0.503546     -6.716119      4.786047
  H      -3.200177     -8.063464      4.826967
  H      -1.877847     -8.284672      3.638639
  H      -6.429312     -7.366573      2.896748
  H      -5.571358     -7.752061      4.400166
  H      -4.458487     -6.973564      1.668003
  H      -4.057433     -8.432980      2.612724
  H      -2.101433     -4.487145      0.944981
  H      -3.737254     -5.197016      0.982609
  H      -1.262273     -5.963751      2.624365
  H      -2.153363     -6.994315      1.468158
  C      -2.996980     -2.630128      2.305193
  C      -4.075503     -2.138748      1.282973
  C      -3.898901     -0.700539      0.899829
  S      -3.679550     -0.179294     -0.639597
  C      -3.902758      0.337287      1.970161
  O      -3.942908      0.085907      3.168327
  C      -1.562263     -2.346401      1.806554
  C      -1.232794     -2.505028      0.449819
  C       0.051203     -2.236593     -0.028102
  C       1.055510     -1.790913      0.830050
  C       0.714896     -1.624174      2.162725
  F       1.665120     -1.182350      3.035352
  C      -0.550768     -1.887823      2.683194
  C      -6.881485     -5.113782      4.224431
  C      -7.162860     -3.831592      3.386710
  C      -6.938328     -2.531911      4.123454
  S      -8.042106     -1.278224      4.026264
  C      -5.766366     -2.360423      4.883984
  O      -4.838899     -3.259640      4.918325
  C      -8.030661     -6.097682      4.109055
  C      -8.493389     -6.738202      5.264170
  C      -9.561991     -7.635839      5.200687
  C     -10.185159     -7.911133      3.983483
  C      -9.709443     -7.267449      2.845353
  F     -10.299207     -7.523514      1.650424
  C      -8.649274     -6.371468      2.880312
  C      -1.547766     -4.668331      6.384666
  C      -2.272798     -5.114094      7.711711
  C      -3.736986     -5.053691      7.463085
  S      -4.431838     -6.324269      6.609405
  C      -4.532413     -3.921919      7.951490
  O      -5.693172     -3.675193      7.640292
  C      -0.035597     -4.678978      6.409615
  C       0.617820     -4.404025      5.192262
  C       2.007803     -4.335521      5.122262
  C       2.779819     -4.546370      6.267186
  C       2.116634     -4.817716      7.459437
  F       2.845747     -5.017537      8.581316
  C       0.727806     -4.890415      7.558807
  H      -3.178358     -2.029834      3.199049
  H      -5.045852     -2.238060      1.794101
  H      -4.081093     -2.753874      0.376659
  H      -3.839361      1.382035      1.595847
  H      -1.991546     -2.811611     -0.268279
  H       0.269193     -2.367751     -1.087810
  H       2.061757     -1.566398      0.478988
  H      -0.703980     -1.691670      3.712852
  H      -6.843071     -4.823380      5.288887
  H      -6.524950     -3.860186      2.486384
  H      -8.205653     -3.826225      3.054426
  H      -5.585490     -1.433143      5.434624
  H      -8.017761     -6.524162      6.221992
  H      -9.917654     -8.122040      6.108831
  H     -11.023806     -8.601957      3.908393
  H      -8.326388     -5.898994      1.952375
  H      -1.856192     -3.613772      6.274024
  H      -1.949663     -6.133469      7.966256
  H      -1.990916     -4.421242      8.519138
  H      -3.992192     -3.260476      8.671545
  H       0.016883     -4.225885      4.295541
  H       2.490774     -4.106917      4.170958
  H       3.867404     -4.496346      6.247886
  H       0.281846     -5.101192      8.529714
  N      -2.459201     -3.007288      4.800270
  N      -1.547800     -1.923090      4.850563
  H      -1.604362     -1.400925      5.757463
  H      -0.588290     -2.329914      4.788931
  H      -1.825734     -1.260908      4.106601
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.883212877993
  N      -3.214649     -4.026128      2.677322
  C      -2.850197     -4.940228      1.600923
  C      -2.250071     -6.179256      2.212479
  N      -3.156634     -6.614040      3.300564
  C      -4.295967     -7.348387      2.677739
  C      -5.543783     -7.099950      3.489729
  N      -5.552024     -5.694636      3.870140
  Mo     -3.868718     -4.798784      4.465025
  N      -2.081747     -5.413244      5.273043
  C      -1.546871     -6.761317      5.158079
  C      -2.444513     -7.545174      4.225640
  H      -1.532993     -7.261688      6.142986
  H      -0.505125     -6.727438      4.795546
  H      -3.208378     -8.063791      4.817838
  H      -1.884653     -8.284324      3.631763
  H      -6.426533     -7.350672      2.888160
  H      -5.574559     -7.742005      4.392332
  H      -4.454619     -6.955588      1.666572
  H      -4.058522     -8.419350      2.607004
  H      -2.100397     -4.489186      0.943120
  H      -3.735803     -5.195718      0.984990
  H      -1.258275     -5.958199      2.627797
  H      -2.151104     -6.988685      1.471416
  C      -2.988705     -2.621641      2.298144
  C      -4.080507     -2.134939      1.287059
  C      -3.914259     -0.698723      0.892583
  S      -3.721678     -0.178517     -0.649329
  C      -3.902019      0.346962      1.962005
  O      -3.917237      0.100341      3.160821
  C      -1.558659     -2.344129      1.781816
  C      -1.250741     -2.517175      0.421106
  C       0.026392     -2.264360     -0.082823
  C       1.049584     -1.818869      0.753268
  C       0.730447     -1.634032      2.088582
  F       1.696111     -1.189895      2.942761
  C      -0.528370     -1.880948      2.631355
  C      -6.888484     -5.103956      4.216847
  C      -7.175514     -3.822844      3.381130
  C      -6.965136     -2.522102      4.118410
  S      -8.069719     -1.271610      4.020144
  C      -5.795401     -2.347769      4.885855
  O      -4.862514     -3.237625      4.927560
  C      -8.030451     -6.095511      4.097735
  C      -8.489553     -6.742505      5.251067
  C      -9.551292     -7.648322      5.183904
  C     -10.170857     -7.925750      3.965143
  C      -9.698833     -7.275213      2.829077
  F     -10.285903     -7.533056      1.633135
  C      -8.646072     -6.370749      2.867489
  C      -1.543930     -4.693995      6.414380
  C      -2.271517     -5.144498      7.740760
  C      -3.731416     -5.074745      7.484877
  S      -4.428720     -6.328725      6.612258
  C      -4.516406     -3.934443      7.981059
  O      -5.673680     -3.672374      7.673538
  C      -0.032039     -4.698809      6.437554
  C       0.620207     -4.401232      5.224253
  C       2.009953     -4.318152      5.157835
  C       2.782603     -4.538718      6.301082
  C       2.120497     -4.833536      7.488103
  F       2.850578     -5.043545      8.607711
  C       0.732132     -4.919374      7.584681
  H      -3.167653     -2.016614      3.189241
  H      -5.042751     -2.234310      1.814166
  H      -4.100992     -2.754673      0.383533
  H      -3.850001      1.390220      1.579816
  H      -2.024460     -2.825745     -0.280656
  H       0.224234     -2.408693     -1.145317
  H       2.052269     -1.606510      0.383948
  H      -0.655357     -1.663330      3.657891
  H      -6.852544     -4.817609      5.282294
  H      -6.534638     -3.845096      2.482261
  H      -8.216941     -3.824457      3.043087
  H      -5.620522     -1.419858      5.439104
  H      -8.015685     -6.526464      6.209934
  H      -9.904743     -8.139720      6.090797
  H     -11.004417     -8.623190      3.887063
  H      -8.325760     -5.892472      1.940966
  H      -1.856466     -3.636337      6.312404
  H      -1.952648     -6.166938      7.990554
  H      -1.985818     -4.457277      8.552357
  H      -3.965883     -3.288207      8.708405
  H       0.017284     -4.220268      4.328860
  H       2.492400     -4.071022      4.210252
  H       3.870280     -4.478887      6.284397
  H       0.284904     -5.147354      8.551819
  N      -2.453072     -2.965955      4.854191
  N      -1.536389     -1.881716      4.894791
  H      -1.583422     -1.352686      5.796505
  H      -0.579723     -2.288034      4.835974
  H      -1.820888     -1.221707      4.156044
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.904746150384
  N      -3.205343     -4.022171      2.674653
  C      -2.847763     -4.941720      1.601034
  C      -2.245630     -6.177465      2.213005
  N      -3.153397     -6.612001      3.298936
  C      -4.296959     -7.338608      2.674239
  C      -5.542135     -7.087402      3.483490
  N      -5.550873     -5.682321      3.863002
  Mo     -3.865033     -4.788435      4.470590
  N      -2.076027     -5.421715      5.288701
  C      -1.550485     -6.772906      5.159229
  C      -2.448673     -7.549327      4.222043
  H      -1.541432     -7.281766      6.140113
  H      -0.507113     -6.740961      4.800231
  H      -3.217342     -8.067648      4.808543
  H      -1.892650     -8.289447      3.625384
  H      -6.424243     -7.335977      2.879734
  H      -5.578630     -7.731812      4.384529
  H      -4.450827     -6.942792      1.663499
  H      -4.061579     -8.410094      2.600675
  H      -2.098580     -4.496569      0.938323
  H      -3.733533     -5.197988      0.985203
  H      -1.254023     -5.958087      2.630013
  H      -2.147553     -6.989330      1.473820
  C      -2.977707     -2.618776      2.295340
  C      -4.085483     -2.131836      1.300827
  C      -3.929251     -0.696325      0.901991
  S      -3.767662     -0.171241     -0.640641
  C      -3.895408      0.351476      1.974176
  O      -3.880569      0.104709      3.172154
  C      -1.556344     -2.344990      1.758001
  C      -1.271470     -2.527290      0.392773
  C      -0.001923     -2.288567     -0.135873
  C       1.039954     -1.847000      0.679454
  C       0.743372     -1.647800      2.017858
  F       1.724235     -1.203241      2.853902
  C      -0.508751     -1.879507      2.580848
  C      -6.891166     -5.093416      4.205652
  C      -7.182625     -3.815066      3.369875
  C      -6.984065     -2.513879      4.107795
  S      -8.088268     -1.264844      4.007858
  C      -5.817162     -2.339154      4.882201
  O      -4.880186     -3.221881      4.930432
  C      -8.027898     -6.091000      4.086555
  C      -8.482266     -6.741675      5.239858
  C      -9.538368     -7.654068      5.172615
  C     -10.156779     -7.934854      3.954033
  C      -9.689736     -7.280234      2.818126
  F     -10.276545     -7.540942      1.622660
  C      -8.643155     -6.368774      2.856558
  C      -1.542872     -4.718284      6.434897
  C      -2.273150     -5.169855      7.762640
  C      -3.728712     -5.094418      7.499091
  S      -4.427905     -6.333818      6.609509
  C      -4.506150     -3.946201      7.997059
  O      -5.660646     -3.674067      7.691201
  C      -0.031294     -4.714048      6.459319
  C       0.622116     -4.396917      5.251296
  C       2.011282     -4.296959      5.192484
  C       2.781902     -4.521283      6.336626
  C       2.118614     -4.836564      7.517400
  F       2.846969     -5.051527      8.637484
  C       0.731001     -4.937959      7.607257
  H      -3.150683     -2.013296      3.187097
  H      -5.037711     -2.232715      1.845992
  H      -4.124448     -2.752313      0.398046
  H      -3.855442      1.394504      1.588673
  H      -2.059931     -2.835122     -0.293114
  H       0.175476     -2.442060     -1.200927
  H       2.038447     -1.645893      0.292573
  H      -0.611289     -1.641845      3.608516
  H      -6.855984     -4.809363      5.271552
  H      -6.539623     -3.832546      2.472173
  H      -8.222510     -3.822909      3.026132
  H      -5.647715     -1.411117      5.438280
  H      -8.008333     -6.522812      6.198353
  H      -9.888576     -8.148325      6.079549
  H     -10.986141     -8.637634      3.875735
  H      -8.326618     -5.886848      1.930317
  H      -1.861792     -3.658084      6.335853
  H      -1.956600     -6.193750      8.010984
  H      -1.984420     -4.484810      8.575133
  H      -3.948389     -3.310508      8.728954
  H       0.019587     -4.218589      4.354941
  H       2.495521     -4.034428      4.249733
  H       3.869195     -4.449684      6.325235
  H       0.280696     -5.180756      8.569675
  N      -2.447297     -2.928092      4.910431
  N      -1.524501     -1.845415      4.941117
  H      -1.562848     -1.310959      5.838042
  H      -0.568147     -2.248797      4.882925
  H      -1.812680     -1.184997      4.205572
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.921055581824
  N      -3.193383     -4.023652      2.670565
  C      -2.844072     -4.946760      1.598549
  C      -2.240192     -6.180457      2.211115
  N      -3.149996     -6.614821      3.294888
  C      -4.297967     -7.333141      2.668512
  C      -5.540303     -7.076855      3.475993
  N      -5.547178     -5.671458      3.852107
  Mo     -3.858742     -4.781523      4.470900
  N      -2.070908     -5.432716      5.297348
  C      -1.552993     -6.786114      5.156229
  C      -2.452864     -7.557338      4.216837
  H      -1.546516     -7.300764      6.134275
  H      -0.508561     -6.756101      4.799485
  H      -3.225742     -8.074671      4.798757
  H      -1.900371     -8.299272      3.618876
  H      -6.422442     -7.323565      2.871223
  H      -5.582699     -7.722118      4.376384
  H      -4.447049     -6.935343      1.657899
  H      -4.065809     -8.405361      2.592781
  H      -2.095928     -4.506910      0.930618
  H      -3.730342     -5.202410      0.983125
  H      -1.249340     -5.961810      2.630291
  H      -2.141962     -6.994684      1.474093
  C      -2.964816     -2.620196      2.296021
  C      -4.091133     -2.127539      1.323693
  C      -3.943719     -0.691367      0.926512
  S      -3.817362     -0.157001     -0.615391
  C      -3.881978      0.354081      2.003500
  O      -3.831780      0.103759      3.199286
  C      -1.556052     -2.348715      1.734170
  C      -1.295585     -2.535418      0.363959
  C      -0.033780     -2.309502     -0.187577
  C       1.026432     -1.875877      0.608788
  C       0.753147     -1.666250      1.950705
  F       1.749148     -1.223907      2.769195
  C      -0.492768     -1.883796      2.532079
  C      -6.889879     -5.082708      4.191506
  C      -7.184453     -3.808255      3.353951
  C      -6.994613     -2.507186      4.092914
  S      -8.097103     -1.257697      3.990825
  C      -5.830850     -2.334466      4.874061
  O      -4.891214     -3.212991      4.926890
  C      -8.023382     -6.084738      4.076529
  C      -8.471421     -6.736533      5.231768
  C      -9.523142     -7.654163      5.168313
  C     -10.143322     -7.939517      3.951721
  C      -9.682987     -7.283331      2.813923
  F     -10.272329     -7.548011      1.620577
  C      -8.641372     -6.366146      2.848650
  C      -1.544002     -4.740865      6.446190
  C      -2.278328     -5.190509      7.776145
  C      -3.729967     -5.112839      7.504829
  S      -4.429516     -6.339960      6.599971
  C      -4.503348     -3.957598      7.999396
  O      -5.656035     -3.680913      7.693453
  C      -0.033015     -4.725004      6.476309
  C       0.624884     -4.391158      5.275032
  C       2.013168     -4.272487      5.228498
  C       2.778266     -4.495303      6.376709
  C       2.110628     -4.828319      7.549947
  F       2.833721     -5.043582      8.673641
  C       0.723979     -4.947280      7.628447
  H      -3.127004     -2.018352      3.191782
  H      -5.031455     -2.230679      1.888956
  H      -4.152339     -2.745378      0.420108
  H      -3.854548      1.397889      1.618313
  H      -2.098573     -2.839536     -0.306853
  H       0.123514     -2.468074     -1.255128
  H       2.020452     -1.685465      0.205214
  H      -0.572788     -1.628420      3.562541
  H      -6.853477     -4.799011      5.257319
  H      -6.540185     -3.822559      2.456991
  H      -8.222787     -3.821161      3.004946
  H      -5.665668     -1.407012      5.433269
  H      -7.995227     -6.514097      6.188448
  H      -9.868716     -8.149174      6.076759
  H     -10.969408     -8.646599      3.876199
  H      -8.330155     -5.882622      1.921314
  H      -1.871013     -3.678355      6.344780
  H      -1.962406     -6.214601      8.025641
  H      -1.987721     -4.504631      8.587048
  H      -3.941624     -3.327135      8.733152
  H       0.026049     -4.219861      4.374986
  H       2.502079     -3.997314      4.291734
  H       3.864750     -4.410240      6.373937
  H       0.268310     -5.202758      8.585148
  N      -2.443431     -2.893759      4.968174
  N      -1.512802     -1.815033      4.987187
  H      -1.542658     -1.276080      5.880046
  H      -0.554805     -2.214409      4.926638
  H      -1.801777     -1.152219      4.253189
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.933982257765
  N      -3.179479     -4.029517      2.664908
  C      -2.838868     -4.954661      1.593474
  C      -2.233568     -6.187331      2.206611
  N      -3.145993     -6.621876      3.288228
  C      -4.298214     -7.332086      2.660433
  C      -5.537954     -7.069105      3.466997
  N      -5.541570     -5.662736      3.837440
  Mo     -3.850287     -4.778117      4.465393
  N      -2.066380     -5.445072      5.298871
  C      -1.553677     -6.799752      5.149459
  C      -2.455920     -7.568080      4.210078
  H      -1.547409     -7.317522      6.125965
  H      -0.508726     -6.771217      4.793613
  H      -3.232202     -8.083877      4.788768
  H      -1.906261     -8.312444      3.612267
  H      -6.420695     -7.314796      2.862397
  H      -5.585682     -7.713633      4.367769
  H      -4.442889     -6.933473      1.649606
  H      -4.070081     -8.405210      2.583429
  H      -2.092338     -4.519162      0.920275
  H      -3.726120     -5.208747      0.978982
  H      -1.244085     -5.968049      2.628448
  H      -2.133819     -7.003623      1.471809
  C      -2.951391     -2.624754      2.298536
  C      -4.098192     -2.120827      1.354521
  C      -3.956220     -0.682565      0.966190
  S      -3.868973     -0.132491     -0.572467
  C      -3.857560      0.353830      2.051385
  O      -3.765229      0.093509      3.242441
  C      -1.558291     -2.354916      1.708825
  C      -1.322924     -2.541884      0.333542
  C      -0.068454     -2.327743     -0.238456
  C       1.009368     -1.905846      0.541147
  C       0.759394     -1.689485      1.886770
  F       1.770234     -1.252322      2.688818
  C      -0.481032     -1.893472      2.484522
  C      -6.885423     -5.072813      4.174903
  C      -7.181929     -3.802889      3.334311
  C      -6.997386     -2.502379      4.074671
  S      -8.096540     -1.250454      3.969882
  C      -5.836642     -2.333707      4.861905
  O      -4.895924     -3.211036      4.916711
  C      -8.017539     -6.077666      4.068094
  C      -8.457430     -6.728295      5.227194
  C      -9.506037     -7.649885      5.171330
  C     -10.131126     -7.940752      3.958563
  C      -9.679392     -7.285230      2.816916
  F     -10.274243     -7.554773      1.627401
  C      -8.641516     -6.363589      2.844236
  C      -1.546892     -4.760413      6.448961
  C      -2.287369     -5.205825      7.780787
  C      -3.735698     -5.129065      7.501810
  S      -4.433412     -6.346787      6.583622
  C      -4.508500     -3.967916      7.989017
  O      -5.660497     -3.691997      7.681924
  C      -0.037039     -4.731389      6.489449
  C       0.629039     -4.383502      5.296449
  C       2.016069     -4.245181      5.266656
  C       2.771890     -4.462466      6.422012
  C       2.096495     -4.810736      7.586291
  F       2.810547     -5.022719      8.716546
  C       0.711051     -4.948327      7.648948
  H      -3.097617     -2.030080      3.201331
  H      -5.024658     -2.226306      1.941932
  H      -4.185725     -2.732364      0.448706
  H      -3.841500      1.400371      1.672718
  H      -2.139995     -2.839488     -0.323287
  H       0.069853     -2.487696     -1.308445
  H       1.998945     -1.725895      0.122068
  H      -0.541637     -1.623429      3.517332
  H      -6.845782     -4.787459      5.240072
  H      -6.537179     -3.815522      2.437620
  H      -8.218874     -3.819437      2.980836
  H      -5.673772     -1.407512      5.424279
  H      -7.976615     -6.501718      6.180641
  H      -9.845442     -8.143811      6.082743
  H     -10.954909     -8.651160      3.888783
  H      -8.337296     -5.880324      1.914401
  H      -1.882942     -3.695037      6.340897
  H      -1.970863     -6.229199      8.033401
  H      -1.996332     -4.516772      8.588484
  H      -3.945727     -3.337334      8.721945
  H       0.037653     -4.222081      4.390030
  H       2.512454     -3.959623      4.336985
  H       3.857139     -4.362903      6.431191
  H       0.247762     -5.214587      8.599019
  N      -2.444451     -2.862241      5.026166
  N      -1.503498     -1.790333      5.029790
  H      -1.524811     -1.247186      5.918853
  H      -0.543299     -2.185492      4.963880
  H      -1.790601     -1.124324      4.295869
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.944832995158
  N      -3.164854     -4.038629      2.658723
  C      -2.832637     -4.964577      1.586913
  C      -2.226090     -6.196878      2.200174
  N      -3.141169     -6.631989      3.279731
  C      -4.297283     -7.334728      2.650803
  C      -5.534971     -7.064359      3.456922
  N      -5.534843     -5.656607      3.820449
  Mo     -3.840294     -4.778015      4.455343
  N      -2.062199     -5.457265      5.294650
  C      -1.552065     -6.812445      5.140073
  C      -2.456945     -7.580145      4.202402
  H      -1.543812     -7.331034      6.116191
  H      -0.507123     -6.784600      4.783754
  H      -3.235657     -8.094096      4.779302
  H      -1.909270     -8.327204      3.605891
  H      -6.418722     -7.309937      2.853396
  H      -5.586992     -7.706973      4.358868
  H      -4.438099     -6.936176      1.639520
  H      -4.073666     -8.408862      2.573317
  H      -2.088449     -4.532165      0.908589
  H      -3.721524     -5.216520      0.974165
  H      -1.238413     -5.975637      2.624896
  H      -2.123640     -7.014706      1.467334
  C      -2.938952     -2.631826      2.302092
  C      -4.106760     -2.110781      1.392464
  C      -3.964023     -0.669184      1.020175
  S      -3.918343     -0.096503     -0.511924
  C      -3.817377      0.351041      2.116363
  O      -3.676302      0.074002      3.299243
  C      -1.563974     -2.364011      1.681479
  C      -1.354317     -2.548556      0.301458
  C      -0.106662     -2.345794     -0.288934
  C       0.988061     -1.938633      0.475606
  C       0.761316     -1.718265      1.824945
  F       1.786834     -1.289028      2.611435
  C      -0.474168     -1.908606      2.437532
  C      -6.878866     -5.064941      4.157563
  C      -7.176258     -3.799305      3.313870
  C      -6.993741     -2.499910      4.056215
  S      -8.087655     -1.243587      3.948493
  C      -5.835231     -2.336944      4.848249
  O      -4.895060     -3.215705      4.901794
  C      -8.010888     -6.071129      4.061042
  C      -8.441677     -6.719759      5.224743
  C      -9.488223     -7.644117      5.178177
  C     -10.120263     -7.940052      3.970211
  C      -9.678071     -7.286034      2.823997
  F     -10.280298     -7.560026      1.639221
  C      -8.642871     -6.361155      2.842240
  C      -1.550977     -4.775482      6.444813
  C      -2.299520     -5.214650      7.777553
  C      -3.745122     -5.141922      7.491165
  S      -4.438506     -6.354063      6.562701
  C      -4.520608     -3.976192      7.968079
  O      -5.673037     -3.705981      7.659295
  C      -0.043122     -4.732598      6.499340
  C       0.634092     -4.373745      5.315658
  C       2.019375     -4.215796      5.305736
  C       2.762822     -4.424328      6.470606
  C       2.076996     -4.785013      7.624969
  F       2.778877     -4.990724      8.764069
  C       0.693116     -4.941245      7.668567
  H      -3.063815     -2.047417      3.213837
  H      -5.017663     -2.217465      2.003595
  H      -4.224817     -2.712208      0.483315
  H      -3.809625      1.402293      1.750766
  H      -2.185185     -2.837524     -0.342019
  H       0.013841     -2.504532     -1.361248
  H       1.973267     -1.769394      0.041942
  H      -0.519238     -1.626886      3.471885
  H      -6.834538     -4.776749      5.221760
  H      -6.531517     -3.811108      2.417113
  H      -8.212051     -3.817871      2.956795
  H      -5.671935     -1.412580      5.413525
  H      -7.954764     -6.489491      6.174217
  H      -9.820673     -8.136298      6.093097
  H     -10.942568     -8.652845      3.907555
  H      -8.346526     -5.878887      1.909335
  H      -1.896383     -3.706131      6.326466
  H      -1.981495     -6.236526      8.035082
  H      -2.009759     -4.520496      8.580976
  H      -3.959203     -3.340461      8.697457
  H       0.053397     -4.223919      4.400799
  H       2.525203     -3.922050      4.383828
  H       3.846387     -4.309958      6.494164
  H       0.220601     -5.216123      8.611542
  N      -2.453142     -2.832503      5.085079
  N      -1.498195     -1.770456      5.067371
  H      -1.510298     -1.222669      5.952139
  H      -0.536221     -2.162161      4.993433
  H      -1.781634     -1.101276      4.332308
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.954387989163
  N      -3.149210     -4.049207      2.652871
  C      -2.824569     -4.975052      1.579725
  C      -2.217333     -6.207774      2.192189
  N      -3.135159     -6.643907      3.269500
  C      -4.294894     -7.339696      2.639536
  C      -5.531185     -7.061960      3.445421
  N      -5.527346     -5.652715      3.801825
  Mo     -3.828734     -4.780842      4.441781
  N      -2.057954     -5.468771      5.286367
  C      -1.548267     -6.823968      5.128830
  C      -2.455693     -7.592674      4.193663
  H      -1.536609     -7.341905      6.105275
  H      -0.503729     -6.796091      4.771031
  H      -3.236129     -8.104600      4.769826
  H      -1.909197     -8.342449      3.599261
  H      -6.416222     -7.308076      2.843606
  H      -5.586294     -7.702080      4.348974
  H      -4.432294     -6.941581      1.627725
  H      -4.076210     -8.414915      2.562034
  H      -2.083309     -4.544471      0.896769
  H      -3.715763     -5.224173      0.969438
  H      -1.231782     -5.983906      2.620151
  H      -2.111299     -7.026311      1.460642
  C      -2.927040     -2.639620      2.306600
  C      -4.115111     -2.098119      1.434479
  C      -3.969573     -0.652754      1.079328
  S      -3.965548     -0.058336     -0.445325
  C      -3.774085      0.352467      2.182266
  O      -3.584249      0.062288      3.355866
  C      -1.570912     -2.374007      1.654293
  C      -1.386511     -2.553427      0.270084
  C      -0.144892     -2.361743     -0.336301
  C       0.965734     -1.972389      0.415240
  C       0.761611     -1.751273      1.768342
  F       1.801616     -1.333247      2.540544
  C      -0.469558     -1.927879      2.394037
  C      -6.870694     -5.059276      4.140866
  C      -7.168429     -3.797019      3.295293
  C      -6.984611     -2.499522      4.040386
  S      -8.070846     -1.236714      3.930296
  C      -5.826749     -2.343981      4.835327
  O      -4.888923     -3.226398      4.883865
  C      -8.003672     -6.065367      4.056028
  C      -8.424171     -6.712016      5.224655
  C      -9.469674     -7.637915      5.188636
  C     -10.110925     -7.937614      3.986409
  C      -9.679397     -7.285146      2.835306
  F     -10.291124     -7.562358      1.656153
  C      -8.645811     -6.358271      2.843237
  C      -1.555790     -4.786808      6.436013
  C      -2.314315     -5.218279      7.768067
  C      -3.757629     -5.152201      7.474240
  S      -4.444275     -6.362400      6.538484
  C      -4.538475     -3.983318      7.939327
  O      -5.692317     -3.722793      7.628984
  C      -0.050913     -4.730400      6.506837
  C       0.639225     -4.363934      5.332815
  C       2.022348     -4.187843      5.344065
  C       2.751451     -4.385572      6.519726
  C       2.053610     -4.755451      7.663937
  F       2.741344     -4.952981      8.813111
  C       0.671642     -4.928968      7.687048
  H      -3.026560     -2.068222      3.228366
  H      -5.010059     -2.205354      2.068727
  H      -4.264334     -2.688001      0.522314
  H      -3.775887      1.407664      1.828609
  H      -2.230700     -2.831519     -0.360939
  H      -0.040622     -2.516634     -1.410865
  H       1.946811     -1.814099     -0.031787
  H      -0.503701     -1.638603      3.429445
  H      -6.820165     -4.767963      5.204014
  H      -6.524275     -3.808221      2.398003
  H      -8.203478     -3.815766      2.935895
  H      -5.659517     -1.421982      5.403069
  H      -7.929509     -6.479089      6.169464
  H      -9.794217     -8.128345      6.107313
  H     -10.932601     -8.651792      3.931925
  H      -8.358379     -5.877053      1.907007
  H      -1.910569     -3.711629      6.305164
  H      -1.994348     -6.238158      8.031740
  H      -2.027639     -4.517980      8.566950
  H      -3.980261     -3.338700      8.663002
  H       0.071371     -4.226572      4.408344
  H       2.538692     -3.888464      4.430019
  H       3.832986     -4.257278      6.558700
  H       0.189152     -5.210177      8.622970
  N      -2.470274     -2.804860      5.147152
  N      -1.496109     -1.756553      5.102238
  H      -1.497923     -1.204087      5.982288
  H      -0.533524     -2.146699      5.018101
  H      -1.774192     -1.083931      4.365591
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.963321589795
  N      -3.132805     -4.059144      2.646945
  C      -2.814658     -4.984004      1.571569
  C      -2.207579     -6.218023      2.182094
  N      -3.128161     -6.655588      3.256968
  C      -4.291532     -7.344940      2.626364
  C      -5.526942     -7.060505      3.432529
  N      -5.519853     -5.649851      3.782304
  Mo     -3.815841     -4.785388      4.425012
  N      -2.053291     -5.477951      5.275012
  C      -1.542487     -6.833086      5.115902
  C      -2.452285     -7.603880      4.183228
  H      -1.526757     -7.349748      6.092949
  H      -0.498664     -6.804719      4.755932
  H      -3.233928     -8.113689      4.759419
  H      -1.906290     -8.356269      3.591493
  H      -6.413623     -7.307639      2.833078
  H      -5.583587     -7.698206      4.337750
  H      -4.426159     -6.947293      1.614088
  H      -4.078014     -8.421276      2.549010
  H      -2.076713     -4.554027      0.884565
  H      -3.708886     -5.229522      0.964456
  H      -1.224306     -5.991481      2.613623
  H      -2.097497     -7.036319      1.450944
  C      -2.915670     -2.646400      2.311055
  C      -4.122264     -2.083994      1.477321
  C      -3.973829     -0.635215      1.138840
  S      -4.009283     -0.020625     -0.377852
  C      -3.733286      0.355862      2.245193
  O      -3.497535      0.054429      3.408295
  C      -1.578058     -2.383478      1.627626
  C      -1.418646     -2.555162      0.239726
  C      -0.182424     -2.375246     -0.381027
  C       0.943652     -2.007664      0.359035
  C       0.762176     -1.789643      1.716167
  F       1.817222     -1.387369      2.474992
  C      -0.464924     -1.951650      2.354023
  C      -6.861883     -5.055301      4.126055
  C      -7.160014     -3.795128      3.281103
  C      -6.971815     -2.500749      4.030243
  S      -8.047209     -1.229508      3.919404
  C      -5.811764     -2.354392      4.825605
  O      -4.878341     -3.241860      4.864309
  C      -7.996129     -6.060565      4.053351
  C      -8.404960     -6.706356      5.226676
  C      -9.449717     -7.633322      5.201599
  C     -10.101899     -7.935175      4.005731
  C      -9.682324     -7.283250      2.849977
  F     -10.305127     -7.562225      1.677042
  C      -8.650006     -6.354841      2.847198
  C      -1.561381     -4.793336      6.423635
  C      -2.332407     -5.215387      7.753471
  C      -3.773575     -5.159579      7.452373
  S      -4.450129     -6.371475      6.512216
  C      -4.563118     -3.989579      7.905421
  O      -5.719316     -3.742875      7.594248
  C      -0.060463     -4.724492      6.513164
  C       0.644071     -4.354477      5.348747
  C       2.024760     -4.162722      5.381676
  C       2.737851     -4.347659      6.569101
  C       2.026620     -4.722571      7.703419
  F       2.698601     -4.909962      8.863566
  C       0.646818     -4.911250      7.705332
  H      -2.987229     -2.089924      3.243681
  H      -5.001799     -2.191453      2.132702
  H      -4.301466     -2.661742      0.562672
  H      -3.745593      1.414601      1.903224
  H      -2.276071     -2.819541     -0.379425
  H      -0.093463     -2.523692     -1.457867
  H       1.920786     -1.861140     -0.100545
  H      -0.491695     -1.660250      3.390615
  H      -6.803924     -4.761417      5.188406
  H      -6.516939     -3.804968      2.382705
  H      -8.194776     -3.812166      2.920774
  H      -5.636292     -1.435087      5.394771
  H      -7.901259     -6.472017      6.166349
  H      -9.765266     -8.122860      6.123866
  H     -10.923235     -8.650330      3.959793
  H      -8.372576     -5.873943      1.907800
  H      -1.926279     -3.710082      6.279030
  H      -2.009704     -6.232698      8.024110
  H      -2.051051     -4.508233      8.547960
  H      -4.010022     -3.333086      8.621774
  H       0.090583     -4.230475      4.413972
  H       2.552631     -3.861205      4.475193
  H       3.817141     -4.207087      6.623959
  H       0.153662     -5.195903      8.634516
  N      -2.494788     -2.780188      5.212645
  N      -1.493592     -1.751799      5.135214
  H      -1.482223     -1.195223      6.010484
  H      -0.532606     -2.144259      5.038276
  H      -1.764020     -1.074871      4.397879
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.971257779099
  N      -3.119196     -4.066712      2.641259
  C      -2.806992     -4.990439      1.562668
  C      -2.200256     -6.225953      2.171239
  N      -3.122796     -6.665553      3.244081
  C      -4.288758     -7.350415      2.613042
  C      -5.523815     -7.061373      3.419068
  N      -5.515525     -5.649575      3.763041
  Mo     -3.805712     -4.790071      4.407418
  N      -2.049882     -5.481797      5.261262
  C      -1.536252     -6.836551      5.101521
  C      -2.448362     -7.611499      4.172784
  H      -1.514702     -7.350643      6.079724
  H      -0.493965     -6.807015      4.737393
  H      -3.229835     -8.119389      4.750473
  H      -1.901885     -8.366129      3.584176
  H      -6.411814     -7.310994      2.822188
  H      -5.580275     -7.696267      4.326248
  H      -4.421109     -6.953405      1.600294
  H      -4.079221     -8.427641      2.536113
  H      -2.072566     -4.560354      0.872024
  H      -3.704546     -5.232128      0.959338
  H      -1.219385     -5.996230      2.606407
  H      -2.085387     -7.043383      1.440028
  C      -2.906531     -2.650366      2.315147
  C      -4.127510     -2.064083      1.520242
  C      -3.968759     -0.612920      1.198892
  S      -4.040498      0.023459     -0.308174
  C      -3.675538      0.359934      2.307366
  O      -3.390662      0.042455      3.455709
  C      -1.585981     -2.390916      1.603075
  C      -1.449711     -2.551809      0.212028
  C      -0.217622     -2.384776     -0.420482
  C       0.922837     -2.043517      0.310589
  C       0.762752     -1.832780      1.671889
  F       1.832852     -1.451542      2.419133
  C      -0.460987     -1.979026      2.320020
  C      -6.855650     -5.056336      4.113847
  C      -7.155734     -3.796466      3.270165
  C      -6.962542     -2.504472      4.022252
  S      -8.028003     -1.225134      3.912519
  C      -5.800217     -2.367149      4.816915
  O      -4.870892     -3.260330      4.843446
  C      -7.990284     -6.061629      4.053226
  C      -8.385652     -6.708259      5.230742
  C      -9.428735     -7.637226      5.216488
  C     -10.092714     -7.940460      4.027381
  C      -9.686767     -7.287436      2.867500
  F     -10.321373     -7.567475      1.701065
  C      -8.656597     -6.356574      2.854120
  C      -1.565581     -4.792950      6.406952
  C      -2.352334     -5.199923      7.732238
  C      -3.792908     -5.157054      7.425104
  S      -4.461743     -6.376108      6.486893
  C      -4.590228     -3.986541      7.864388
  O      -5.748671     -3.753374      7.551027
  C      -0.068903     -4.715511      6.515226
  C       0.652177     -4.348196      5.359732
  C       2.030622     -4.145330      5.414401
  C       2.725807     -4.315528      6.614463
  C       1.999344     -4.689091      7.739586
  F       2.653925     -4.864249      8.911383
  C       0.621676     -4.888639      7.720161
  H      -2.947697     -2.110095      3.258769
  H      -4.992267     -2.168628      2.195287
  H      -4.338309     -2.627505      0.603238
  H      -3.692687      1.423072      1.980284
  H      -2.319586     -2.799262     -0.396833
  H      -0.142158     -2.524053     -1.499568
  H       1.896695     -1.909808     -0.159800
  H      -0.484490     -1.691122      3.358547
  H      -6.789337     -4.760720      5.175307
  H      -6.514338     -3.804303      2.370495
  H      -8.190714     -3.812119      2.910278
  H      -5.617469     -1.452125      5.390218
  H      -7.872167     -6.473188      6.164938
  H      -9.733862     -8.127242      6.141992
  H     -10.913005     -8.657297      3.989975
  H      -8.390491     -5.874788      1.911895
  H      -1.941059     -3.698841      6.246814
  H      -2.027212     -6.213957      8.012233
  H      -2.077018     -4.484511      8.521318
  H      -4.040604     -3.313955      8.568038
  H       0.114697     -4.238441      4.413949
  H       2.571636     -3.846809      4.515106
  H       3.802926     -4.165948      6.685354
  H       0.116726     -5.172068      8.643233
  N      -2.531036     -2.758010      5.281349
  N      -1.494431     -1.756960      5.168581
  H      -1.467418     -1.197149      6.039446
  H      -0.537920     -2.156621      5.057451
  H      -1.754486     -1.074481      4.431483
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.978055158947
  N      -3.107180     -4.073535      2.634429
  C      -2.801850     -4.996304      1.552027
  C      -2.196342     -6.233856      2.158526
  N      -3.119393     -6.675388      3.230966
  C      -4.288153     -7.357514      2.602089
  C      -5.522274     -7.064856      3.409382
  N      -5.513898     -5.651604      3.746486
  Mo     -3.796419     -4.796206      4.389535
  N      -2.045628     -5.482169      5.245578
  C      -1.527966     -6.836317      5.085647
  C      -2.443564     -7.616904      4.162619
  H      -1.498785     -7.347003      6.065300
  H      -0.488070     -6.805235      4.715022
  H      -3.223576     -8.122486      4.744031
  H      -1.896650     -8.373970      3.577422
  H      -6.411896     -7.318505      2.816249
  H      -5.576292     -7.696092      4.319351
  H      -4.420012     -6.961722      1.588819
  H      -4.081948     -8.435534      2.526100
  H      -2.071094     -4.566509      0.857330
  H      -3.703899     -5.233633      0.953927
  H      -1.217517     -6.001056      2.596593
  H      -2.077074     -7.050173      1.426933
  C      -2.897149     -2.653447      2.319182
  C      -4.129386     -2.041253      1.564310
  C      -3.957651     -0.588020      1.258430
  S      -4.065786      0.068918     -0.238246
  C      -3.609731      0.367544      2.364623
  O      -3.273971      0.035374      3.495540
  C      -1.591674     -2.396218      1.581871
  C      -1.477182     -2.540823      0.187785
  C      -0.248755     -2.385433     -0.455025
  C       0.905203     -2.074765      0.268762
  C       0.766082     -1.878581      1.634898
  F       1.851128     -1.522777      2.372068
  C      -0.453826     -2.010866      2.292632
  C      -6.852047     -5.060446      4.104852
  C      -7.155762     -3.800367      3.263555
  C      -6.958056     -2.511748      4.019611
  S      -8.013533     -1.224391      3.912380
  C      -5.792575     -2.384271      4.812081
  O      -4.866778     -3.282358      4.823171
  C      -7.986312     -6.066198      4.054846
  C      -8.368531     -6.714967      5.235594
  C      -9.409480     -7.646314      5.230591
  C     -10.084475     -7.949961      4.047693
  C      -9.691775     -7.294544      2.884705
  F     -10.337332     -7.574781      1.724230
  C      -8.664144     -6.360919      2.862231
  C      -1.569506     -4.787357      6.387261
  C      -2.372930     -5.173052      7.706343
  C      -3.812845     -5.145276      7.391255
  S      -4.473061     -6.378715      6.463321
  C      -4.618199     -3.973948      7.812360
  O      -5.780933     -3.758595      7.500739
  C      -0.078542     -4.701214      6.514272
  C       0.659667     -4.344128      5.365762
  C       2.036091     -4.134344      5.440243
  C       2.712792     -4.285216      6.653363
  C       1.970381     -4.649039      7.771540
  F       2.607282     -4.807538      8.955106
  C       0.594710     -4.856027      7.732506
  H      -2.905474     -2.132049      3.273495
  H      -4.979761     -2.142248      2.257790
  H      -4.372071     -2.588643      0.645303
  H      -3.633976      1.434746      2.052358
  H      -2.358811     -2.767963     -0.412271
  H      -0.185950     -2.510746     -1.536635
  H       1.875825     -1.952511     -0.211413
  H      -0.476211     -1.733905      3.335163
  H      -6.778152     -4.763102      5.165412
  H      -6.515616     -3.804432      2.362911
  H      -8.191167     -3.815157      2.904708
  H      -5.601479     -1.474125      5.389963
  H      -7.845969     -6.479795      6.164702
  H      -9.704494     -8.137830      6.158574
  H     -10.903366     -8.668737      4.017657
  H      -8.408981     -5.877268      1.917931
  H      -1.959807     -3.679096      6.207548
  H      -2.046004     -6.182670      8.001119
  H      -2.106356     -4.446610      8.488268
  H      -4.072946     -3.283332      8.501298
  H       0.138351     -4.251401      4.409038
  H       2.591059     -3.846167      4.546410
  H       3.787967     -4.129596      6.739000
  H       0.077587     -5.132716      8.650769
  N      -2.567039     -2.747352      5.351013
  N      -1.490620     -1.780314      5.205415
  H      -1.443670     -1.220130      6.073811
  H      -0.542578     -2.192548      5.076960
  H      -1.738870     -1.089451      4.470722
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.983904444360
  N      -3.095258     -4.078057      2.626918
  C      -2.798254     -4.999716      1.540300
  C      -2.195544     -6.240234      2.144795
  N      -3.118224     -6.683445      3.218115
  C      -4.289861     -7.363864      2.593388
  C      -5.522260     -7.068429      3.403156
  N      -5.514977     -5.653336      3.732323
  Mo     -3.787979     -4.801752      4.372207
  N      -2.041313     -5.480045      5.229810
  C      -1.518764     -6.833434      5.068785
  C      -2.439001     -7.619508      4.152557
  H      -1.480933     -7.341217      6.049404
  H      -0.481994     -6.800580      4.689911
  H      -3.216654     -8.122363      4.739212
  H      -1.892121     -8.379078      3.570477
  H      -6.413565     -7.327486      2.814622
  H      -5.572041     -7.695293      4.316485
  H      -4.422640     -6.969384      1.579684
  H      -4.086409     -8.442578      2.518428
  H      -2.070782     -4.570876      0.841284
  H      -3.705753     -5.231727      0.948530
  H      -1.218377     -6.005182      2.585358
  H      -2.072619     -7.055260      1.412536
  C      -2.884648     -2.654564      2.324576
  C      -4.124887     -2.016992      1.608722
  C      -3.942431     -0.561479      1.317600
  S      -4.084264      0.115048     -0.168078
  C      -3.549012      0.378602      2.420390
  O      -3.167192      0.033902      3.533384
  C      -1.592070     -2.399352      1.565349
  C      -1.499201     -2.523226      0.168467
  C      -0.274757     -2.378735     -0.484971
  C       0.892539     -2.102215      0.231290
  C       0.775123     -1.927164      1.602747
  F       1.875551     -1.600699      2.330006
  C      -0.439710     -2.047375      2.270803
  C      -6.851503     -5.065722      4.098118
  C      -7.161278     -3.805649      3.259500
  C      -6.960040     -2.520536      4.019538
  S      -8.006222     -1.225988      3.915809
  C      -5.790722     -2.402835      4.808798
  O      -4.867780     -3.304369      4.802943
  C      -7.983952     -6.073547      4.057784
  C      -8.352661     -6.725613      5.241108
  C      -9.389895     -7.661016      5.244259
  C     -10.074675     -7.965629      4.067151
  C      -9.695593     -7.306673      2.901726
  F     -10.350813     -7.587760      1.746782
  C      -8.672062     -6.368668      2.871220
  C      -1.574375     -4.780043      6.366943
  C      -2.396065     -5.136748      7.677674
  C      -3.835266     -5.125191      7.353170
  S      -4.486471     -6.377603      6.441742
  C      -4.648158     -3.953299      7.755094
  O      -5.815023     -3.754886      7.445629
  C      -0.090946     -4.684461      6.511278
  C       0.663849     -4.345716      5.366747
  C       2.038429     -4.131622      5.457578
  C       2.697446     -4.256523      6.683396
  C       1.939742     -4.601761      7.797808
  F       2.560298     -4.737221      8.992435
  C       0.566009     -4.814296      7.742728
  H      -2.859636     -2.153478      3.289220
  H      -4.962397     -2.115954      2.317819
  H      -4.395311     -2.548151      0.687829
  H      -3.584473      1.449579      2.123371
  H      -2.392442     -2.726884     -0.423095
  H      -0.225098     -2.486006     -1.569209
  H       1.859462     -1.990081     -0.258798
  H      -0.460964     -1.788026      3.318763
  H      -6.770896     -4.766457      5.157761
  H      -6.522393     -3.804612      2.357935
  H      -8.197255     -3.821074      2.902320
  H      -5.591472     -1.497948      5.391933
  H      -7.821988     -6.489917      6.165434
  H      -9.674499     -8.154961      6.174210
  H     -10.890886     -8.687687      4.043643
  H      -8.427906     -5.882466      1.925327
  H      -1.989055     -3.650571      6.164041
  H      -2.068448     -6.140507      7.992307
  H      -2.140462     -4.397111      8.450910
  H      -4.104890     -3.241203      8.422803
  H       0.157712     -4.275019      4.399937
  H       2.607084     -3.861647      4.566907
  H       3.770936     -4.096647      6.781305
  H       0.037511     -5.078199      8.658147
  N      -2.592805     -2.750081      5.418944
  N      -1.475232     -1.822571      5.245958
  H      -1.403262     -1.265488      6.113743
  H      -0.539299     -2.252998      5.096803
  H      -1.710270     -1.121149      4.516022
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.989407724928
  N      -3.083585     -4.078997      2.619205
  C      -2.794843     -5.000218      1.529299
  C      -2.195725     -6.243153      2.133510
  N      -3.117769     -6.687269      3.208355
  C      -4.291066     -7.368135      2.588693
  C      -5.521806     -7.071221      3.400741
  N      -5.518265     -5.653689      3.719773
  Mo     -3.781906     -4.803049      4.356249
  N      -2.038870     -5.473809      5.217834
  C      -1.510004     -6.826141      5.054039
  C      -2.434382     -7.617035      4.145097
  H      -1.463854     -7.332222      6.034753
  H      -0.476583     -6.790906      4.666841
  H      -3.209209     -8.117210      4.737493
  H      -1.887408     -8.378755      3.565862
  H      -6.413970     -7.337966      2.816819
  H      -5.566195     -7.692507      4.318223
  H      -4.425505     -6.975804      1.574282
  H      -4.088683     -8.447283      2.515692
  H      -2.069942     -4.573375      0.825975
  H      -3.707784     -5.227326      0.944131
  H      -1.220214     -6.005636      2.576483
  H      -2.069113     -7.057476      1.401290
  C      -2.870073     -2.653175      2.329844
  C      -4.115646     -1.990715      1.653573
  C      -3.920153     -0.533356      1.378641
  S      -4.094723      0.166268     -0.093368
  C      -3.478164      0.385763      2.479281
  O      -3.048547      0.022379      3.569223
  C      -1.589182     -2.400717      1.550401
  C      -1.516715     -2.504293      0.151589
  C      -0.296350     -2.370050     -0.512442
  C       0.883085     -2.126056      0.195649
  C       0.786407     -1.972319      1.571777
  F       1.901061     -1.673981      2.289120
  C      -0.422663     -2.082064      2.249886
  C      -6.854400     -5.071424      4.090258
  C      -7.172439     -3.813235      3.251908
  C      -6.970699     -2.529852      4.013684
  S      -8.009652     -1.230271      3.910888
  C      -5.798233     -2.419060      4.800347
  O      -4.876982     -3.321782      4.779663
  C      -7.983095     -6.083561      4.059590
  C      -8.338633     -6.737589      5.245939
  C      -9.370276     -7.678956      5.257428
  C     -10.062674     -7.987798      4.085862
  C      -9.696960     -7.326573      2.917528
  F     -10.359752     -7.611743      1.767829
  C      -8.679321     -6.382410      2.878770
  C      -1.580416     -4.776559      6.352280
  C      -2.420193     -5.099919      7.651428
  C      -3.859367     -5.101155      7.318027
  S      -4.504127     -6.370756      6.423008
  C      -4.677106     -3.930429      7.708098
  O      -5.849703     -3.747615      7.408206
  C      -0.106631     -4.671479      6.507921
  C       0.661205     -4.353834      5.363718
  C       2.034128     -4.136357      5.464740
  C       2.679814     -4.233297      6.700310
  C       1.910884     -4.557084      7.814412
  F       2.520140     -4.667619      9.016783
  C       0.539034     -4.774322      7.749990
  H      -2.810904     -2.172002      3.303366
  H      -4.940077     -2.086945      2.378125
  H      -4.412939     -2.505039      0.731424
  H      -3.521330      1.461638      2.202415
  H      -2.420460     -2.685295     -0.431517
  H      -0.259260     -2.459637     -1.598767
  H       1.846038     -2.022916     -0.304136
  H      -0.444692     -1.840589      3.302348
  H      -6.769228     -4.768351      5.148577
  H      -6.534081     -3.807323      2.350006
  H      -8.208724     -3.832222      2.895880
  H      -5.592945     -1.518318      5.387817
  H      -7.801584     -6.498788      6.165687
  H      -9.644683     -8.174286      6.189694
  H     -10.874710     -8.714696      4.068999
  H      -8.445755     -5.894882      1.930936
  H      -2.034505     -3.612882      6.132239
  H      -2.094073     -6.098359      7.985087
  H      -2.175120     -4.349216      8.417576
  H      -4.134184     -3.202438      8.358024
  H       0.166772     -4.307070      4.389468
  H       2.613275     -3.887139      4.574814
  H       3.752009     -4.069907      6.805915
  H       0.002729     -5.023451      8.664837
  N      -2.611927     -2.753845      5.478989
  N      -1.457730     -1.865234      5.281878
  H      -1.359570     -1.310231      6.147747
  H      -0.535391     -2.315422      5.113075
  H      -1.679797     -1.156758      4.554890
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7535.995001942137
  N      -3.070555     -4.076178      2.614003
  C      -2.788217     -4.998240      1.522629
  C      -2.193635     -6.242575      2.128760
  N      -3.115869     -6.686797      3.204778
  C      -4.289759     -7.369523      2.590067
  C      -5.519484     -7.072323      3.403743
  N      -5.522084     -5.652032      3.711426
  Mo     -3.776626     -4.799781      4.344995
  N      -2.036393     -5.465571      5.213549
  C      -1.501253     -6.817444      5.045322
  C      -2.429131     -7.610763      4.143059
  H      -1.448685     -7.323319      6.025193
  H      -0.470958     -6.780297      4.650930
  H      -3.201596     -8.108120      4.740682
  H      -1.882237     -8.374352      3.566164
  H      -6.411395     -7.348126      2.823622
  H      -5.558374     -7.687442      4.325639
  H      -4.425953     -6.979922      1.574704
  H      -4.087063     -8.448882      2.519770
  H      -2.064867     -4.574450      0.815452
  H      -3.705809     -5.221701      0.943411
  H      -1.220049     -6.002438      2.574743
  H      -2.062961     -7.056848      1.397387
  C      -2.855153     -2.648646      2.334811
  C      -4.104999     -1.970119      1.690310
  C      -3.904847     -0.511123      1.422579
  S      -4.107736      0.199796     -0.040902
  C      -3.432840      0.399073      2.516877
  O      -2.967190      0.030001      3.590561
  C      -1.583227     -2.397351      1.539379
  C      -1.527473     -2.483353      0.139587
  C      -0.310692     -2.356803     -0.533595
  C       0.878347     -2.139860      0.166931
  C       0.799199     -2.005231      1.546747
  F       1.925572     -1.731346      2.255700
  C      -0.404152     -2.107253      2.233309
  C      -6.858997     -5.075909      4.082948
  C      -7.185685     -3.820523      3.242795
  C      -6.987212     -2.537302      4.004891
  S      -8.021173     -1.234808      3.900372
  C      -5.812901     -2.430969      4.790434
  O      -4.892532     -3.333061      4.757154
  C      -7.983086     -6.093322      4.060147
  C      -8.328102     -6.747959      5.249330
  C      -9.353725     -7.695613      5.267762
  C     -10.050692     -8.010385      4.100508
  C      -9.695728     -7.348255      2.929435
  F     -10.363192     -7.639134      1.783797
  C      -8.684330     -6.397699      2.883774
  C      -1.582906     -4.782160      6.347832
  C      -2.440509     -5.068258      7.631937
  C      -3.880807     -5.075621      7.289497
  S      -4.523075     -6.359134      6.409368
  C      -4.697559     -3.903651      7.669048
  O      -5.873215     -3.727310      7.373914
  C      -0.120555     -4.672381      6.506897
  C       0.654697     -4.370061      5.360167
  C       2.026571     -4.152156      5.463951
  C       2.666177     -4.230478      6.704375
  C       1.892191     -4.538277      7.820871
  F       2.497958     -4.632292      9.025655
  C       0.521583     -4.756831      7.755112
  H      -2.765771     -2.183968      3.314149
  H      -4.919599     -2.064103      2.426220
  H      -4.420818     -2.474648      0.768986
  H      -3.491681      1.477190      2.252623
  H      -2.439472     -2.645518     -0.436279
  H      -0.284026     -2.430994     -1.621352
  H       1.837668     -2.043670     -0.341124
  H      -0.429511     -1.881806      3.289154
  H      -6.772275     -4.767847      5.139792
  H      -6.546093     -3.809724      2.341853
  H      -8.221615     -3.845302      2.886247
  H      -5.603912     -1.533453      5.381915
  H      -7.787190     -6.504587      6.165497
  H      -9.620025     -8.191199      6.202219
  H     -10.858197     -8.742364      4.089173
  H      -8.459193     -5.909894      1.934111
  H      -2.090400     -3.565678      6.123576
  H      -2.120103     -6.063300      7.982219
  H      -2.203905     -4.310102      8.393710
  H      -4.151295     -3.162582      8.300502
  H       0.165685     -4.338864      4.382749
  H       2.610802     -3.918204      4.572928
  H       3.737950     -4.066114      6.812255
  H      -0.017509     -4.995381      8.670986
  N      -2.624023     -2.754415      5.532238
  N      -1.441862     -1.898808      5.315114
  H      -1.318474     -1.343309      6.177002
  H      -0.533138     -2.367689      5.129398
  H      -1.653720     -1.188556      4.587668
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.001055928030
  N      -3.057691     -4.065837      2.608682
  C      -2.776952     -4.993754      1.521923
  C      -2.188294     -6.236332      2.136898
  N      -3.112571     -6.677644      3.214051
  C      -4.284587     -7.366707      2.605195
  C      -5.514892     -7.068551      3.417575
  N      -5.526985     -5.644347      3.707365
  Mo     -3.775363     -4.782962      4.338357
  N      -2.036744     -5.449123      5.223701
  C      -1.496631     -6.801835      5.050402
  C      -2.425013     -7.594992      4.154389
  H      -1.441877     -7.308610      6.028858
  H      -0.468288     -6.763756      4.652334
  H      -3.196548     -8.088614      4.756199
  H      -1.878081     -8.360977      3.580673
  H      -6.404475     -7.357116      2.840180
  H      -5.549252     -7.673612      4.346208
  H      -4.422067     -6.984034      1.587213
  H      -4.079074     -8.446041      2.542201
  H      -2.053370     -4.575942      0.810991
  H      -3.697224     -5.217857      0.947218
  H      -1.217350     -5.992354      2.586848
  H      -2.052426     -7.053157      1.409491
  C      -2.844374     -2.638183      2.330461
  C      -4.099081     -1.959960      1.703447
  C      -3.904902     -0.499932      1.433409
  S      -4.131412      0.211230     -0.026833
  C      -3.415348      0.409186      2.519675
  O      -2.915836      0.040884      3.578540
  C      -1.576718     -2.384888      1.527011
  C      -1.527087     -2.465748      0.127680
  C      -0.310960     -2.341978     -0.548568
  C       0.881187     -2.134735      0.149107
  C       0.809272     -2.007243      1.530618
  F       1.940225     -1.744045      2.237051
  C      -0.391166     -2.105942      2.219033
  C      -6.867025     -5.075271      4.072094
  C      -7.202943     -3.826798      3.223263
  C      -7.015155     -2.538683      3.979556
  S      -8.048830     -1.237930      3.863360
  C      -5.841903     -2.428604      4.766961
  O      -4.920435     -3.326713      4.729152
  C      -7.984273     -6.100524      4.055848
  C      -8.323266     -6.751557      5.248742
  C      -9.340984     -7.707354      5.273015
  C     -10.036117     -8.034163      4.108094
  C      -9.687440     -7.375345      2.933338
  F     -10.353288     -7.677987      1.789770
  C      -8.684017     -6.416776      2.881791
  C      -1.576929     -4.803425      6.366019
  C      -2.449174     -5.060500      7.631693
  C      -3.893517     -5.052273      7.282456
  S      -4.544893     -6.334095      6.403266
  C      -4.697660     -3.879301      7.673151
  O      -5.877169     -3.696768      7.393636
  C      -0.125737     -4.701871      6.513707
  C       0.644030     -4.391060      5.361177
  C       2.016204     -4.178247      5.454714
  C       2.665368     -4.269322      6.689908
  C       1.899820     -4.584918      7.811673
  F       2.517992     -4.691345      9.008352
  C       0.529087     -4.798421      7.758155
  H      -2.734356     -2.179771      3.311095
  H      -4.908292     -2.052290      2.445458
  H      -4.421935     -2.465107      0.785005
  H      -3.491769      1.487831      2.262638
  H      -2.441516     -2.622839     -0.445623
  H      -0.287545     -2.410984     -1.636661
  H       1.839200     -2.041996     -0.361895
  H      -0.426332     -1.886600      3.275147
  H      -6.784274     -4.757723      5.126540
  H      -6.558937     -3.813627      2.325567
  H      -8.237213     -3.862408      2.863070
  H      -5.634363     -1.530344      5.358549
  H      -7.783556     -6.498809      6.162909
  H      -9.602706     -8.199867      6.210321
  H     -10.837509     -8.772771      4.101334
  H      -8.463435     -5.932250      1.929503
  H      -2.143694     -3.510817      6.181391
  H      -2.144640     -6.061079      7.982180
  H      -2.212053     -4.310285      8.401514
  H      -4.140622     -3.142196      8.299240
  H       0.147134     -4.349088      4.388540
  H       2.593585     -3.937916      4.560237
  H       3.738382     -4.109005      6.790475
  H      -0.002270     -5.044468      8.676446
  N      -2.641112     -2.728728      5.560926
  N      -1.447306     -1.890501      5.332366
  H      -1.306695     -1.325816      6.185243
  H      -0.548477     -2.373156      5.139489
  H      -1.654127     -1.190412      4.596347
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.006207308510
  N      -3.048518     -4.063922      2.606689
  C      -2.773660     -4.993549      1.520648
  C      -2.188220     -6.236645      2.136493
  N      -3.110879     -6.677522      3.215947
  C      -4.285152     -7.366324      2.610569
  C      -5.514119     -7.068669      3.425499
  N      -5.531869     -5.642438      3.708888
  Mo     -3.771112     -4.780932      4.338323
  N      -2.029431     -5.452387      5.230967
  C      -1.485509     -6.807574      5.045957
  C      -2.420171     -7.595488      4.153298
  H      -1.425849     -7.318821      6.021293
  H      -0.460368     -6.767764      4.641301
  H      -3.190090     -8.087182      4.758951
  H      -1.877394     -8.362484      3.576575
  H      -6.403201     -7.363156      2.850258
  H      -5.544216     -7.670411      4.356213
  H      -4.425367     -6.983136      1.592948
  H      -4.079456     -8.445635      2.546802
  H      -2.051777     -4.579487      0.805527
  H      -3.697962     -5.216573      0.951658
  H      -1.216857     -5.993595      2.586557
  H      -2.052976     -7.053519      1.408953
  C      -2.832487     -2.635156      2.330431
  C      -4.089386     -1.958212      1.709844
  C      -3.902902     -0.497102      1.437508
  S      -4.139786      0.212508     -0.021602
  C      -3.415443      0.414115      2.522876
  O      -2.901932      0.048529      3.575764
  C      -1.566675     -2.380140      1.523510
  C      -1.524043     -2.452116      0.123824
  C      -0.310480     -2.325730     -0.558080
  C       0.885409     -2.125715      0.134613
  C       0.821302     -2.010750      1.518116
  F       1.956297     -1.757049      2.223066
  C      -0.374408     -2.113229      2.211452
  C      -6.872407     -5.076071      4.072189
  C      -7.212782     -3.826856      3.223303
  C      -7.030386     -2.536905      3.979471
  S      -8.063326     -1.236316      3.861141
  C      -5.856811     -2.428579      4.767738
  O      -4.937639     -3.326213      4.720937
  C      -7.988543     -6.103074      4.055792
  C      -8.325710     -6.755985      5.248285
  C      -9.341667     -7.713784      5.272237
  C     -10.036955     -8.040816      4.107371
  C      -9.690241     -7.379992      2.933069
  F     -10.356464     -7.682604      1.789635
  C      -8.688657     -6.419450      2.881852
  C      -1.567030     -4.828370      6.377512
  C      -2.459856     -5.044188      7.628377
  C      -3.906886     -5.039487      7.268446
  S      -4.549494     -6.332512      6.397764
  C      -4.714819     -3.869796      7.651066
  O      -5.895396     -3.694361      7.368856
  C      -0.125827     -4.715401      6.522316
  C       0.640244     -4.411731      5.361584
  C       2.010128     -4.190465      5.444964
  C       2.665283     -4.263781      6.679263
  C       1.906221     -4.570638      7.809597
  F       2.533181     -4.659488      9.003043
  C       0.537066     -4.792509      7.767006
  H      -2.710614     -2.179853      3.310895
  H      -4.899009     -2.050260      2.451315
  H      -4.411082     -2.465860      0.792150
  H      -3.509285      1.492906      2.271514
  H      -2.441363     -2.603779     -0.446503
  H      -0.292822     -2.386293     -1.646898
  H       1.841195     -2.030867     -0.380496
  H      -0.409605     -1.905246      3.272131
  H      -6.791518     -4.757449      5.126584
  H      -6.566411     -3.809630      2.327276
  H      -8.246411     -3.867088      2.861780
  H      -5.649158     -1.533158      5.364488
  H      -7.785843     -6.502906      6.162399
  H      -9.602041     -8.207626      6.209362
  H     -10.837075     -8.780970      4.100341
  H      -8.469412     -5.933379      1.929913
  H      -2.213271     -3.453400      6.219675
  H      -2.165552     -6.043012      7.995863
  H      -2.231134     -4.289979      8.397338
  H      -4.160684     -3.123516      8.269215
  H       0.137891     -4.382860      4.391474
  H       2.580583     -3.957576      4.542943
  H       3.737893     -4.096384      6.773761
  H       0.010632     -5.032284      8.690180
  N      -2.621489     -2.740477      5.589183
  N      -1.426469     -1.913502      5.358554
  H      -1.263331     -1.346644      6.206560
  H      -0.538264     -2.412100      5.152846
  H      -1.635536     -1.217952      4.619529
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.011775359062
  N      -3.044523     -4.060681      2.600922
  C      -2.775474     -4.993645      1.518011
  C      -2.192588     -6.236293      2.135033
  N      -3.112961     -6.674266      3.217720
  C      -4.289863     -7.363527      2.616503
  C      -5.515666     -7.065190      3.435358
  N      -5.536341     -5.637319      3.709841
  Mo     -3.770940     -4.771680      4.337790
  N      -2.021732     -5.453485      5.240484
  C      -1.476312     -6.812391      5.035181
  C      -2.419271     -7.595259      4.148536
  H      -1.408122     -7.330310      6.006230
  H      -0.455427     -6.769009      4.621474
  H      -3.186289     -8.085842      4.759086
  H      -1.883569     -8.362993      3.565700
  H      -6.405383     -7.365277      2.863773
  H      -5.541356     -7.662202      4.368942
  H      -4.434148     -6.980115      1.599417
  H      -4.083902     -8.442713      2.551893
  H      -2.055894     -4.584508      0.797585
  H      -3.703581     -5.217513      0.955081
  H      -1.219613     -5.995995      2.583498
  H      -2.060399     -7.054300      1.408004
  C      -2.828423     -2.632228      2.318940
  C      -4.087212     -1.963323      1.692292
  C      -3.911282     -0.502457      1.410059
  S      -4.151949      0.196569     -0.052563
  C      -3.437115      0.419555      2.493587
  O      -2.918277      0.064546      3.546747
  C      -1.562119     -2.376755      1.514385
  C      -1.515513     -2.452139      0.114886
  C      -0.300918     -2.319647     -0.565233
  C       0.892413     -2.110816      0.128992
  C       0.824071     -1.996692      1.512648
  F       1.954947     -1.739528      2.224246
  C      -0.371889     -2.106789      2.203033
  C      -6.877207     -5.071232      4.070347
  C      -7.221434     -3.823293      3.218809
  C      -7.046297     -2.528478      3.971167
  S      -8.082229     -1.231084      3.844595
  C      -5.874462     -2.415683      4.762410
  O      -4.956283     -3.311979      4.713148
  C      -7.992613     -6.099640      4.054632
  C      -8.329471     -6.751869      5.247627
  C      -9.344251     -7.711107      5.272130
  C     -10.038667     -8.040263      4.107209
  C      -9.692286     -7.380034      2.932368
  F     -10.357799     -7.684490      1.788950
  C      -8.691896     -6.418243      2.880637
  C      -1.543160     -4.866195      6.402632
  C      -2.455877     -5.058056      7.642085
  C      -3.904160     -5.038488      7.269295
  S      -4.549096     -6.326404      6.392595
  C      -4.711439     -3.873110      7.659672
  O      -5.889978     -3.693625      7.371343
  C      -0.105798     -4.744671      6.544729
  C       0.651846     -4.419385      5.382156
  C       2.018913     -4.186381      5.456869
  C       2.683908     -4.268979      6.686284
  C       1.935241     -4.595450      7.818924
  F       2.573815     -4.691860      9.006293
  C       0.567833     -4.828274      7.784870
  H      -2.705727     -2.170762      3.295576
  H      -4.900525     -2.054276      2.429615
  H      -4.401290     -2.480087      0.776688
  H      -3.553231      1.496420      2.241947
  H      -2.430124     -2.610699     -0.458117
  H      -0.281213     -2.381743     -1.654055
  H       1.849120     -2.010940     -0.383798
  H      -0.409393     -1.899775      3.266862
  H      -6.798783     -4.750263      5.124361
  H      -6.572985     -3.805264      2.324173
  H      -8.254481     -3.869167      2.856261
  H      -5.671434     -1.520595      5.361916
  H      -7.790317     -6.496978      6.161886
  H      -9.604464     -8.204325      6.209771
  H     -10.837935     -8.781528      4.100475
  H      -8.472566     -5.932766      1.928258
  H      -2.250717     -3.400624      6.341239
  H      -2.181995     -6.063871      8.010637
  H      -2.227112     -4.315023      8.422268
  H      -4.157193     -3.127819      8.280142
  H       0.139970     -4.380763      4.417483
  H       2.577497     -3.935904      4.551145
  H       3.755620     -4.092737      6.776387
  H       0.048011     -5.083440      8.708289
  N      -2.614577     -2.734610      5.587335
  N      -1.433393     -1.906882      5.366483
  H      -1.258375     -1.332856      6.207674
  H      -0.550172     -2.416585      5.157052
  H      -1.649394     -1.221429      4.620005
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.016247225923
  N      -3.045663     -4.066066      2.598605
  C      -2.784676     -4.997555      1.513440
  C      -2.201543     -6.240760      2.126996
  N      -3.118181     -6.676633      3.213617
  C      -4.298268     -7.364035      2.616007
  C      -5.519861     -7.065064      3.440086
  N      -5.539947     -5.637048      3.706654
  Mo     -3.771670     -4.770757      4.336643
  N      -2.010418     -5.460132      5.233757
  C      -1.463378     -6.819504      5.007611
  C      -2.420057     -7.600874      4.135841
  H      -1.376488     -7.341342      5.974547
  H      -0.450635     -6.771060      4.575204
  H      -3.181118     -8.089325      4.755274
  H      -1.893494     -8.369658      3.546136
  H      -6.411677     -7.368831      2.873394
  H      -5.540998     -7.658328      4.376279
  H      -4.446243     -6.978113      1.600500
  H      -4.093438     -8.443253      2.548127
  H      -2.069519     -4.589726      0.787527
  H      -3.717392     -5.220038      0.957466
  H      -1.226508     -6.002697      2.572023
  H      -2.073151     -7.058827      1.399288
  C      -2.830245     -2.638461      2.317977
  C      -4.088186     -1.963387      1.699222
  C      -3.904047     -0.501006      1.434009
  S      -4.145825      0.221060     -0.016790
  C      -3.417444      0.399030      2.531157
  O      -2.882174      0.020920      3.568055
  C      -1.566405     -2.385867      1.509759
  C      -1.519657     -2.461558      0.110301
  C      -0.304476     -2.327842     -0.568586
  C       0.888656     -2.118458      0.126300
  C       0.819827     -2.006363      1.510133
  F       1.950750     -1.754725      2.223152
  C      -0.377373     -2.118436      2.199021
  C      -6.879123     -5.069002      4.065630
  C      -7.223489     -3.821652      3.212596
  C      -7.051022     -2.524635      3.963016
  S      -8.086365     -1.227361      3.830075
  C      -5.880501     -2.410834      4.757205
  O      -4.964631     -3.308767      4.706051
  C      -7.994299     -6.097713      4.050449
  C      -8.331050     -6.749057      5.243960
  C      -9.345209     -7.709007      5.269116
  C     -10.038991     -8.039945      4.104219
  C      -9.692579     -7.380714      2.928825
  F     -10.357469     -7.686907      1.785376
  C      -8.692809     -6.418238      2.876480
  C      -1.518025     -4.894630      6.393149
  C      -2.447248     -5.034735      7.624301
  C      -3.897117     -5.019395      7.250346
  S      -4.544271     -6.320115      6.389386
  C      -4.711150     -3.863919      7.651488
  O      -5.897911     -3.700595      7.386191
  C      -0.087333     -4.760607      6.540919
  C       0.677912     -4.444891      5.379808
  C       2.040884     -4.191425      5.464078
  C       2.695249     -4.246132      6.700787
  C       1.939865     -4.562878      7.831409
  F       2.568857     -4.630154      9.025969
  C       0.576340     -4.812042      7.789104
  H      -2.702510     -2.177590      3.294623
  H      -4.901051     -2.057394      2.436848
  H      -4.405574     -2.471276      0.779699
  H      -3.532810      1.481076      2.301961
  H      -2.433495     -2.621740     -0.463552
  H      -0.284059     -2.389771     -1.657410
  H       1.845657     -2.018309     -0.385912
  H      -0.419074     -1.913337      3.264753
  H      -6.801689     -4.747136      5.119515
  H      -6.573463     -3.804037      2.319224
  H      -8.255953     -3.869123      2.848672
  H      -5.680280     -1.517545      5.360109
  H      -7.792341     -6.492776      6.158133
  H      -9.605433     -8.201398      6.207209
  H     -10.837726     -8.781811      4.097897
  H      -8.473164     -5.933852      1.923621
  H      -2.263751     -3.340458      6.376537
  H      -2.187217     -6.037370      8.012965
  H      -2.215617     -4.285417      8.398200
  H      -4.158537     -3.114548      8.269276
  H       0.172469     -4.424319      4.411039
  H       2.602550     -3.944321      4.560300
  H       3.763403     -4.053465      6.799045
  H       0.049313     -5.056701      8.711400
  N      -2.635540     -2.734294      5.607853
  N      -1.456038     -1.914698      5.387042
  H      -1.269843     -1.334304      6.221666
  H      -0.577886     -2.435457      5.173845
  H      -1.674583     -1.236339      4.634595
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.020593206328
  N      -3.037959     -4.078749      2.600288
  C      -2.791202     -5.004588      1.507610
  C      -2.207212     -6.252204      2.111157
  N      -3.118693     -6.686650      3.202461
  C      -4.305248     -7.366868      2.608101
  C      -5.520151     -7.064692      3.440194
  N      -5.533758     -5.637496      3.704130
  Mo     -3.761662     -4.780747      4.336187
  N      -1.994494     -5.483198      5.227622
  C      -1.442386     -6.838343      4.973671
  C      -2.414449     -7.616612      4.113435
  H      -1.336592     -7.368385      5.933529
  H      -0.437802     -6.781067      4.523690
  H      -3.168026     -8.105748      4.740939
  H      -1.897420     -8.384314      3.514302
  H      -6.416655     -7.367035      2.880062
  H      -5.536560     -7.656916      4.377473
  H      -4.457610     -6.974923      1.595845
  H      -4.105145     -8.446507      2.533204
  H      -2.082699     -4.596354      0.775483
  H      -3.730605     -5.221153      0.960758
  H      -1.228345     -6.019579      2.549852
  H      -2.086432     -7.068361      1.380106
  C      -2.824063     -2.651384      2.321076
  C      -4.083615     -1.967429      1.714975
  C      -3.892673     -0.504127      1.459672
  S      -4.137325      0.230525      0.016112
  C      -3.402913      0.388157      2.562980
  O      -2.860176      0.004138      3.594089
  C      -1.568003     -2.403508      1.499439
  C      -1.530094     -2.475265      0.099288
  C      -0.318508     -2.339776     -0.584855
  C       0.879131     -2.132076      0.104061
  C       0.818315     -2.025884      1.488254
  F       1.952153     -1.775078      2.196215
  C      -0.376506     -2.142470      2.182130
  C      -6.867474     -5.062008      4.066942
  C      -7.206805     -3.812306      3.215525
  C      -7.029171     -2.516937      3.966689
  S      -8.059435     -1.214940      3.832420
  C      -5.860231     -2.410116      4.763693
  O      -4.948952     -3.313557      4.709525
  C      -7.988238     -6.084573      4.052922
  C      -8.325081     -6.735927      5.246254
  C      -9.344046     -7.690636      5.272728
  C     -10.042608     -8.016311      4.109245
  C      -9.695934     -7.357203      2.933997
  F     -10.365462     -7.658274      1.791756
  C      -8.691367     -6.399819      2.880422
  C      -1.512060     -4.937325      6.386577
  C      -2.450161     -5.042183      7.607601
  C      -3.894806     -5.036629      7.228209
  S      -4.535320     -6.343122      6.369232
  C      -4.721028     -3.894278      7.638077
  O      -5.911168     -3.742775      7.379133
  C      -0.090261     -4.761040      6.545997
  C       0.678166     -4.438645      5.389732
  C       2.033553     -4.148950      5.486718
  C       2.674151     -4.170189      6.731273
  C       1.913928     -4.490657      7.857223
  F       2.530087     -4.525496      9.059749
  C       0.558720     -4.776817      7.802367
  H      -2.688586     -2.190917      3.296963
  H      -4.892732     -2.063565      2.456726
  H      -4.409423     -2.467854      0.794411
  H      -3.526636      1.471412      2.345024
  H      -2.447011     -2.632709     -0.470196
  H      -0.304184     -2.397611     -1.673881
  H       1.832765     -2.028868     -0.413433
  H      -0.412721     -1.942238      3.248050
  H      -6.786476     -4.742622      5.121247
  H      -6.557226     -3.797215      2.322171
  H      -8.239625     -3.854771      2.852093
  H      -5.660404     -1.521961      5.373526
  H      -7.782672     -6.483813      6.159276
  H      -9.604273     -8.182964      6.210713
  H     -10.845092     -8.753947      4.103929
  H      -8.471680     -5.915422      1.927735
  H      -2.346631     -3.325298      6.435852
  H      -2.194354     -6.039538      8.013669
  H      -2.221790     -4.285868      8.375981
  H      -4.174457     -3.139252      8.254871
  H       0.181220     -4.440364      4.416311
  H       2.598514     -3.899873      4.586332
  H       3.735517     -3.948510      6.839826
  H       0.026505     -5.025140      8.720360
  N      -2.632482     -2.750946      5.626442
  N      -1.448807     -1.942241      5.396050
  H      -1.245808     -1.359914      6.224875
  H      -0.579330     -2.474017      5.172686
  H      -1.672384     -1.266378      4.642672
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.024692989690
  N      -3.037434     -4.095337      2.601290
  C      -2.805014     -5.016448      1.500726
  C      -2.219267     -6.269639      2.093069
  N      -3.123444     -6.703339      3.191540
  C      -4.316790     -7.378540      2.603398
  C      -5.524004     -7.070272      3.443305
  N      -5.529725     -5.643058      3.702436
  Mo     -3.757120     -4.797341      4.335542
  N      -1.977417     -5.508980      5.216004
  C      -1.418564     -6.856998      4.934742
  C      -2.408481     -7.635798      4.092389
  H      -1.287473     -7.393591      5.887196
  H      -0.425127     -6.789402      4.461900
  H      -3.150991     -8.125223      4.732231
  H      -1.901397     -8.403137      3.484520
  H      -6.425985     -7.371589      2.891703
  H      -5.535000     -7.659422      4.382979
  H      -4.474972     -6.982712      1.593841
  H      -4.120870     -8.458616      2.523475
  H      -2.103689     -4.607724      0.762794
  H      -3.750900     -5.226978      0.962906
  H      -1.235732     -6.041336      2.522534
  H      -2.107273     -7.084389      1.359207
  C      -2.820486     -2.665070      2.322844
  C      -4.079213     -1.974635      1.716603
  C      -3.888073     -0.509416      1.469779
  S      -4.123517      0.229948      0.027378
  C      -3.414951      0.386715      2.578666
  O      -2.874978      0.011047      3.614746
  C      -1.565460     -2.412420      1.497697
  C      -1.532045     -2.472648      0.096143
  C      -0.323614     -2.329590     -0.590016
  C       0.876906     -2.125372      0.096073
  C       0.821137     -2.031175      1.480497
  F       1.957370     -1.785207      2.184741
  C      -0.372842     -2.156311      2.177961
  C      -6.858116     -5.057496      4.068392
  C      -7.191218     -3.808276      3.214242
  C      -7.006937     -2.513793      3.962678
  S      -8.032695     -1.206697      3.824222
  C      -5.842006     -2.413529      4.763437
  O      -4.932491     -3.322210      4.713981
  C      -7.986566     -6.071973      4.058988
  C      -8.324267     -6.718841      5.254414
  C      -9.350008     -7.666118      5.285746
  C     -10.054586     -7.988734      4.125057
  C      -9.706905     -7.334117      2.947680
  F     -10.382209     -7.632291      1.807906
  C      -8.695651     -6.384061      2.889320
  C      -1.502868     -4.972543      6.371270
  C      -2.444131     -5.036225      7.586301
  C      -3.882786     -5.046369      7.200481
  S      -4.516122     -6.366437      6.351507
  C      -4.723968     -3.916717      7.611977
  O      -5.915815     -3.776922      7.353227
  C      -0.084935     -4.765177      6.543996
  C       0.690830     -4.432195      5.398233
  C       2.038388     -4.109984      5.516839
  C       2.658998     -4.109548      6.770729
  C       1.889026     -4.440231      7.886348
  F       2.485228     -4.453184      9.099031
  C       0.542285     -4.757848      7.810445
  H      -2.688331     -2.204017      3.298445
  H      -4.891103     -2.077182      2.454595
  H      -4.402200     -2.468899      0.791825
  H      -3.551350      1.468110      2.360425
  H      -2.450422     -2.625432     -0.472049
  H      -0.313382     -2.378169     -1.679512
  H       1.827957     -2.015795     -0.424687
  H      -0.398966     -1.964604      3.245556
  H      -6.772814     -4.738391      5.122156
  H      -6.542815     -3.800341      2.320362
  H      -8.224660     -3.845133      2.851863
  H      -5.644579     -1.528895      5.378573
  H      -7.777147     -6.469212      6.165253
  H      -9.610756     -8.154941      6.225371
  H     -10.862367     -8.720522      4.123487
  H      -8.475557     -5.903000      1.935093
  H      -2.388016     -3.285693      6.511434
  H      -2.190108     -6.024861      8.016709
  H      -2.216121     -4.268237      8.343394
  H      -4.184809     -3.151678      8.223937
  H       0.207183     -4.446096      4.418428
  H       2.611911     -3.851453      4.625548
  H       3.712977     -3.862362      6.894909
  H       0.000327     -5.014074      8.720115
  N      -2.627720     -2.784581      5.629341
  N      -1.441548     -1.981163      5.407213
  H      -1.227648     -1.404439      6.237220
  H      -0.578846     -2.520415      5.175398
  H      -1.669775     -1.300788      4.658133
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.028381035150
  N      -3.041896     -4.117370      2.607422
  C      -2.827310     -5.029188      1.493602
  C      -2.238633     -6.291790      2.067568
  N      -3.132145     -6.728149      3.175415
  C      -4.333316     -7.395795      2.594500
  C      -5.530286     -7.079222      3.443858
  N      -5.522846     -5.652549      3.702186
  Mo     -3.753602     -4.824307      4.336233
  N      -1.956435     -5.548808      5.192784
  C      -1.389882     -6.884204      4.881540
  C      -2.401809     -7.663915      4.062516
  H      -1.226480     -7.428270      5.824183
  H      -0.411680     -6.804583      4.379355
  H      -3.129011     -8.154925      4.717856
  H      -1.905781     -8.429660      3.443610
  H      -6.439874     -7.375395      2.902497
  H      -5.535757     -7.666758      4.385051
  H      -4.498088     -6.993494      1.588795
  H      -4.143524     -8.476389      2.506871
  H      -2.134819     -4.616400      0.750470
  H      -3.781152     -5.229587      0.966455
  H      -1.248954     -6.068358      2.483886
  H      -2.138234     -7.102942      1.328439
  C      -2.817953     -2.683426      2.334112
  C      -4.073393     -1.977377      1.731430
  C      -3.871513     -0.510501      1.506161
  S      -4.094862      0.248759      0.071901
  C      -3.398343      0.374791      2.624180
  O      -2.855929     -0.006279      3.657770
  C      -1.563737     -2.426635      1.504401
  C      -1.539262     -2.475363      0.101278
  C      -0.336621     -2.326815     -0.590344
  C       0.869406     -2.128525      0.089054
  C       0.824279     -2.045957      1.473518
  F       1.967355     -1.809561      2.166709
  C      -0.367282     -2.176845      2.179626
  C      -6.844703     -5.054572      4.073653
  C      -7.168001     -3.805734      3.216161
  C      -6.970524     -2.514976      3.962766
  S      -7.988005     -1.197953      3.821985
  C      -5.811007     -2.426252      4.765835
  O      -4.901143     -3.341936      4.727077
  C      -7.983162     -6.058387      4.069292
  C      -8.322202     -6.699834      5.267178
  C      -9.356815     -7.637164      5.304304
  C     -10.069011     -7.955175      4.147045
  C      -9.719663     -7.306152      2.967175
  F     -10.402129     -7.600145      1.830354
  C      -8.699621     -6.365893      2.903045
  C      -1.499161     -5.004751      6.338424
  C      -2.443398     -5.022137      7.546142
  C      -3.873004     -5.060550      7.153803
  S      -4.493362     -6.404100      6.324307
  C      -4.737073     -3.948675      7.563457
  O      -5.931843     -3.828976      7.307463
  C      -0.081346     -4.756515      6.530396
  C       0.709465     -4.424918      5.400009
  C       2.044697     -4.057920      5.552173
  C       2.629848     -4.015234      6.820218
  C       1.841316     -4.347348      7.921123
  F       2.401130     -4.318369      9.149946
  C       0.507431     -4.706345      7.812295
  H      -2.687750     -2.225393      3.311291
  H      -4.886875     -2.087893      2.466493
  H      -4.397948     -2.454918      0.798588
  H      -3.537749      1.457224      2.415151
  H      -2.461334     -2.622283     -0.462104
  H      -0.333964     -2.366459     -1.680255
  H       1.816015     -2.015191     -0.438823
  H      -0.375142     -1.991954      3.247267
  H      -6.753320     -4.737456      5.126957
  H      -6.522175     -3.808769      2.320863
  H      -8.202423     -3.832314      2.855412
  H      -5.614568     -1.545678      5.386340
  H      -7.769054     -6.453918      6.175317
  H      -9.618428     -8.121764      6.245841
  H     -10.883724     -8.679188      4.149985
  H      -8.478837     -5.889020      1.946927
  H      -2.425701     -3.248243      6.525145
  H      -2.183828     -5.994198      8.013170
  H      -2.217727     -4.233714      8.282654
  H      -4.210253     -3.168844      8.168867
  H       0.252053     -4.466184      4.408872
  H       2.636409     -3.795164      4.675399
  H       3.672059     -3.732703      6.966788
  H      -0.051806     -4.961770      8.711011
  N      -2.626111     -2.830384      5.627688
  N      -1.430420     -2.029672      5.416794
  H      -1.210763     -1.463415      6.251869
  H      -0.572547     -2.572374      5.178872
  H      -1.660086     -1.340334      4.674927
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.031549202417
  N      -3.046476     -4.126410      2.609272
  C      -2.846934     -5.032577      1.488120
  C      -2.255213     -6.299242      2.051937
  N      -3.136919     -6.738821      3.169596
  C      -4.341467     -7.407418      2.597294
  C      -5.533927     -7.084249      3.449582
  N      -5.522799     -5.655382      3.699770
  Mo     -3.756984     -4.835879      4.336625
  N      -1.945094     -5.562586      5.181914
  C      -1.363507     -6.884894      4.846489
  C      -2.389054     -7.670159      4.048267
  H      -1.170327     -7.433995      5.780218
  H      -0.399935     -6.790777      4.319455
  H      -3.101764     -8.162639      4.718011
  H      -1.899045     -8.434659      3.422618
  H      -6.446883     -7.382477      2.915150
  H      -5.535071     -7.664994      4.394993
  H      -4.511005     -7.005212      1.592086
  H      -4.152589     -8.488092      2.509279
  H      -2.160640     -4.617790      0.739734
  H      -3.807511     -5.226709      0.970899
  H      -1.261012     -6.075703      2.456946
  H      -2.162681     -7.109020      1.310570
  C      -2.813471     -2.693332      2.340372
  C      -4.064586     -1.970017      1.751897
  C      -3.840266     -0.504074      1.558051
  S      -4.055660      0.295115      0.143826
  C      -3.336326      0.338574      2.694104
  O      -2.777341     -0.084515      3.702384
  C      -1.562317     -2.441600      1.503554
  C      -1.553224     -2.484869      0.099933
  C      -0.358481     -2.337158     -0.604671
  C       0.855677     -2.144406      0.061677
  C       0.826838     -2.067710      1.446901
  F       1.978652     -1.836086      2.126570
  C      -0.356651     -2.199410      2.166905
  C      -6.842820     -5.051716      4.066410
  C      -7.159131     -3.806958      3.198943
  C      -6.956438     -2.513372      3.938825
  S      -7.968748     -1.190594      3.787959
  C      -5.804169     -2.428233      4.747187
  O      -4.892672     -3.346887      4.724146
  C      -7.984546     -6.052456      4.066322
  C      -8.326349     -6.685215      5.268115
  C      -9.363702     -7.619333      5.310544
  C     -10.075800     -7.943040      4.154775
  C      -9.723402     -7.302883      2.970947
  F     -10.405512     -7.602820      1.835299
  C      -8.700695     -6.365896      2.901443
  C      -1.503722     -5.014203      6.326535
  C      -2.450289     -5.012195      7.527414
  C      -3.881210     -5.070209      7.134902
  S      -4.486537     -6.425096      6.305432
  C      -4.765673     -3.988306      7.572680
  O      -5.968528     -3.895030      7.342899
  C      -0.088068     -4.737132      6.526333
  C       0.706103     -4.403269      5.400870
  C       2.033416     -4.010119      5.563935
  C       2.603835     -3.943555      6.836683
  C       1.811114     -4.279225      7.934239
  F       2.356954     -4.226731      9.167775
  C       0.485343     -4.664876      7.814222
  H      -2.674305     -2.239571      3.319383
  H      -4.874737     -2.083364      2.490194
  H      -4.400117     -2.425762      0.811976
  H      -3.457572      1.429271      2.518939
  H      -2.482183     -2.625625     -0.453469
  H      -0.368452     -2.372117     -1.694805
  H       1.796052     -2.030632     -0.477330
  H      -0.344235     -2.017469      3.235706
  H      -6.751791     -4.730402      5.118160
  H      -6.511686     -3.820604      2.305032
  H      -8.192806     -3.830920      2.835735
  H      -5.611201     -1.548120      5.369443
  H      -7.772981     -6.434920      6.174991
  H      -9.627446     -8.097041      6.255101
  H     -10.892590     -8.664793      4.161745
  H      -8.477703     -5.896175      1.942246
  H      -2.492772     -3.196183      6.608886
  H      -2.182610     -5.975413      8.011714
  H      -2.229244     -4.217198      8.258250
  H      -4.250482     -3.209033      8.190275
  H       0.260644     -4.462210      4.405462
  H       2.631497     -3.745709      4.691569
  H       3.639385     -3.640179      6.989853
  H      -0.077851     -4.923957      8.709456
  N      -2.607943     -2.860765      5.614985
  N      -1.405117     -2.065192      5.413900
  H      -1.174917     -1.505909      6.250176
  H      -0.553895     -2.616347      5.169634
  H      -1.634348     -1.372920      4.675452
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.035295976140
  N      -3.046317     -4.127601      2.625836
  C      -2.867174     -5.028158      1.497565
  C      -2.270167     -6.297840      2.047037
  N      -3.134905     -6.744318      3.176000
  C      -4.340560     -7.418791      2.613786
  C      -5.531386     -7.089061      3.465618
  N      -5.519224     -5.656968      3.702370
  Mo     -3.758235     -4.843006      4.351481
  N      -1.932864     -5.578164      5.184307
  C      -1.331435     -6.881655      4.817697
  C      -2.368598     -7.671739      4.043286
  H      -1.097963     -7.437480      5.737952
  H      -0.388439     -6.764653      4.259418
  H      -3.066597     -8.163755      4.728632
  H      -1.886919     -8.435911      3.410432
  H      -6.445741     -7.393048      2.936966
  H      -5.529126     -7.658920      4.417379
  H      -4.513473     -7.020959      1.607053
  H      -4.150920     -8.499558      2.529879
  H      -2.190683     -4.611434      0.740941
  H      -3.837098     -5.216691      0.995528
  H      -1.269965     -6.074533      2.437417
  H      -2.188426     -7.104421      1.301081
  C      -2.806480     -2.695639      2.361325
  C      -4.056592     -1.967379      1.777830
  C      -3.839293     -0.498738      1.589006
  S      -4.053424      0.300435      0.173990
  C      -3.360376      0.353123      2.728357
  O      -2.801145     -0.055602      3.742601
  C      -1.559067     -2.451572      1.518433
  C      -1.565784     -2.491955      0.114955
  C      -0.378898     -2.348139     -0.604317
  C       0.843160     -2.163111      0.048413
  C       0.830528     -2.089421      1.434641
  F       1.992600     -1.870024      2.101374
  C      -0.343854     -2.216553      2.169041
  C      -6.840072     -5.048517      4.056407
  C      -7.146045     -3.806242      3.179567
  C      -6.941219     -2.508945      3.915435
  S      -7.947431     -1.181028      3.753475
  C      -5.799849     -2.427498      4.736306
  O      -4.888280     -3.348349      4.730087
  C      -7.984463     -6.046295      4.055166
  C      -8.334452     -6.670767      5.259065
  C      -9.374972     -7.601404      5.301697
  C     -10.082079     -7.929940      4.144134
  C      -9.721404     -7.298026      2.958282
  F     -10.398519     -7.602859      1.820868
  C      -8.695437     -6.364641      2.888390
  C      -1.496955     -5.026893      6.327438
  C      -2.458605     -4.996762      7.512443
  C      -3.891930     -5.071532      7.111345
  S      -4.477329     -6.446096      6.297323
  C      -4.795270     -4.014856      7.564587
  O      -6.000834     -3.941228      7.340159
  C      -0.082134     -4.744472      6.527369
  C       0.715357     -4.432085      5.398054
  C       2.038278     -4.022930      5.557621
  C       2.601942     -3.922895      6.830831
  C       1.807679     -4.241057      7.933625
  F       2.347650     -4.153898      9.167117
  C       0.485184     -4.639808      7.816533
  H      -2.657658     -2.244436      3.339445
  H      -4.868718     -2.085668      2.513399
  H      -4.390101     -2.418202      0.834722
  H      -3.509476      1.440702      2.554542
  H      -2.502264     -2.625839     -0.427405
  H      -0.401710     -2.380542     -1.694415
  H       1.777931     -2.053423     -0.501285
  H      -0.313926     -2.034826      3.238370
  H      -6.754655     -4.721982      5.107048
  H      -6.493308     -3.828176      2.289693
  H      -8.177529     -3.828246      2.810013
  H      -5.612700     -1.549354      5.363496
  H      -7.784754     -6.416527      6.167157
  H      -9.645127     -8.072608      6.247785
  H     -10.901222     -8.649112      4.151177
  H      -8.466075     -5.901268      1.927538
  H      -2.528748     -3.149948      6.631153
  H      -2.190891     -5.944984      8.027984
  H      -2.247669     -4.187021      8.229870
  H      -4.290761     -3.225433      8.179434
  H       0.276099     -4.515747      4.401733
  H       2.637907     -3.770010      4.682314
  H       3.634105     -3.606155      6.980671
  H      -0.079652     -4.883025      8.715448
  N      -2.590130     -2.874736      5.623937
  N      -1.381943     -2.084486      5.429528
  H      -1.142967     -1.530002      6.265724
  H      -0.536160     -2.643835      5.180906
  H      -1.608515     -1.390630      4.691210
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.038885153819
  N      -3.053949     -4.119414      2.647302
  C      -2.895211     -5.019134      1.516494
  C      -2.291005     -6.288867      2.052684
  N      -3.136400     -6.746069      3.192037
  C      -4.339552     -7.430540      2.638225
  C      -5.533617     -7.098153      3.485284
  N      -5.525169     -5.662779      3.710922
  Mo     -3.771629     -4.845916      4.373536
  N      -1.929222     -5.585262      5.189641
  C      -1.306019     -6.867140      4.800796
  C      -2.350321     -7.665957      4.049947
  H      -1.029242     -7.422915      5.708869
  H      -0.386829     -6.729377      4.209458
  H      -3.035195     -8.156144      4.750033
  H      -1.874207     -8.430308      3.412668
  H      -6.446417     -7.409850      2.958857
  H      -5.529780     -7.656173      4.443231
  H      -4.513518     -7.038707      1.628661
  H      -4.146769     -8.510932      2.560631
  H      -2.227988     -4.602937      0.751137
  H      -3.874852     -5.204826      1.031304
  H      -1.284862     -6.062086      2.426226
  H      -2.219880     -7.092154      1.302266
  C      -2.799814     -2.690652      2.388016
  C      -4.042029     -1.952702      1.811275
  C      -3.814707     -0.484193      1.640654
  S      -4.022430      0.336081      0.235868
  C      -3.312251      0.340083      2.787234
  O      -2.724124     -0.095323      3.773329
  C      -1.553066     -2.454674      1.544308
  C      -1.578576     -2.492306      0.141702
  C      -0.402123     -2.353839     -0.598536
  C       0.828434     -2.176656      0.036304
  C       0.834982     -2.103660      1.423983
  F       2.008663     -1.891348      2.075747
  C      -0.324669     -2.224200      2.177792
  C      -6.850956     -5.056964      4.047804
  C      -7.150813     -3.820114      3.158082
  C      -6.948501     -2.515650      3.887309
  S      -7.952119     -1.185533      3.712164
  C      -5.817726     -2.430374      4.718258
  O      -4.902359     -3.349208      4.734891
  C      -7.992560     -6.056998      4.044329
  C      -8.350621     -6.672851      5.250517
  C      -9.390019     -7.604744      5.292193
  C     -10.087947     -7.942998      4.131742
  C      -9.719138     -7.319445      2.943821
  F     -10.387489     -7.633691      1.803824
  C      -8.693990     -6.385191      2.874481
  C      -1.499030     -5.016637      6.333129
  C      -2.476628     -4.974584      7.497848
  C      -3.913000     -5.063375      7.074439
  S      -4.475232     -6.466429      6.292783
  C      -4.829477     -4.016276      7.514366
  O      -6.034668     -3.958946      7.282571
  C      -0.081611     -4.740829      6.527839
  C       0.714462     -4.453512      5.389308
  C       2.039355     -4.047214      5.531491
  C       2.608884     -3.923363      6.800234
  C       1.818184     -4.214933      7.914685
  F       2.365394     -4.102036      9.142041
  C       0.492489     -4.610935      7.812320
  H      -2.638591     -2.244270      3.367019
  H      -4.855760     -2.070031      2.544810
  H      -4.377928     -2.390007      0.862570
  H      -3.452040      1.432903      2.637977
  H      -2.524455     -2.618753     -0.385817
  H      -0.441566     -2.384383     -1.688217
  H       1.756296     -2.071089     -0.525962
  H      -0.271863     -2.038285      3.247374
  H      -6.775002     -4.721472      5.096775
  H      -6.492055     -3.849141      2.272798
  H      -8.179816     -3.846271      2.782053
  H      -5.637340     -1.551630      5.347401
  H      -7.807812     -6.410597      6.160521
  H      -9.666611     -8.069332      6.239741
  H     -10.906189     -8.663254      4.138060
  H      -8.458022     -5.928377      1.912011
  H      -2.568912     -3.082932      6.600714
  H      -2.214178     -5.903493      8.051239
  H      -2.283807     -4.146125      8.198913
  H      -4.337751     -3.214284      8.124635
  H       0.273153     -4.551526      4.395497
  H       2.635712     -3.813432      4.647199
  H       3.643076     -3.607113      6.937423
  H      -0.068213     -4.832611      8.720124
  N      -2.563608     -2.877157      5.624371
  N      -1.352973     -2.087570      5.443900
  H      -1.111805     -1.540494      6.283342
  H      -0.509588     -2.653233      5.196084
  H      -1.570542     -1.391959      4.704909
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.042744963859
  N      -3.062144     -4.119007      2.661603
  C      -2.924435     -5.015889      1.525935
  C      -2.312247     -6.287561      2.046933
  N      -3.139728     -6.753603      3.196114
  C      -4.343949     -7.444191      2.651652
  C      -5.538097     -7.108013      3.498014
  N      -5.529451     -5.671325      3.718015
  Mo     -3.781832     -4.857539      4.387642
  N      -1.920630     -5.592867      5.183758
  C      -1.279673     -6.854664      4.772616
  C      -2.332789     -7.665797      4.043966
  H      -0.964018     -7.409438      5.668170
  H      -0.382863     -6.699141      4.152082
  H      -3.002832     -8.156311      4.757972
  H      -1.861868     -8.429218      3.401693
  H      -6.451529     -7.423089      2.975307
  H      -5.531747     -7.658236      4.460209
  H      -4.521108     -7.056612      1.640850
  H      -4.150268     -8.524530      2.577943
  H      -2.267604     -4.599390      0.751932
  H      -3.913170     -5.198088      1.057412
  H      -1.300611     -6.058660      2.403491
  H      -2.251917     -7.087561      1.292218
  C      -2.791745     -2.691745      2.408124
  C      -4.025304     -1.939092      1.835069
  C      -3.787874     -0.471085      1.670311
  S      -3.989433      0.354662      0.267463
  C      -3.282651      0.349514      2.817301
  O      -2.686777     -0.087475      3.798164
  C      -1.544154     -2.462462      1.562130
  C      -1.586772     -2.492023      0.159682
  C      -0.421022     -2.356606     -0.598846
  C       0.818389     -2.189842      0.019100
  C       0.843229     -2.124274      1.407155
  F       2.027715     -1.921148      2.044109
  C      -0.303572     -2.241886      2.179408
  C      -6.855858     -5.063800      4.045915
  C      -7.149547     -3.830804      3.147032
  C      -6.944879     -2.523030      3.870158
  S      -7.946032     -1.189401      3.686213
  C      -5.822240     -2.436976      4.706528
  O      -4.903641     -3.356536      4.742610
  C      -7.998471     -6.061906      4.042644
  C      -8.361135     -6.671476      5.250716
  C      -9.402469     -7.601058      5.293498
  C     -10.097764     -7.943102      4.132557
  C      -9.724212     -7.325718      2.942895
  F     -10.390234     -7.643581      1.802472
  C      -8.696925     -6.393974      2.872189
  C      -1.507496     -5.006962      6.324406
  C      -2.484521     -4.963774      7.478517
  C      -3.918145     -5.067006      7.038411
  S      -4.465458     -6.492649      6.281935
  C      -4.846363     -4.031998      7.476179
  O      -6.052678     -3.988557      7.246238
  C      -0.087942     -4.724655      6.524917
  C       0.712707     -4.437753      5.390608
  C       2.036697     -4.028313      5.537298
  C       2.598162     -3.898211      6.808481
  C       1.802139     -4.186859      7.920093
  F       2.341745     -4.066448      9.149214
  C       0.477597     -4.587539      7.811003
  H      -2.622458     -2.251340      3.388670
  H      -4.841531     -2.052290      2.566524
  H      -4.364753     -2.367281      0.883549
  H      -3.430814      1.442338      2.675968
  H      -2.540898     -2.608088     -0.354845
  H      -0.476852     -2.380795     -1.687895
  H       1.739241     -2.086051     -0.554831
  H      -0.222546     -2.058477      3.249409
  H      -6.783642     -4.723024      5.093549
  H      -6.488871     -3.867784      2.263851
  H      -8.177737     -3.856791      2.768800
  H      -5.646359     -1.557976      5.336555
  H      -7.820149     -6.406097      6.160828
  H      -9.682677     -8.060872      6.242281
  H     -10.917534     -8.661557      4.139791
  H      -8.457269     -5.941820      1.908459
  H      -2.627714     -3.006462      6.638350
  H      -2.222596     -5.878193      8.056090
  H      -2.304658     -4.123729      8.169758
  H      -4.363613     -3.220448      8.082426
  H       0.279475     -4.538740      4.393857
  H       2.637972     -3.796766      4.655600
  H       3.630849     -3.578604      6.949413
  H      -0.087237     -4.807434      8.716919
  N      -2.524704     -2.907027      5.609527
  N      -1.312864     -2.119889      5.449515
  H      -1.067287     -1.585987      6.295477
  H      -0.474457     -2.692775      5.198678
  H      -1.523522     -1.417544      4.714124
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.045969013729
  N      -3.072871     -4.120783      2.678762
  C      -2.958688     -5.015727      1.539307
  C      -2.333744     -6.288082      2.043923
  N      -3.141663     -6.762965      3.203267
  C      -4.346190     -7.462099      2.667909
  C      -5.541827     -7.120532      3.510253
  N      -5.532361     -5.683603      3.723169
  Mo     -3.792542     -4.869180      4.405698
  N      -1.913345     -5.598599      5.177838
  C      -1.256345     -6.840399      4.746327
  C      -2.314930     -7.667964      4.040723
  H      -0.899650     -7.391596      5.628530
  H      -0.383111     -6.666562      4.096604
  H      -2.970582     -8.158316      4.767954
  H      -1.849696     -8.431372      3.394628
  H      -6.454411     -7.439397      2.988881
  H      -5.535903     -7.662732      4.477294
  H      -4.525253     -7.083200      1.654501
  H      -4.151428     -8.542789      2.602370
  H      -2.316907     -4.598660      0.753334
  H      -3.956811     -5.198399      1.091192
  H      -1.316568     -6.057476      2.381899
  H      -2.284778     -7.084435      1.284453
  C      -2.786644     -2.695854      2.429596
  C      -4.013988     -1.928230      1.859917
  C      -3.773498     -0.459280      1.692654
  S      -3.976361      0.360259      0.286956
  C      -3.273109      0.375632      2.832572
  O      -2.670016     -0.044203      3.816712
  C      -1.539643     -2.474487      1.578285
  C      -1.593379     -2.503139      0.175666
  C      -0.435833     -2.371523     -0.595994
  C       0.809846     -2.208362      0.009371
  C       0.846167     -2.143023      1.396683
  F       2.037706     -1.942896      2.022620
  C      -0.292316     -2.257375      2.182549
  C      -6.858559     -5.069667      4.038145
  C      -7.140963     -3.840061      3.130063
  C      -6.934932     -2.528716      3.845221
  S      -7.934046     -1.193518      3.647904
  C      -5.822011     -2.438974      4.691484
  O      -4.903576     -3.361410      4.748737
  C      -8.005055     -6.062548      4.031883
  C      -8.377268     -6.665978      5.240134
  C      -9.423493     -7.590066      5.280456
  C     -10.114310     -7.932537      4.116995
  C      -9.731163     -7.321420      2.927249
  F     -10.392971     -7.639664      1.784429
  C      -8.698591     -6.395337      2.858794
  C      -1.508746     -4.995222      6.308157
  C      -2.476476     -4.961285      7.463679
  C      -3.906764     -5.071478      7.017288
  S      -4.451236     -6.514576      6.285096
  C      -4.843199     -4.060883      7.495922
  O      -6.057141     -4.040063      7.308742
  C      -0.086249     -4.707546      6.513813
  C       0.722101     -4.423094      5.386291
  C       2.046139     -4.013386      5.541992
  C       2.596674     -3.879160      6.817152
  C       1.791352     -4.163235      7.921607
  F       2.319139     -4.037825      9.155162
  C       0.467545     -4.564335      7.801580
  H      -2.611021     -2.261186      3.410986
  H      -4.832800     -2.037873      2.589694
  H      -4.356933     -2.351737      0.907679
  H      -3.446310      1.464399      2.689885
  H      -2.552658     -2.614590     -0.329947
  H      -0.503620     -2.395409     -1.684250
  H       1.726166     -2.106935     -0.571993
  H      -0.189119     -2.070843      3.250380
  H      -6.792269     -4.722829      5.084180
  H      -6.477092     -3.886132      2.250281
  H      -8.167846     -3.863492      2.748098
  H      -5.652624     -1.558290      5.320306
  H      -7.839698     -6.400293      6.152040
  H      -9.711106     -8.045201      6.229224
  H     -10.937841     -8.646611      4.122343
  H      -8.451339     -5.947790      1.894914
  H      -2.659006     -2.943056      6.636979
  H      -2.215301     -5.866286      8.054055
  H      -2.303986     -4.114017      8.148395
  H      -4.359674     -3.249600      8.102602
  H       0.298557     -4.526127      4.385513
  H       2.653860     -3.784949      4.664931
  H       3.628043     -3.559017      6.965946
  H      -0.105443     -4.780280      8.703280
  N      -2.498036     -2.923143      5.603598
  N      -1.290636     -2.133360      5.456951
  H      -1.046530     -1.607469      6.308282
  H      -0.453760     -2.709490      5.208069
  H      -1.494159     -1.426842      4.721025
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.049881652898
  N      -3.086849     -4.119492      2.696710
  C      -2.998735     -5.010936      1.553417
  C      -2.356886     -6.284155      2.037878
  N      -3.142394     -6.770790      3.207447
  C      -4.347198     -7.480173      2.681935
  C      -5.543604     -7.135904      3.522123
  N      -5.535341     -5.700306      3.729289
  Mo     -3.801641     -4.881020      4.427173
  N      -1.907603     -5.600687      5.170208
  C      -1.235019     -6.821997      4.718358
  C      -2.295424     -7.669095      4.032524
  H      -0.837604     -7.369726      5.585444
  H      -0.385287     -6.628267      4.041642
  H      -2.936836     -8.160870      4.771401
  H      -1.835517     -8.431671      3.382360
  H      -6.455065     -7.460228      3.002282
  H      -5.535584     -7.671967      4.493467
  H      -4.530339     -7.111650      1.666101
  H      -4.150317     -8.561131      2.625367
  H      -2.376156     -4.591454      0.753388
  H      -4.006133     -5.197623      1.129056
  H      -1.333891     -6.053309      2.355656
  H      -2.320309     -7.074392      1.271090
  C      -2.784588     -2.699251      2.453016
  C      -4.005242     -1.911671      1.891320
  C      -3.756976     -0.442187      1.728764
  S      -3.959558      0.380140      0.326407
  C      -3.247451      0.397306      2.864121
  O      -2.625492     -0.015488      3.839440
  C      -1.540047     -2.488379      1.591454
  C      -1.601320     -2.520233      0.188284
  C      -0.449977     -2.395719     -0.593130
  C       0.801709     -2.235314      0.001962
  C       0.845221     -2.165079      1.387562
  F       2.041878     -1.970095      2.007115
  C      -0.288138     -2.272347      2.183697
  C      -6.859954     -5.080636      4.038331
  C      -7.137029     -3.850018      3.129685
  C      -6.930989     -2.538402      3.841279
  S      -7.932935     -1.205441      3.638721
  C      -5.823315     -2.443308      4.694717
  O      -4.906833     -3.369071      4.762232
  C      -8.008571     -6.070397      4.028361
  C      -8.385880     -6.673877      5.234929
  C      -9.434869     -7.594834      5.271419
  C     -10.123386     -7.934111      4.105747
  C      -9.734981     -7.323452      2.917674
  F     -10.394578     -7.638660      1.772734
  C      -8.699300     -6.400481      2.852974
  C      -1.509575     -4.981357      6.286854
  C      -2.474664     -4.952674      7.443890
  C      -3.895644     -5.068173      6.972911
  S      -4.434380     -6.539580      6.286102
  C      -4.839522     -4.054550      7.442572
  O      -6.051725     -4.034630      7.250798
  C      -0.085365     -4.696484      6.504404
  C       0.735806     -4.418313      5.386127
  C       2.059411     -4.008837      5.554159
  C       2.595784     -3.872122      6.835272
  C       1.777149     -4.151248      7.928695
  F       2.289126     -4.022292      9.169123
  C       0.453492     -4.548608      7.794606
  H      -2.600110     -2.272559      3.435776
  H      -4.826151     -2.018191      2.619818
  H      -4.354169     -2.325759      0.937202
  H      -3.431005      1.484351      2.724676
  H      -2.563876     -2.628642     -0.311679
  H      -0.527596     -2.423393     -1.680486
  H       1.715662     -2.139972     -0.583818
  H      -0.165883     -2.078623      3.246515
  H      -6.797300     -4.731340      5.083695
  H      -6.473608     -3.898393      2.250350
  H      -8.164416     -3.870350      2.748932
  H      -5.659700     -1.562196      5.323661
  H      -7.850214     -6.410763      6.148614
  H      -9.726523     -8.049992      6.218859
  H     -10.949098     -8.645565      4.108188
  H      -8.447614     -5.953128      1.890307
  H      -2.686248     -2.881109      6.612774
  H      -2.224363     -5.843355      8.055690
  H      -2.317540     -4.090189      8.112969
  H      -4.356746     -3.224653      8.024287
  H       0.324049     -4.524093      4.380199
  H       2.673337     -3.782534      4.681956
  H       3.625468     -3.552954      6.996447
  H      -0.131867     -4.757465      8.689639
  N      -2.468994     -2.929233      5.608012
  N      -1.274320     -2.130725      5.466796
  H      -1.032701     -1.608779      6.321821
  H      -0.438173     -2.708653      5.220750
  H      -1.470507     -1.422809      4.727227
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.053852987154
  N      -3.100922     -4.117210      2.707134
  C      -3.037647     -5.007646      1.562910
  C      -2.380259     -6.280329      2.032214
  N      -3.145547     -6.777252      3.211230
  C      -4.349702     -7.498789      2.696892
  C      -5.548565     -7.151546      3.534176
  N      -5.543463     -5.716814      3.733794
  Mo     -3.813306     -4.890765      4.443685
  N      -1.909313     -5.590541      5.162359
  C      -1.221282     -6.794204      4.698436
  C      -2.278394     -7.663364      4.029494
  H      -0.790512     -7.334980      5.554310
  H      -0.391892     -6.584048      4.001017
  H      -2.906206     -8.156530      4.779444
  H      -1.818931     -8.425584      3.379009
  H      -6.458258     -7.483000      3.015285
  H      -5.538245     -7.681329      4.509616
  H      -4.536799     -7.144096      1.676879
  H      -4.149002     -8.579589      2.652838
  H      -2.433104     -4.587507      0.749428
  H      -4.052614     -5.200931      1.160742
  H      -1.352700     -6.047238      2.332510
  H      -2.353117     -7.065848      1.260157
  C      -2.779697     -2.703529      2.467093
  C      -3.989325     -1.894721      1.912746
  C      -3.711599     -0.431359      1.766602
  S      -3.892197      0.415139      0.377087
  C      -3.178273      0.379167      2.913290
  O      -2.550225     -0.065008      3.870109
  C      -1.538748     -2.499942      1.596093
  C      -1.609058     -2.534240      0.192707
  C      -0.464542     -2.415834     -0.598528
  C       0.793624     -2.257348     -0.014760
  C       0.845760     -2.181663      1.369256
  F       2.046820     -1.986847      1.981913
  C      -0.281601     -2.282698      2.175855
  C      -6.866234     -5.091236      4.036660
  C      -7.138303     -3.860471      3.125849
  C      -6.932990     -2.547199      3.832573
  S      -7.937041     -1.216730      3.623480
  C      -5.827821     -2.445304      4.689810
  O      -4.915370     -3.374499      4.765191
  C      -8.015949     -6.079741      4.022277
  C      -8.399073     -6.683651      5.226793
  C      -9.449143     -7.603475      5.258192
  C     -10.132970     -7.941267      4.089364
  C      -9.738650     -7.330650      2.903343
  F     -10.393500     -7.644519      1.755349
  C      -8.701595     -6.408817      2.843717
  C      -1.519319     -4.947058      6.271940
  C      -2.482419     -4.944292      7.435863
  C      -3.900442     -5.066655      6.945256
  S      -4.430761     -6.558918      6.287395
  C      -4.859707     -4.075921      7.446116
  O      -6.075783     -4.084531      7.292703
  C      -0.091849     -4.664206      6.495713
  C       0.736913     -4.396090      5.380672
  C       2.062964     -3.994849      5.551642
  C       2.594797     -3.857291      6.834953
  C       1.768893     -4.126906      7.924286
  F       2.275432     -3.998201      9.167931
  C       0.442349     -4.514658      7.786292
  H      -2.586228     -2.284366      3.452116
  H      -4.811796     -1.992280      2.640148
  H      -4.347278     -2.293186      0.955087
  H      -3.343707      1.471677      2.797810
  H      -2.575184     -2.639862     -0.301295
  H      -0.552918     -2.446760     -1.684969
  H       1.704458     -2.166620     -0.605998
  H      -0.139814     -2.080878      3.233352
  H      -6.808557     -4.738427      5.080992
  H      -6.474318     -3.911397      2.247118
  H      -8.165836     -3.878903      2.745306
  H      -5.667266     -1.561657      5.315960
  H      -7.867320     -6.421822      6.143181
  H      -9.745433     -8.058913      6.204058
  H     -10.959543     -8.651743      4.087887
  H      -8.444783     -5.961550      1.882398
  H      -2.735928     -2.811432      6.580171
  H      -2.233877     -5.829104      8.053318
  H      -2.344302     -4.075159      8.098763
  H      -4.382258     -3.242857      8.028242
  H       0.330980     -4.505860      4.372594
  H       2.679629     -3.777435      4.678715
  H       3.625996     -3.545529      7.000919
  H      -0.149174     -4.714779      8.679107
  N      -2.427684     -2.933653      5.606865
  N      -1.248953     -2.119725      5.469221
  H      -1.010074     -1.602270      6.327731
  H      -0.412594     -2.697236      5.225017
  H      -1.436475     -1.410902      4.727624
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.058153634777
  N      -3.115366     -4.113502      2.719099
  C      -3.074148     -5.002517      1.574529
  C      -2.402479     -6.274820      2.029754
  N      -3.149652     -6.782968      3.216129
  C      -4.352243     -7.516867      2.712368
  C      -5.554508     -7.168509      3.547372
  N      -5.554259     -5.735263      3.741887
  Mo     -3.823260     -4.903609      4.464245
  N      -1.915791     -5.574095      5.157310
  C      -1.214663     -6.764624      4.686432
  C      -2.264117     -7.654905      4.030860
  H      -0.757501     -7.297859      5.533629
  H      -0.402351     -6.539449      3.974037
  H      -2.879629     -8.149917      4.790254
  H      -1.801657     -8.416448      3.381979
  H      -6.462033     -7.507125      3.028491
  H      -5.541041     -7.695561      4.524668
  H      -4.542981     -7.177097      1.687596
  H      -4.145990     -8.596935      2.681731
  H      -2.487659     -4.580667      0.748703
  H      -4.095104     -5.205114      1.192663
  H      -1.371444     -6.039734      2.316250
  H      -2.382426     -7.054978      1.252141
  C      -2.776417     -2.707213      2.480527
  C      -3.978572     -1.888306      1.920029
  C      -3.682755     -0.432111      1.771867
  S      -3.835161      0.419378      0.383348
  C      -3.151780      0.370497      2.926425
  O      -2.525800     -0.084658      3.878034
  C      -1.537737     -2.508026      1.603802
  C      -1.612495     -2.548911      0.200144
  C      -0.472578     -2.431593     -0.595872
  C       0.789438     -2.266524     -0.019910
  C       0.846014     -2.183558      1.362632
  F       2.048100     -1.983423      1.971922
  C      -0.278193     -2.283559      2.175580
  C      -6.873431     -5.102841      4.043932
  C      -7.140369     -3.866416      3.138457
  C      -6.936928     -2.553393      3.846098
  S      -7.943045     -1.225879      3.636234
  C      -5.830121     -2.447290      4.704250
  O      -4.925971     -3.381307      4.775865
  C      -8.024666     -6.089990      4.018234
  C      -8.415014     -6.702222      5.216129
  C      -9.465582     -7.621811      5.234834
  C     -10.142623     -7.951111      4.059604
  C      -9.740944     -7.332577      2.880225
  F     -10.388785     -7.638129      1.726059
  C      -8.703196     -6.410794      2.833402
  C      -1.525545     -4.906191      6.262539
  C      -2.485133     -4.926920      7.435002
  C      -3.901164     -5.056691      6.921953
  S      -4.424199     -6.571841      6.298218
  C      -4.877639     -4.078424      7.429684
  O      -6.092923     -4.109947      7.292788
  C      -0.093806     -4.639197      6.488154
  C       0.740706     -4.383125      5.373478
  C       2.072129     -4.000865      5.544319
  C       2.606084     -3.871646      6.828020
  C       1.775180     -4.129988      7.916116
  F       2.282812     -4.010753      9.161586
  C       0.442367     -4.497146      7.779184
  H      -2.579626     -2.290486      3.466998
  H      -4.805467     -1.975608      2.642507
  H      -4.336942     -2.286046      0.961954
  H      -3.309451      1.464714      2.816834
  H      -2.579452     -2.657635     -0.291902
  H      -0.567910     -2.468123     -1.681632
  H       1.698164     -2.176701     -0.614449
  H      -0.121204     -2.073599      3.228996
  H      -6.821656     -4.752939      5.089397
  H      -6.475343     -3.914801      2.259919
  H      -8.167879     -3.881569      2.757619
  H      -5.669969     -1.562035      5.328797
  H      -7.888990     -6.447382      6.137882
  H      -9.767653     -8.083810      6.175673
  H     -10.969483     -8.661207      4.048305
  H      -8.439853     -5.957371      1.876716
  H      -2.752936     -2.723000      6.547503
  H      -2.237819     -5.809581      8.052726
  H      -2.365100     -4.050960      8.090266
  H      -4.407560     -3.232934      8.000872
  H       0.334852     -4.489941      4.365244
  H       2.688944     -3.792980      4.668452
  H       3.641634     -3.575834      6.996095
  H      -0.153485     -4.686833      8.671370
  N      -2.367740     -2.948539      5.620838
  N      -1.219127     -2.101533      5.485177
  H      -0.983120     -1.588027      6.347155
  H      -0.379819     -2.673428      5.240232
  H      -1.402618     -1.392530      4.743256
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.062534892402
  N      -3.127732     -4.119327      2.729055
  C      -3.107828     -5.006327      1.583536
  C      -2.423385     -6.277714      2.027417
  N      -3.155099     -6.792639      3.220403
  C      -4.355109     -7.537797      2.726084
  C      -5.560868     -7.186421      3.557201
  N      -5.564365     -5.754422      3.745699
  Mo     -3.828650     -4.924217      4.482694
  N      -1.929578     -5.551215      5.151800
  C      -1.214999     -6.732149      4.678215
  C      -2.252974     -7.645738      4.037402
  H      -0.735643     -7.255673      5.519516
  H      -0.417484     -6.491679      3.954608
  H      -2.855776     -8.141916      4.806388
  H      -1.783085     -8.407185      3.393732
  H      -6.466542     -7.531567      3.038537
  H      -5.544428     -7.712216      4.535529
  H      -4.547057     -7.213828      1.696072
  H      -4.143184     -8.616992      2.710046
  H      -2.539816     -4.582978      0.746083
  H      -4.134073     -5.218189      1.220717
  H      -1.389969     -6.040019      2.303146
  H      -2.408433     -7.054759      1.246711
  C      -2.773321     -2.720515      2.490627
  C      -3.975545     -1.892443      1.929151
  C      -3.670762     -0.441748      1.776415
  S      -3.799206      0.412598      0.387724
  C      -3.142330      0.357565      2.935801
  O      -2.514198     -0.102267      3.882451
  C      -1.539771     -2.526299      1.605111
  C      -1.616395     -2.575823      0.201244
  C      -0.477960     -2.457023     -0.593915
  C       0.785305     -2.279869     -0.021891
  C       0.843606     -2.187551      1.359383
  F       2.043074     -1.972935      1.966259
  C      -0.281411     -2.291451      2.173808
  C      -6.876977     -5.110966      4.050999
  C      -7.133093     -3.864148      3.156589
  C      -6.928667     -2.553348      3.870126
  S      -7.932394     -1.226086      3.663392
  C      -5.818196     -2.451001      4.729358
  O      -4.928779     -3.393844      4.787527
  C      -8.033288     -6.092739      4.007645
  C      -8.435259     -6.717712      5.194847
  C      -9.488867     -7.634087      5.193909
  C     -10.157228     -7.947402      4.009264
  C      -9.743725     -7.316407      2.840630
  F     -10.382402     -7.606271      1.677283
  C      -8.702793     -6.397472      2.813648
  C      -1.532339     -4.858510      6.252266
  C      -2.479755     -4.913540      7.438662
  C      -3.896412     -5.052705      6.919449
  S      -4.421095     -6.581799      6.315789
  C      -4.888554     -4.094506      7.448538
  O      -6.102942     -4.152398      7.335134
  C      -0.095966     -4.599829      6.472859
  C       0.742017     -4.359186      5.357026
  C       2.079062     -3.996500      5.527985
  C       2.615787     -3.870475      6.810381
  C       1.780629     -4.113490      7.898786
  F       2.289423     -3.999104      9.145308
  C       0.442381     -4.461783      7.764641
  H      -2.569646     -2.305654      3.477196
  H      -4.801975     -1.976229      2.650919
  H      -4.335382     -2.293187      0.972746
  H      -3.298390      1.452486      2.828655
  H      -2.581994     -2.690145     -0.291904
  H      -0.575491     -2.500148     -1.679385
  H       1.692017     -2.187385     -0.619046
  H      -0.118407     -2.072788      3.224006
  H      -6.831379     -4.770157      5.099574
  H      -6.465624     -3.908659      2.279074
  H      -8.159614     -3.871452      2.772738
  H      -5.655852     -1.566289      5.354847
  H      -7.916631     -6.476063      6.124360
  H      -9.800132     -8.106263      6.126647
  H     -10.986134     -8.654727      3.982791
  H      -8.429357     -5.934269      1.864474
  H      -2.777171     -2.658747      6.513191
  H      -2.220495     -5.801832      8.041145
  H      -2.372306     -4.036540      8.092906
  H      -4.423217     -3.239992      8.011652
  H       0.334677     -4.468044      4.350089
  H       2.697893     -3.803739      4.649830
  H       3.655674     -3.590675      6.978829
  H      -0.156658     -4.639930      8.656927
  N      -2.298592     -2.974176      5.661508
  N      -1.185658     -2.081327      5.511665
  H      -0.949711     -1.568395      6.374370
  H      -0.341320     -2.642716      5.262098
  H      -1.371351     -1.372700      4.771121
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.064929070354
  N      -3.142997     -4.125782      2.735716
  C      -3.147228     -5.010572      1.589234
  C      -2.447165     -6.278230      2.022014
  N      -3.158584     -6.797374      3.225717
  C      -4.354386     -7.558515      2.746489
  C      -5.562842     -7.201926      3.573517
  N      -5.569903     -5.768318      3.748469
  Mo     -3.833238     -4.943315      4.495797
  N      -1.940637     -5.521576      5.143515
  C      -1.209217     -6.692227      4.671985
  C      -2.236580     -7.627070      4.046561
  H      -0.709773     -7.204488      5.508908
  H      -0.425061     -6.438397      3.938145
  H      -2.826691     -8.122633      4.825545
  H      -1.757574     -8.388863      3.409610
  H      -6.467608     -7.555644      3.058959
  H      -5.542443     -7.719806      4.556246
  H      -4.548779     -7.253835      1.711022
  H      -4.134593     -8.636278      2.748332
  H      -2.600366     -4.586491      0.738454
  H      -4.180659     -5.229031      1.250387
  H      -1.411496     -6.032939      2.281953
  H      -2.438599     -7.055897      1.241866
  C      -2.770654     -2.733830      2.502639
  C      -3.971022     -1.887571      1.952657
  C      -3.656770     -0.439202      1.801609
  S      -3.767211      0.419729      0.413144
  C      -3.125752      0.356048      2.963015
  O      -2.491316     -0.105903      3.904690
  C      -1.542012     -2.549074      1.610253
  C      -1.624608     -2.603738      0.207000
  C      -0.488715     -2.484055     -0.591866
  C       0.775428     -2.298361     -0.025639
  C       0.839261     -2.198898      1.355493
  F       2.038884     -1.973725      1.956427
  C      -0.282676     -2.307011      2.173980
  C      -6.878806     -5.119459      4.057765
  C      -7.126214     -3.864545      3.171277
  C      -6.920522     -2.553796      3.889096
  S      -7.922352     -1.225697      3.685261
  C      -5.806782     -2.455404      4.745997
  O      -4.926082     -3.404010      4.799788
  C      -8.038260     -6.097301      3.999168
  C      -8.449714     -6.732083      5.177771
  C      -9.504610     -7.646979      5.160623
  C     -10.164448     -7.949067      3.968191
  C      -9.740905     -7.308601      2.808225
  F     -10.370612     -7.587671      1.637254
  C      -8.698606     -6.390920      2.797411
  C      -1.546901     -4.804383      6.241901
  C      -2.487274     -4.898256      7.432786
  C      -3.899438     -5.049465      6.901996
  S      -4.417453     -6.591711      6.319729
  C      -4.906399     -4.102605      7.422845
  O      -6.118978     -4.176899      7.303116
  C      -0.101895     -4.559431      6.458028
  C       0.739259     -4.339843      5.341988
  C       2.082688     -3.999101      5.513177
  C       2.621208     -3.876017      6.793921
  C       1.781495     -4.100749      7.883231
  F       2.291098     -3.989873      9.129177
  C       0.437049     -4.427504      7.749723
  H      -2.553171     -2.325046      3.488905
  H      -4.791924     -1.971017      2.679761
  H      -4.337344     -2.285012      0.997329
  H      -3.285642      1.451286      2.860030
  H      -2.591331     -2.719380     -0.282931
  H      -0.589551     -2.531206     -1.676985
  H       1.678151     -2.203752     -0.628582
  H      -0.113443     -2.081111      3.223227
  H      -6.838477     -4.787782      5.109652
  H      -6.456593     -3.907577      2.295219
  H      -8.151419     -3.866720      2.783848
  H      -5.643126     -1.570617      5.371723
  H      -7.938142     -6.499624      6.113536
  H      -9.823530     -8.126972      6.086800
  H     -10.994016     -8.655065      3.929275
  H      -8.416369     -5.920674      1.854299
  H      -2.807760     -2.596767      6.486628
  H      -2.215672     -5.791176      8.023123
  H      -2.395173     -4.023688      8.092124
  H      -4.451044     -3.232815      7.972540
  H       0.330935     -4.450139      4.335806
  H       2.706662     -3.822506      4.635166
  H       3.665849     -3.613950      6.961395
  H      -0.165418     -4.591778      8.642350
  N      -2.223488     -3.015164      5.689297
  N      -1.145422     -2.075554      5.532657
  H      -0.908967     -1.564853      6.397592
  H      -0.294626     -2.626497      5.278029
  H      -1.339566     -1.366457      4.794718
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.068602880638
  N      -3.156682     -4.138385      2.734826
  C      -3.173833     -5.024393      1.590071
  C      -2.461079     -6.284062      2.024279
  N      -3.161799     -6.797041      3.236565
  C      -4.350189     -7.573509      2.767597
  C      -5.561642     -7.209959      3.585428
  N      -5.571860     -5.772921      3.744767
  Mo     -3.834129     -4.954539      4.501853
  N      -1.960557     -5.481279      5.141531
  C      -1.215320     -6.652272      4.681354
  C      -2.230213     -7.602830      4.070490
  H      -0.708610     -7.153551      5.521026
  H      -0.434975     -6.390062      3.946401
  H      -2.814315     -8.092470      4.857314
  H      -1.740184     -8.368867      3.446311
  H      -6.464899     -7.571457      3.073494
  H      -5.540829     -7.719914      4.572331
  H      -4.542183     -7.288519      1.726166
  H      -4.122270     -8.649497      2.788746
  H      -2.643529     -4.602210      0.728399
  H      -4.211583     -5.250083      1.268258
  H      -1.425548     -6.029721      2.276465
  H      -2.452520     -7.068424      1.250866
  C      -2.777700     -2.750568      2.500420
  C      -3.982997     -1.900422      1.951714
  C      -3.674817     -0.451187      1.789267
  S      -3.774472      0.395442      0.390290
  C      -3.156830      0.360511      2.945291
  O      -2.521289     -0.082354      3.896622
  C      -1.552725     -2.571429      1.607687
  C      -1.627425     -2.636952      0.205123
  C      -0.484340     -2.508890     -0.583368
  C       0.771242     -2.301209     -0.007941
  C       0.825461     -2.188818      1.374050
  F       2.015582     -1.939219      1.980025
  C      -0.303296     -2.309964      2.181224
  C      -6.879098     -5.120208      4.057117
  C      -7.116599     -3.856135      3.181226
  C      -6.913654     -2.545044      3.907075
  S      -7.912779     -1.217108      3.705099
  C      -5.796541     -2.452858      4.763866
  O      -4.924469     -3.405404      4.808938
  C      -8.041569     -6.094037      3.979691
  C      -8.464482     -6.740467      5.147737
  C      -9.520525     -7.653825      5.110993
  C     -10.169748     -7.942661      3.909311
  C      -9.734304     -7.290603      2.760016
  F     -10.353022     -7.556742      1.580052
  C      -8.690842     -6.374245      2.768743
  C      -1.548837     -4.755478      6.239545
  C      -2.474284     -4.883532      7.445956
  C      -3.889225     -5.035159      6.930769
  S      -4.414437     -6.572647      6.344195
  C      -4.900336     -4.108969      7.472181
  O      -6.113645     -4.202300      7.364687
  C      -0.091922     -4.538139      6.440268
  C       0.744221     -4.335139      5.319899
  C       2.095920     -4.023737      5.486863
  C       2.645582     -3.916508      6.762776
  C       1.808181     -4.127568      7.857340
  F       2.327602     -4.032751      9.099486
  C       0.455977     -4.425185      7.730026
  H      -2.553546     -2.337880      3.482994
  H      -4.798494     -1.987802      2.683369
  H      -4.346320     -2.308687      0.999774
  H      -3.333795      1.452490      2.829773
  H      -2.589183     -2.763605     -0.291192
  H      -0.573129     -2.564050     -1.669345
  H       1.674777     -2.198274     -0.608584
  H      -0.155188     -2.073587      3.233209
  H      -6.846123     -4.800458      5.113299
  H      -6.441830     -3.895058      2.308644
  H      -8.138912     -3.854052      2.786195
  H      -5.633113     -1.567923      5.390326
  H      -7.961741     -6.518744      6.090927
  H      -9.848631     -8.143108      6.029160
  H     -10.999767     -8.647205      3.855308
  H      -8.398411     -5.895261      1.833119
  H      -2.767554     -2.585622      6.452877
  H      -2.183343     -5.791877      8.005007
  H      -2.377415     -4.021404      8.120878
  H      -4.447207     -3.237804      8.022994
  H       0.325113     -4.434463      4.317252
  H       2.721676     -3.857457      4.608413
  H       3.696905     -3.678072      6.923558
  H      -0.144744     -4.579709      8.625589
  N      -2.177653     -3.039591      5.739348
  N      -1.141483     -2.042977      5.559822
  H      -0.907898     -1.522899      6.421771
  H      -0.277615     -2.575145      5.302998
  H      -1.356834     -1.340087      4.821543
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.072933001495
  N      -3.179913     -4.141260      2.730410
  C      -3.212389     -5.029280      1.588207
  C      -2.482537     -6.280784      2.018382
  N      -3.165543     -6.791069      3.242075
  C      -4.349717     -7.587402      2.793041
  C      -5.563748     -7.215101      3.604026
  N      -5.575304     -5.774310      3.743258
  Mo     -3.842869     -4.955413      4.500819
  N      -1.967856     -5.442425      5.126930
  C      -1.211478     -6.609597      4.678370
  C      -2.217770     -7.576388      4.078156
  H      -0.694641     -7.099727      5.518965
  H      -0.436721     -6.343234      3.938403
  H      -2.794044     -8.063834      4.871941
  H      -1.721165     -8.343474      3.460396
  H      -6.466055     -7.584934      3.096616
  H      -5.543880     -7.710280      4.598246
  H      -4.544577     -7.326847      1.746004
  H      -4.114102     -8.661033      2.836814
  H      -2.701026     -4.608209      0.714554
  H      -4.255173     -5.261052      1.288790
  H      -1.446554     -6.015194      2.256990
  H      -2.476516     -7.070505      1.250500
  C      -2.785615     -2.757207      2.499940
  C      -3.978746     -1.883371      1.961695
  C      -3.646880     -0.437810      1.807429
  S      -3.715109      0.409618      0.405857
  C      -3.130126      0.368105      2.966059
  O      -2.500741     -0.077573      3.921892
  C      -1.561728     -2.589668      1.605547
  C      -1.637170     -2.657025      0.203703
  C      -0.492818     -2.532330     -0.585626
  C       0.761333     -2.324225     -0.009187
  C       0.815649     -2.208408      1.373046
  F       2.005591     -1.953282      1.977692
  C      -0.312564     -2.328669      2.179181
  C      -6.885434     -5.125301      4.056059
  C      -7.118806     -3.859561      3.182250
  C      -6.919361     -2.548403      3.909512
  S      -7.920323     -1.221833      3.707051
  C      -5.799765     -2.452298      4.761279
  O      -4.923856     -3.403035      4.814024
  C      -8.046398     -6.099267      3.967858
  C      -8.477867     -6.747842      5.131668
  C      -9.531559     -7.663447      5.084848
  C     -10.169657     -7.952591      3.877317
  C      -9.725548     -7.298609      2.732418
  F     -10.333278     -7.565386      1.546889
  C      -8.684187     -6.379987      2.750933
  C      -1.559704     -4.699702      6.227571
  C      -2.463601     -4.893417      7.446047
  C      -3.880576     -5.036879      6.941615
  S      -4.412776     -6.567635      6.350844
  C      -4.882741     -4.110323      7.493844
  O      -6.097958     -4.198280      7.393035
  C      -0.093256     -4.497063      6.428355
  C       0.746755     -4.302113      5.311710
  C       2.104435     -4.017185      5.484026
  C       2.652718     -3.927838      6.761731
  C       1.809603     -4.131005      7.852845
  F       2.326901     -4.054254      9.096246
  C       0.452465     -4.404966      7.718215
  H      -2.549852     -2.352044      3.482913
  H      -4.792353     -1.964258      2.696670
  H      -4.349023     -2.279744      1.007484
  H      -3.297359      1.461014      2.849160
  H      -2.600337     -2.779298     -0.291066
  H      -0.579655     -2.588565     -1.671598
  H       1.664341     -2.222320     -0.610839
  H      -0.171629     -2.090387      3.231113
  H      -6.857326     -4.810556      5.114087
  H      -6.439893     -3.897181      2.312951
  H      -8.138899     -3.857535      2.781490
  H      -5.635797     -1.563849      5.382641
  H      -7.983786     -6.525632      6.079264
  H      -9.866505     -8.154384      5.999654
  H     -10.997539     -8.658959      3.815478
  H      -8.383801     -5.900351      1.818238
  H      -2.793846     -2.624782      6.434778
  H      -2.153326     -5.813044      7.972674
  H      -2.368677     -4.049261      8.144284
  H      -4.423182     -3.240247      8.040257
  H       0.330375     -4.390645      4.306993
  H       2.738934     -3.860340      4.610403
  H       3.708236     -3.710771      6.925054
  H      -0.152143     -4.555869      8.611818
  N      -2.160604     -3.051729      5.748538
  N      -1.130016     -2.043820      5.562297
  H      -0.898971     -1.526746      6.426753
  H      -0.262020     -2.567287      5.301255
  H      -1.355716     -1.337775      4.827768
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.078108021453
  N      -3.211218     -4.145710      2.721906
  C      -3.249949     -5.037714      1.583841
  C      -2.500892     -6.278825      2.014746
  N      -3.167894     -6.783525      3.249943
  C      -4.347687     -7.598349      2.817969
  C      -5.563708     -7.217937      3.619786
  N      -5.575275     -5.772507      3.741748
  Mo     -3.854456     -4.950132      4.494921
  N      -1.964163     -5.402834      5.109206
  C      -1.201978     -6.569460      4.675137
  C      -2.204975     -7.550632      4.088299
  H      -0.675286     -7.047797      5.516833
  H      -0.433031     -6.305445      3.927133
  H      -2.774994     -8.032965      4.889627
  H      -1.704899     -8.320690      3.477153
  H      -6.464151     -7.594489      3.114899
  H      -5.548235     -7.697402      4.621088
  H      -4.544042     -7.357106      1.766832
  H      -4.105746     -8.669460      2.880365
  H      -2.754831     -4.618247      0.700054
  H      -4.296149     -5.276725      1.305066
  H      -1.465646     -5.999396      2.240637
  H      -2.494810     -7.076692      1.255587
  C      -2.806552     -2.762441      2.499068
  C      -3.982902     -1.862779      1.975283
  C      -3.613846     -0.423781      1.843046
  S      -3.646478      0.435878      0.446508
  C      -3.077523      0.354800      3.007120
  O      -2.453382     -0.114973      3.957614
  C      -1.580613     -2.602762      1.606226
  C      -1.657027     -2.665308      0.204964
  C      -0.512154     -2.543376     -0.587269
  C       0.741033     -2.341485     -0.009081
  C       0.796095     -2.228971      1.373703
  F       1.989045     -1.978653      1.977434
  C      -0.329821     -2.348079      2.179632
  C      -6.892443     -5.132747      4.052709
  C      -7.123699     -3.871724      3.172801
  C      -6.930441     -2.558022      3.893658
  S      -7.936192     -1.234094      3.682365
  C      -5.814850     -2.451897      4.743202
  O      -4.923639     -3.394073      4.820189
  C      -8.050892     -6.107445      3.957277
  C      -8.490575     -6.753090      5.119884
  C      -9.542257     -7.670569      5.067697
  C     -10.170142     -7.964606      3.856130
  C      -9.718020     -7.313598      2.712703
  F     -10.316214     -7.585461      1.523491
  C      -8.678329     -6.393224      2.736134
  C      -1.560699     -4.638099      6.211168
  C      -2.454852     -4.876050      7.431616
  C      -3.873092     -5.023887      6.936004
  S      -4.402732     -6.554433      6.351193
  C      -4.864611     -4.092818      7.487269
  O      -6.082774     -4.173791      7.392607
  C      -0.081063     -4.460874      6.417668
  C       0.765345     -4.272473      5.307407
  C       2.127569     -4.012118      5.487843
  C       2.670508     -3.944297      6.769616
  C       1.820055     -4.143039      7.854873
  F       2.331515     -4.086368      9.100374
  C       0.458676     -4.392667      7.707709
  H      -2.560863     -2.366845      3.484071
  H      -4.795020     -1.936578      2.713774
  H      -4.362175     -2.236437      1.015676
  H      -3.220936      1.451694      2.905964
  H      -2.622787     -2.779176     -0.286934
  H      -0.597640     -2.595786     -1.673272
  H       1.643997     -2.241092     -0.611035
  H      -0.198274     -2.113507      3.232436
  H      -6.869355     -4.818722      5.111376
  H      -6.439245     -3.912171      2.308312
  H      -8.141006     -3.874475      2.764966
  H      -5.655682     -1.557634      5.357057
  H      -8.004109     -6.526232      6.070267
  H      -9.883630     -8.159151      5.981357
  H     -10.996297     -8.672512      3.789983
  H      -8.370638     -5.916501      1.804434
  H      -2.814560     -2.680513      6.429672
  H      -2.126908     -5.794703      7.944551
  H      -2.366921     -4.042401      8.145922
  H      -4.401614     -3.220766      8.026556
  H       0.355629     -4.344211      4.298593
  H       2.772314     -3.858209      4.621515
  H       3.729198     -3.747117      6.937496
  H      -0.151672     -4.540908      8.597799
  N      -2.163396     -3.066809      5.746302
  N      -1.129375     -2.060786      5.564975
  H      -0.899089     -1.550125      6.433090
  H      -0.259059     -2.576305      5.296604
  H      -1.375540     -1.352367      4.835706
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.082634235185
  N      -3.238105     -4.145700      2.711956
  C      -3.281396     -5.040960      1.577834
  C      -2.516098     -6.274471      2.009060
  N      -3.170148     -6.776084      3.253059
  C      -4.346884     -7.606022      2.835107
  C      -5.564794     -7.220165      3.630559
  N      -5.576630     -5.772274      3.740701
  Mo     -3.863756     -4.945788      4.489273
  N      -1.962421     -5.360378      5.091129
  C      -1.196423     -6.526389      4.671954
  C      -2.193314     -7.525320      4.094192
  H      -0.661585     -6.994458      5.514948
  H      -0.431622     -6.264274      3.917627
  H      -2.757737     -8.004432      4.901467
  H      -1.688265     -8.296931      3.489419
  H      -6.463536     -7.602390      3.127271
  H      -5.551891     -7.688194      4.637039
  H      -4.545039     -7.380878      1.780837
  H      -4.099593     -8.674652      2.912854
  H      -2.799370     -4.622616      0.686126
  H      -4.329318     -5.288410      1.315964
  H      -1.481724     -5.984477      2.225196
  H      -2.509387     -7.077844      1.256005
  C      -2.823644     -2.765926      2.496251
  C      -3.986141     -1.850141      1.973378
  C      -3.589195     -0.418905      1.850917
  S      -3.584943      0.442433      0.454961
  C      -3.052628      0.347128      3.019083
  O      -2.437591     -0.135159      3.970556
  C      -1.592377     -2.612463      1.607153
  C      -1.666262     -2.670333      0.205878
  C      -0.520683     -2.547803     -0.586603
  C       0.731469     -2.348539     -0.005539
  C       0.784508     -2.240984      1.377276
  F       1.978713     -1.994810      1.983466
  C      -0.340222     -2.362978      2.182091
  C      -6.897919     -5.139745      4.054627
  C      -7.128984     -3.881033      3.172516
  C      -6.939756     -2.566940      3.888127
  S      -7.950448     -1.245738      3.670791
  C      -5.826325     -2.450300      4.734251
  O      -4.922156     -3.384040      4.830070
  C      -8.054044     -6.115538      3.952976
  C      -8.499599     -6.761284      5.113458
  C      -9.549260     -7.680517      5.055799
  C     -10.169194     -7.976495      3.840792
  C      -9.711299     -7.325781      2.699629
  F     -10.301956     -7.599914      1.507226
  C      -8.673389     -6.403650      2.728291
  C      -1.570647     -4.565958      6.197764
  C      -2.448554     -4.859139      7.424506
  C      -3.868713     -5.012860      6.935949
  S      -4.394695     -6.544077      6.349442
  C      -4.854149     -4.083398      7.496499
  O      -6.073895     -4.160807      7.413068
  C      -0.079192     -4.421966      6.409442
  C       0.774338     -4.244496      5.303971
  C       2.141679     -4.016118      5.489845
  C       2.681306     -3.973396      6.775067
  C       1.823838     -4.163870      7.854976
  F       2.330930     -4.131487      9.102676
  C       0.456982     -4.380929      7.698871
  H      -2.573646     -2.377033      3.483938
  H      -4.801272     -1.915614      2.709449
  H      -4.366820     -2.211838      1.009946
  H      -3.176032      1.445995      2.922590
  H      -2.632642     -2.778326     -0.286432
  H      -0.604457     -2.596333     -1.672684
  H       1.635627     -2.246931     -0.605370
  H      -0.216523     -2.133966      3.235784
  H      -6.877316     -4.827497      5.113951
  H      -6.441297     -3.922133      2.310725
  H      -8.144837     -3.886758      2.761180
  H      -5.670903     -1.550716      5.340979
  H      -8.019152     -6.532340      6.066376
  H      -9.895255     -8.169001      5.967701
  H     -10.993653     -8.685850      3.770214
  H      -8.360120     -5.927617      1.798242
  H      -2.832666     -2.706439      6.422017
  H      -2.104192     -5.779457      7.918023
  H      -2.369852     -4.038982      8.156865
  H      -4.389121     -3.210591      8.032799
  H       0.370137     -4.298572      4.291574
  H       2.793608     -3.868633      4.627838
  H       3.743840     -3.802104      6.946874
  H      -0.158903     -4.523132      8.586074
  N      -2.134718     -3.095829      5.744440
  N      -1.114146     -2.081047      5.575118
  H      -0.885805     -1.580413      6.449576
  H      -0.240888     -2.584434      5.298112
  H      -1.382508     -1.371126      4.852848
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.086559729343
  N      -3.265821     -4.139899      2.702725
  C      -3.304099     -5.041394      1.574406
  C      -2.522522     -6.264671      2.010969
  N      -3.166437     -6.763207      3.262531
  C      -4.337361     -7.609144      2.856926
  C      -5.559477     -7.217452      3.643115
  N      -5.573460     -5.767367      3.738281
  Mo     -3.872632     -4.928717      4.485511
  N      -1.954865     -5.322151      5.077358
  C      -1.193526     -6.494894      4.678582
  C      -2.183712     -7.502237      4.105883
  H      -0.658503     -6.955779      5.526047
  H      -0.427059     -6.241390      3.921982
  H      -2.747632     -7.976949      4.916117
  H      -1.676492     -8.276569      3.506651
  H      -6.454570     -7.606343      3.138640
  H      -5.552612     -7.672461      4.655514
  H      -4.534906     -7.402187      1.798750
  H      -4.083575     -8.674629      2.952604
  H      -2.832854     -4.623255      0.676511
  H      -4.351258     -5.302603      1.324952
  H      -1.490050     -5.963604      2.220901
  H      -2.511838     -7.073399      1.263830
  C      -2.845720     -2.763779      2.489908
  C      -4.001684     -1.843946      1.961703
  C      -3.596763     -0.414386      1.843925
  S      -3.562541      0.441498      0.445260
  C      -3.076227      0.354446      3.014835
  O      -2.470619     -0.124922      3.974322
  C      -1.607015     -2.614390      1.608767
  C      -1.670389     -2.676984      0.207428
  C      -0.520473     -2.553313     -0.578539
  C       0.727326     -2.348581      0.011036
  C       0.770421     -2.237823      1.393582
  F       1.962457     -1.994632      2.007392
  C      -0.358332     -2.360523      2.191692
  C      -6.900301     -5.141878      4.049126
  C      -7.131491     -3.887048      3.161895
  C      -6.949293     -2.571025      3.872457
  S      -7.967504     -1.255220      3.645540
  C      -5.841515     -2.438827      4.720750
  O      -4.923831     -3.360447      4.838884
  C      -8.052652     -6.121304      3.943941
  C      -8.506397     -6.761207      5.104658
  C      -9.553643     -7.682925      5.044326
  C     -10.162942     -7.987537      3.826158
  C      -9.697115     -7.342941      2.684789
  F     -10.277691     -7.625618      1.489498
  C      -8.661352     -6.418572      2.716008
  C      -1.566390     -4.507006      6.184673
  C      -2.428395     -4.843144      7.419340
  C      -3.856245     -4.993173      6.948171
  S      -4.386631     -6.520564      6.356551
  C      -4.828863     -4.055800      7.515645
  O      -6.050160     -4.119292      7.440612
  C      -0.065669     -4.413812      6.400072
  C       0.795109     -4.252281      5.296967
  C       2.166954     -4.059114      5.485211
  C       2.706279     -4.044913      6.772279
  C       1.843905     -4.225248      7.848706
  F       2.349494     -4.219646      9.097501
  C       0.471271     -4.402427      7.688701
  H      -2.596837     -2.376585      3.478735
  H      -4.822156     -1.906491      2.692274
  H      -4.377381     -2.201096      0.994775
  H      -3.199446      1.452981      2.918498
  H      -2.633646     -2.788445     -0.290644
  H      -0.596624     -2.605870     -1.664912
  H       1.636399     -2.247436     -0.581421
  H      -0.252729     -2.131180      3.246916
  H      -6.883304     -4.826974      5.107689
  H      -6.438492     -3.929009      2.304319
  H      -8.145077     -3.897248      2.745214
  H      -5.693958     -1.533230      5.320085
  H      -8.034179     -6.524900      6.059958
  H      -9.906053     -8.166580      5.956356
  H     -10.985397     -8.699006      3.753140
  H      -8.340970     -5.947812      1.785713
  H      -2.815902     -2.736493      6.431104
  H      -2.072980     -5.770258      7.889385
  H      -2.346767     -4.040555      8.171786
  H      -4.355272     -3.184563      8.047650
  H       0.394169     -4.286524      4.281797
  H       2.821773     -3.916101      4.625110
  H       3.772857     -3.902385      6.945720
  H      -0.148603     -4.534098      8.574862
  N      -2.143297     -3.093347      5.748177
  N      -1.134830     -2.072269      5.586849
  H      -0.913169     -1.571698      6.463479
  H      -0.255089     -2.561172      5.307463
  H      -1.429804     -1.370828      4.865187
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.089115543441
  N      -3.288855     -4.147020      2.692933
  C      -3.325542     -5.056810      1.571053
  C      -2.529437     -6.271133      2.012937
  N      -3.162454     -6.766584      3.272251
  C      -4.326975     -7.627699      2.881565
  C      -5.554303     -7.227081      3.657872
  N      -5.570491     -5.776676      3.735592
  Mo     -3.874564     -4.927232      4.485008
  N      -1.953428     -5.295466      5.059667
  C      -1.197339     -6.479784      4.691732
  C      -2.176826     -7.493605      4.121969
  H      -0.670623     -6.932001      5.549499
  H      -0.422883     -6.238001      3.939444
  H      -2.741239     -7.963725      4.934567
  H      -1.664225     -8.271074      3.531496
  H      -6.445882     -7.622532      3.152040
  H      -5.552335     -7.671936      4.674857
  H      -4.522965     -7.445808      1.818226
  H      -4.066003     -8.688912      3.001421
  H      -2.868452     -4.639721      0.666003
  H      -4.371465     -5.335590      1.335246
  H      -1.498282     -5.960928      2.217193
  H      -2.515450     -7.084257      1.270663
  C      -2.855531     -2.776802      2.481272
  C      -4.007772     -1.842099      1.964520
  C      -3.589677     -0.415081      1.873160
  S      -3.514005      0.463775      0.490251
  C      -3.073177      0.325530      3.064956
  O      -2.482357     -0.179393      4.020837
  C      -1.618351     -2.626463      1.599202
  C      -1.672686     -2.699525      0.197783
  C      -0.518778     -2.568457     -0.578390
  C       0.723875     -2.344839      0.017952
  C       0.756818     -2.223227      1.399605
  F       1.940916     -1.962719      2.019471
  C      -0.378410     -2.353248      2.189651
  C      -6.895784     -5.145668      4.047136
  C      -7.120922     -3.888883      3.161105
  C      -6.940631     -2.572146      3.872587
  S      -7.962549     -1.259848      3.641938
  C      -5.834490     -2.431375      4.724128
  O      -4.916545     -3.349115      4.847647
  C      -8.050738     -6.121982      3.935255
  C      -8.520257     -6.754757      5.093423
  C      -9.570778     -7.672359      5.025388
  C     -10.167551     -7.979843      3.801633
  C      -9.686193     -7.342100      2.662764
  F     -10.254303     -7.627332      1.462079
  C      -8.646948     -6.422018      2.701876
  C      -1.572825     -4.458906      6.166611
  C      -2.412847     -4.834993      7.410649
  C      -3.845211     -4.984507      6.953332
  S      -4.377185     -6.511833      6.364332
  C      -4.819213     -4.037449      7.505366
  O      -6.039437     -4.097563      7.424518
  C      -0.067102     -4.391913      6.381036
  C       0.794983     -4.241081      5.276566
  C       2.170069     -4.073817      5.463157
  C       2.713962     -4.076316      6.748097
  C       1.850915     -4.245376      7.825456
  F       2.358667     -4.255612      9.074264
  C       0.474555     -4.395082      7.669697
  H      -2.600901     -2.394552      3.470167
  H      -4.828657     -1.911355      2.693626
  H      -4.384340     -2.182256      0.991682
  H      -3.198859      1.426485      2.998821
  H      -2.630406     -2.824248     -0.307655
  H      -0.587102     -2.629945     -1.665007
  H       1.636051     -2.237573     -0.568702
  H      -0.290646     -2.116289      3.245013
  H      -6.881129     -4.831765      5.105870
  H      -6.423259     -3.931736      2.306930
  H      -8.132370     -3.896642      2.739195
  H      -5.691514     -1.521783      5.318570
  H      -8.058319     -6.516280      6.053285
  H      -9.935449     -8.150587      5.935501
  H     -10.992159     -8.688251      3.722339
  H      -8.313661     -5.956795      1.773182
  H      -2.820098     -2.741430      6.432019
  H      -2.041280     -5.771241      7.849508
  H      -2.328267     -4.048137      8.179475
  H      -4.344714     -3.164116      8.035455
  H       0.391876     -4.265898      4.262221
  H       2.823335     -3.939571      4.600607
  H       3.783536     -3.954836      6.919501
  H      -0.144813     -4.516827      8.557418
  N      -2.129963     -3.088768      5.765985
  N      -1.151587     -2.038328      5.597367
  H      -0.936912     -1.530067      6.472118
  H      -0.262096     -2.507106      5.313861
  H      -1.475432     -1.349890      4.875925
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.090017038411
  N      -3.304913     -4.142037      2.687753
  C      -3.326746     -5.061110      1.573250
  C      -2.521898     -6.270279      2.022031
  N      -3.152032     -6.769635      3.282157
  C      -4.314166     -7.636392      2.896771
  C      -5.546168     -7.228171      3.665301
  N      -5.560475     -5.781102      3.732975
  Mo     -3.874815     -4.907654      4.488618
  N      -1.924965     -5.300329      5.048657
  C      -1.195630     -6.502689      4.702113
  C      -2.173661     -7.507996      4.127582
  H      -0.681932     -6.957447      5.566696
  H      -0.410478     -6.281259      3.954419
  H      -2.744145     -7.976832      4.937114
  H      -1.667446     -8.288575      3.536444
  H      -6.433241     -7.624762      3.151784
  H      -5.553743     -7.668088      4.684499
  H      -4.507663     -7.470070      1.829724
  H      -4.051592     -8.694832      3.033170
  H      -2.877071     -4.641361      0.666367
  H      -4.367544     -5.363140      1.343118
  H      -1.491626     -5.957834      2.229603
  H      -2.503481     -7.081517      1.277795
  C      -2.868887     -2.776285      2.470591
  C      -4.030987     -1.863281      1.930054
  C      -3.633874     -0.433250      1.822118
  S      -3.529995      0.431429      0.434290
  C      -3.159347      0.329819      3.018190
  O      -2.562009     -0.156106      3.977257
  C      -1.625622     -2.615671      1.597027
  C      -1.659647     -2.701665      0.194626
  C      -0.500370     -2.556547     -0.563960
  C       0.734699     -2.307387      0.045120
  C       0.747311     -2.177074      1.424650
  F       1.919250     -1.902366      2.060261
  C      -0.398413     -2.317891      2.202330
  C      -6.882070     -5.141188      4.044818
  C      -7.105595     -3.884820      3.156733
  C      -6.927852     -2.568417      3.867092
  S      -7.958146     -1.262060      3.626535
  C      -5.830569     -2.407332      4.728983
  O      -4.907187     -3.313656      4.869226
  C      -8.040251     -6.114761      3.935328
  C      -8.521924     -6.735536      5.094617
  C      -9.577751     -7.647058      5.026711
  C     -10.167592     -7.960389      3.801047
  C      -9.674340     -7.334623      2.660624
  F     -10.235686     -7.625095      1.458117
  C      -8.629765     -6.420857      2.700233
  C      -1.554106     -4.457451      6.162512
  C      -2.394378     -4.835528      7.410281
  C      -3.835584     -4.975503      6.962669
  S      -4.370642     -6.501672      6.367813
  C      -4.806556     -4.012206      7.501656
  O      -6.024574     -4.056278      7.414549
  C      -0.051253     -4.421088      6.383042
  C       0.810282     -4.259037      5.274164
  C       2.186147     -4.108912      5.450606
  C       2.742621     -4.142064      6.730783
  C       1.885741     -4.319836      7.810933
  F       2.403286     -4.358681      9.058338
  C       0.506493     -4.448228      7.669920
  H      -2.626409     -2.382918      3.458857
  H      -4.860466     -1.932271      2.648048
  H      -4.394687     -2.219958      0.958034
  H      -3.298242      1.429068      2.942467
  H      -2.606106     -2.847802     -0.326285
  H      -0.557074     -2.628741     -1.650842
  H       1.655404     -2.190338     -0.525972
  H      -0.333145     -2.078202      3.259037
  H      -6.864339     -4.821890      5.101451
  H      -6.404597     -3.929652      2.304895
  H      -8.116157     -3.890894      2.733016
  H      -5.699846     -1.492481      5.317574
  H      -8.065731     -6.492681      6.056296
  H      -9.951792     -8.115869      5.937896
  H     -10.996136     -8.664250      3.721186
  H      -8.287012     -5.964248      1.770480
  H      -2.812662     -2.740816      6.488637
  H      -2.027418     -5.783847      7.828241
  H      -2.302117     -4.064707      8.194803
  H      -4.325825     -3.142480      8.036802
  H       0.400137     -4.261460      4.262240
  H       2.823999     -3.963441      4.578217
  H       3.814668     -4.035211      6.897080
  H      -0.105871     -4.573266      8.561667
  N      -2.152838     -3.055296      5.784663
  N      -1.201609     -1.998474      5.628193
  H      -0.994695     -1.481211      6.499895
  H      -0.305133     -2.447191      5.339288
  H      -1.566374     -1.335593      4.904130
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.092041819912
  N      -3.319696     -4.142982      2.690390
  C      -3.338852     -5.068972      1.581345
  C      -2.522573     -6.269064      2.033149
  N      -3.150744     -6.771033      3.292269
  C      -4.308032     -7.646912      2.912978
  C      -5.547384     -7.234246      3.670448
  N      -5.563511     -5.787064      3.731553
  Mo     -3.875342     -4.915715      4.494222
  N      -1.938922     -5.273105      5.042095
  C      -1.201409     -6.481651      4.728661
  C      -2.170032     -7.493651      4.148136
  H      -0.703991     -6.923861      5.609416
  H      -0.399833     -6.266825      3.996360
  H      -2.743722     -7.962885      4.955156
  H      -1.652187     -8.273653      3.566039
  H      -6.431740     -7.631684      3.152455
  H      -5.560360     -7.673986      4.689479
  H      -4.495290     -7.502440      1.841884
  H      -4.042165     -8.701620      3.070304
  H      -2.900813     -4.649875      0.668690
  H      -4.378098     -5.383316      1.360250
  H      -1.495186     -5.946770      2.241870
  H      -2.496545     -7.081978      1.290952
  C      -2.866688     -2.780848      2.470686
  C      -4.024084     -1.861054      1.921089
  C      -3.630286     -0.431126      1.797310
  S      -3.488703      0.409134      0.396172
  C      -3.197951      0.361315      2.990692
  O      -2.598251     -0.091127      3.965484
  C      -1.627623     -2.628144      1.596023
  C      -1.661054     -2.725446      0.194707
  C      -0.499030     -2.579014     -0.561351
  C       0.731226     -2.317166      0.048629
  C       0.742140     -2.177369      1.428452
  F       1.908183     -1.881504      2.062071
  C      -0.405107     -2.320226      2.202919
  C      -6.880444     -5.140511      4.046958
  C      -7.097002     -3.877152      3.167258
  C      -6.922707     -2.562990      3.886945
  S      -7.953026     -1.257012      3.654938
  C      -5.820795     -2.409674      4.747000
  O      -4.904565     -3.321532      4.874506
  C      -8.041837     -6.108457      3.926146
  C      -8.538127     -6.727265      5.079926
  C      -9.597301     -7.634155      4.999927
  C     -10.175307     -7.944547      3.767849
  C      -9.666880     -7.320501      2.632961
  F     -10.216377     -7.607989      1.424218
  C      -8.618884     -6.411214      2.684499
  C      -1.566775     -4.435746      6.166348
  C      -2.381226     -4.881113      7.408682
  C      -3.824334     -5.002837      6.975214
  S      -4.375913     -6.514069      6.366892
  C      -4.790204     -4.051771      7.539062
  O      -6.009513     -4.100244      7.461422
  C      -0.059689     -4.391425      6.374033
  C       0.790313     -4.220414      5.261118
  C       2.170849     -4.091792      5.428357
  C       2.738748     -4.143287      6.700938
  C       1.888087     -4.321216      7.786974
  F       2.415887     -4.380533      9.028761
  C       0.506842     -4.435817      7.655853
  H      -2.621362     -2.384861      3.457870
  H      -4.855143     -1.926720      2.637126
  H      -4.380243     -2.228899      0.950292
  H      -3.349008      1.456157      2.883368
  H      -2.605938     -2.878127     -0.326722
  H      -0.551226     -2.657964     -1.648023
  H       1.650527     -2.196859     -0.524013
  H      -0.342109     -2.078629      3.260813
  H      -6.864701     -4.830099      5.106793
  H      -6.392803     -3.917384      2.318117
  H      -8.105273     -3.879789      2.738235
  H      -5.688709     -1.495456      5.336813
  H      -8.091578     -6.487220      6.046712
  H      -9.983132     -8.101717      5.906786
  H     -11.005895     -8.644772      3.678886
  H      -8.264039     -5.955691      1.758821
  H      -2.813632     -2.752435      6.492960
  H      -1.999357     -5.845155      7.772497
  H      -2.280395     -4.139875      8.219446
  H      -4.301196     -3.192052      8.082197
  H       0.369174     -4.215530      4.254341
  H       2.806864     -3.955172      4.553140
  H       3.813493     -4.053815      6.858606
  H      -0.098325     -4.566958      8.551482
  N      -2.129099     -3.060258      5.811127
  N      -1.186239     -1.984396      5.641232
  H      -0.980825     -1.468819      6.513716
  H      -0.287398     -2.422672      5.342579
  H      -1.555250     -1.313488      4.924851
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.093405266326
  N      -3.344182     -4.151871      2.677333
  C      -3.349727     -5.084162      1.573583
  C      -2.523790     -6.274209      2.035146
  N      -3.153483     -6.776276      3.292481
  C      -4.308845     -7.656495      2.914947
  C      -5.552794     -7.238630      3.662574
  N      -5.567724     -5.791168      3.720577
  Mo     -3.881192     -4.918915      4.483854
  N      -1.937843     -5.251285      5.020372
  C      -1.202331     -6.470916      4.736658
  C      -2.169917     -7.488896      4.153860
  H      -0.722901     -6.900823      5.633452
  H      -0.384300     -6.271212      4.017637
  H      -2.743333     -7.960194      4.959489
  H      -1.645491     -8.267316      3.575168
  H      -6.435274     -7.633931      3.139438
  H      -5.572987     -7.678711      4.681315
  H      -4.489510     -7.526973      1.841046
  H      -4.043222     -8.708776      3.087886
  H      -2.915565     -4.666046      0.658596
  H      -4.386047     -5.409010      1.355188
  H      -1.501044     -5.940508      2.248754
  H      -2.485455     -7.090159      1.296820
  C      -2.871000     -2.795479      2.463106
  C      -4.011724     -1.840423      1.941031
  C      -3.587320     -0.416086      1.882681
  S      -3.385448      0.475819      0.521235
  C      -3.155305      0.312509      3.116023
  O      -2.600658     -0.199440      4.090023
  C      -1.635461     -2.658237      1.580948
  C      -1.671336     -2.767954      0.181075
  C      -0.507366     -2.629551     -0.576193
  C       0.721446     -2.362304      0.032039
  C       0.734344     -2.210873      1.411218
  F       1.899462     -1.901701      2.039203
  C      -0.412945     -2.347844      2.185035
  C      -6.881963     -5.141776      4.037616
  C      -7.095232     -3.878997      3.156814
  C      -6.926970     -2.565705      3.877333
  S      -7.959517     -1.260958      3.644577
  C      -5.827470     -2.414747      4.738620
  O      -4.906535     -3.324212      4.868976
  C      -8.045925     -6.106235      3.915325
  C      -8.554577     -6.712700      5.070132
  C      -9.617664     -7.615040      4.988752
  C     -10.186797     -7.933196      3.754654
  C      -9.665725     -7.321390      2.618778
  F     -10.206552     -7.616803      1.407955
  C      -8.613868     -6.416624      2.671344
  C      -1.563319     -4.422986      6.155132
  C      -2.374010     -4.878562      7.391276
  C      -3.817305     -5.005274      6.968315
  S      -4.377958     -6.511076      6.352303
  C      -4.777273     -4.058784      7.540630
  O      -5.997357     -4.094850      7.450948
  C      -0.056095     -4.351926      6.357830
  C       0.787965     -4.173678      5.244401
  C       2.169374     -4.039937      5.410813
  C       2.738384     -4.085168      6.682351
  C       1.889236     -4.264535      7.769928
  F       2.418442     -4.319662      9.010445
  C       0.509158     -4.388585      7.638435
  H      -2.610924     -2.414779      3.452894
  H      -4.845375     -1.920357      2.652615
  H      -4.367308     -2.166183      0.955154
  H      -3.327652      1.408491      3.077768
  H      -2.616723     -2.924957     -0.337960
  H      -0.557882     -2.717034     -1.662215
  H       1.639418     -2.245242     -0.543466
  H      -0.356173     -2.103630      3.242866
  H      -6.866119     -4.834061      5.098358
  H      -6.386867     -3.918601      2.311593
  H      -8.100937     -3.883674      2.721949
  H      -5.700476     -1.499712      5.328596
  H      -8.114805     -6.466922      6.038492
  H     -10.013330     -8.073017      5.896257
  H     -11.019942     -8.630180      3.664726
  H      -8.249668     -5.969941      1.745099
  H      -2.824700     -2.757810      6.514331
  H      -1.985471     -5.847048      7.735616
  H      -2.267374     -4.151642      8.214070
  H      -4.282632     -3.196283      8.073583
  H       0.364014     -4.178550      4.238488
  H       2.807853     -3.908741      4.536814
  H       3.812920     -3.991907      6.838557
  H      -0.094404     -4.524939      8.534611
  N      -2.137123     -3.064384      5.821795
  N      -1.190003     -1.986869      5.643420
  H      -0.981200     -1.467811      6.512591
  H      -0.293228     -2.421537      5.335809
  H      -1.570718     -1.319009      4.928129
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.094879642110
  N      -3.364285     -4.150983      2.673435
  C      -3.362622     -5.094300      1.578736
  C      -2.522772     -6.272863      2.046865
  N      -3.150552     -6.778361      3.303241
  C      -4.301386     -7.666383      2.931433
  C      -5.552506     -7.240881      3.665274
  N      -5.566361     -5.794618      3.712564
  Mo     -3.884907     -4.912724      4.484674
  N      -1.931030     -5.235250      5.007798
  C      -1.204822     -6.468209      4.754558
  C      -2.166700     -7.487220      4.165210
  H      -0.747855     -6.889744      5.667212
  H      -0.368211     -6.285828      4.052403
  H      -2.740972     -7.963378      4.967145
  H      -1.637505     -8.262898      3.587067
  H      -6.430541     -7.637472      3.135378
  H      -5.583168     -7.676786      4.685789
  H      -4.473661     -7.559713      1.853632
  H      -4.034677     -8.714324      3.127565
  H      -2.940608     -4.679778      0.657269
  H      -4.395973     -5.435194      1.371487
  H      -1.504372     -5.927818      2.263840
  H      -2.473507     -7.089589      1.309685
  C      -2.875274     -2.800273      2.458322
  C      -4.012720     -1.838065      1.937615
  C      -3.585927     -0.414792      1.891205
  S      -3.330263      0.477723      0.539733
  C      -3.203737      0.316954      3.138869
  O      -2.643162     -0.185612      4.114338
  C      -1.640464     -2.666388      1.574691
  C      -1.670994     -2.783785      0.175286
  C      -0.503739     -2.646460     -0.577039
  C       0.721656     -2.371442      0.034615
  C       0.728350     -2.209178      1.412548
  F       1.889590     -1.892062      2.043053
  C      -0.422699     -2.344144      2.181460
  C      -6.877479     -5.141368      4.032582
  C      -7.088478     -3.875607      3.154861
  C      -6.926807     -2.563802      3.879293
  S      -7.965209     -1.263311      3.647467
  C      -5.827642     -2.407179      4.740681
  O      -4.904559     -3.313171      4.874078
  C      -8.044205     -6.102339      3.905635
  C      -8.565002     -6.702020      5.058335
  C      -9.630458     -7.601250      4.971301
  C     -10.189442     -7.923001      3.733615
  C      -9.656154     -7.317928      2.599733
  F     -10.186769     -7.617335      1.385371
  C      -8.602003     -6.416242      2.657859
  C      -1.558236     -4.420773      6.155380
  C      -2.361630     -4.899012      7.385663
  C      -3.807764     -5.005050      6.968109
  S      -4.386085     -6.502611      6.347327
  C      -4.755567     -4.045265      7.537754
  O      -5.976885     -4.074659      7.463616
  C      -0.051335     -4.349653      6.351546
  C       0.784631     -4.172302      5.232057
  C       2.167296     -4.039793      5.387722
  C       2.746263     -4.088201      6.654581
  C       1.904770     -4.269897      7.748012
  F       2.443714     -4.328369      8.984613
  C       0.523810     -4.391976      7.627776
  H      -2.612015     -2.421964      3.448654
  H      -4.850368     -1.923084      2.643942
  H      -4.360825     -2.157703      0.947062
  H      -3.379455      1.412027      3.093749
  H      -2.613184     -2.945753     -0.347882
  H      -0.549245     -2.740993     -1.662726
  H       1.641981     -2.255432     -0.537404
  H      -0.374477     -2.098414      3.239471
  H      -6.861359     -4.837624      5.094397
  H      -6.376108     -3.912032      2.313048
  H      -8.091928     -3.881133      2.714702
  H      -5.705807     -1.490040      5.328418
  H      -8.132920     -6.454204      6.029630
  H     -10.035647     -8.054094      5.877198
  H     -11.023897     -8.617855      3.639249
  H      -8.228383     -5.974100      1.733125
  H      -2.819011     -2.756961      6.553304
  H      -1.978423     -5.880445      7.698854
  H      -2.243445     -4.195253      8.226475
  H      -4.249495     -3.203242      8.092990
  H       0.351231     -4.179616      4.229926
  H       2.798187     -3.908297      4.508337
  H       3.821979     -3.996969      6.803541
  H      -0.072727     -4.529401      8.528471
  N      -2.145100     -3.048780      5.841648
  N      -1.203587     -1.967995      5.659948
  H      -0.995799     -1.446814      6.527811
  H      -0.306283     -2.392676      5.341778
  H      -1.600933     -1.304978      4.948181
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.095852546809
  N      -3.384292     -4.143895      2.671873
  C      -3.372564     -5.097373      1.585661
  C      -2.520526     -6.263966      2.060625
  N      -3.149870     -6.775573      3.312986
  C      -4.295919     -7.669332      2.942004
  C      -5.555120     -7.238712      3.660432
  N      -5.566736     -5.793755      3.701991
  Mo     -3.891516     -4.904207      4.486181
  N      -1.924414     -5.217881      4.996263
  C      -1.209673     -6.465537      4.769808
  C      -2.166880     -7.483934      4.173096
  H      -0.777645     -6.880526      5.697674
  H      -0.354496     -6.302086      4.086497
  H      -2.741075     -7.968154      4.970193
  H      -1.633628     -8.254782      3.592055
  H      -6.427865     -7.634832      3.121417
  H      -5.598992     -7.673087      4.681355
  H      -4.456116     -7.581901      1.860502
  H      -4.029798     -8.713330      3.158610
  H      -2.959760     -4.686875      0.658572
  H      -4.402932     -5.451313      1.386827
  H      -1.507963     -5.906329      2.285026
  H      -2.457061     -7.080310      1.323618
  C      -2.878914     -2.799928      2.456186
  C      -4.014451     -1.840459      1.920700
  C      -3.588340     -0.418961      1.862610
  S      -3.280071      0.451561      0.508619
  C      -3.244018      0.332410      3.107541
  O      -2.677951     -0.150787      4.089297
  C      -1.641105     -2.671815      1.576334
  C      -1.664681     -2.798292      0.177928
  C      -0.494179     -2.662143     -0.570274
  C       0.726850     -2.377804      0.045221
  C       0.726562     -2.205022      1.422022
  F       1.884024     -1.879245      2.055702
  C      -0.427044     -2.339304      2.186104
  C      -6.876326     -5.141711      4.030334
  C      -7.089665     -3.871047      3.159716
  C      -6.934777     -2.562673      3.891512
  S      -7.981353     -1.266968      3.668065
  C      -5.834901     -2.401999      4.750714
  O      -4.905817     -3.301678      4.886465
  C      -8.045062     -6.100225      3.898366
  C      -8.573312     -6.698620      5.048193
  C      -9.640311     -7.595683      4.955513
  C     -10.193010     -7.916574      3.714986
  C      -9.652360     -7.312673      2.583867
  F     -10.176680     -7.611914      1.366749
  C      -8.596993     -6.412948      2.647511
  C      -1.552441     -4.419692      6.157796
  C      -2.346817     -4.923544      7.382591
  C      -3.798395     -5.009571      6.975696
  S      -4.394381     -6.493456      6.339026
  C      -4.731453     -4.047503      7.563327
  O      -5.952733     -4.050434      7.480861
  C      -0.044522     -4.350570      6.345258
  C       0.782976     -4.165185      5.220648
  C       2.166809     -4.034372      5.365969
  C       2.755070     -4.093575      6.628525
  C       1.921977     -4.284252      7.727066
  F       2.471239     -4.353212      8.958728
  C       0.540044     -4.405548      7.616516
  H      -2.617826     -2.417364      3.447028
  H      -4.856348     -1.923255      2.621814
  H      -4.351232     -2.169474      0.929404
  H      -3.454898      1.420983      3.057658
  H      -2.603807     -2.965491     -0.349211
  H      -0.534127     -2.764398     -1.655446
  H       1.649586     -2.262533     -0.523154
  H      -0.385994     -2.095084      3.244650
  H      -6.857948     -4.845787      5.094317
  H      -6.375139     -3.900498      2.319601
  H      -8.091664     -3.878950      2.716072
  H      -5.718043     -1.484406      5.338680
  H      -8.145732     -6.452167      6.021823
  H     -10.051304     -8.047591      5.859290
  H     -11.028162     -8.610000      3.616179
  H      -8.218101     -5.970604      1.724949
  H      -2.800762     -2.755831      6.606262
  H      -1.968068     -5.915972      7.665642
  H      -2.215716     -4.245508      8.241992
  H      -4.211254     -3.208225      8.110072
  H       0.339743     -4.163604      4.222929
  H       2.791376     -3.895399      4.482926
  H       3.831903     -4.003949      6.770485
  H      -0.049279     -4.550834      8.520787
  N      -2.151290     -3.039210      5.867562
  N      -1.212824     -1.956824      5.688873
  H      -1.006606     -1.438397      6.558135
  H      -0.315204     -2.369822      5.358417
  H      -1.626573     -1.294480      4.984826
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.096554199982
  N      -3.405244     -4.142678      2.663504
  C      -3.385547     -5.102497      1.582561
  C      -2.522063     -6.257805      2.063077
  N      -3.151037     -6.774376      3.313123
  C      -4.292511     -7.673884      2.942594
  C      -5.557865     -7.239483      3.648093
  N      -5.567114     -5.794885      3.686569
  Mo     -3.896695     -4.902306      4.480147
  N      -1.920390     -5.199428      4.977955
  C      -1.213250     -6.459445      4.775557
  C      -2.165284     -7.479530      4.170959
  H      -0.806381     -6.867669      5.717822
  H      -0.340716     -6.310338      4.112211
  H      -2.735776     -7.975125      4.963601
  H      -1.626012     -8.242606      3.584976
  H      -6.426658     -7.634534      3.101926
  H      -5.612890     -7.673619      4.668822
  H      -4.442077     -7.602651      1.858407
  H      -4.026765     -8.714305      3.176101
  H      -2.980617     -4.695441      0.650477
  H      -4.414160     -5.464627      1.391055
  H      -1.515841     -5.886710      2.293762
  H      -2.443909     -7.074179      1.327162
  C      -2.879659     -2.806739      2.452455
  C      -4.007957     -1.828312      1.929729
  C      -3.567873     -0.410452      1.894289
  S      -3.211426      0.468434      0.558135
  C      -3.245711      0.330815      3.150167
  O      -2.657552     -0.152504      4.119442
  C      -1.642228     -2.692662      1.569880
  C      -1.663783     -2.830912      0.173029
  C      -0.490996     -2.703883     -0.574596
  C       0.728654     -2.414977      0.040950
  C       0.726382     -2.228510      1.416232
  F       1.883402     -1.897644      2.048788
  C      -0.428376     -2.355526      2.178266
  C      -6.875572     -5.145567      4.026388
  C      -7.091597     -3.870027      3.163563
  C      -6.941614     -2.565888      3.903240
  S      -7.995827     -1.274263      3.692487
  C      -5.840595     -2.406072      4.759873
  O      -4.904867     -3.300431      4.893909
  C      -8.047262     -6.100814      3.891662
  C      -8.581364     -6.696304      5.040212
  C      -9.651628     -7.589403      4.944926
  C     -10.201428     -7.909374      3.703060
  C      -9.654922     -7.308345      2.573128
  F     -10.176455     -7.607169      1.354683
  C      -8.596693     -6.412311      2.639239
  C      -1.551901     -4.416759      6.151548
  C      -2.342184     -4.936175      7.372029
  C      -3.795109     -5.015136      6.968301
  S      -4.399794     -6.489759      6.319033
  C      -4.721313     -4.049668      7.557412
  O      -5.943854     -4.051308      7.487099
  C      -0.042836     -4.336688      6.335302
  C       0.779475     -4.148657      5.208502
  C       2.162586     -4.005051      5.350907
  C       2.752619     -4.055670      6.613229
  C       1.923703     -4.250555      7.714338
  F       2.476250     -4.310970      8.944526
  C       0.542448     -4.384569      7.605402
  H      -2.609983     -2.432121      3.444092
  H      -4.849890     -1.918607      2.629678
  H      -4.342363     -2.140457      0.932300
  H      -3.467716      1.417387      3.111151
  H      -2.602325     -3.000912     -0.354333
  H      -0.528212     -2.816425     -1.658772
  H       1.652123     -2.306515     -0.527665
  H      -0.391493     -2.108708      3.235836
  H      -6.853321     -4.858354      5.092658
  H      -6.375602     -3.892332      2.324646
  H      -8.092367     -3.879645      2.717132
  H      -5.727206     -1.489994      5.350894
  H      -8.155958     -6.450756      6.015000
  H     -10.067251     -8.038815      5.847847
  H     -11.038743     -8.599882      3.602194
  H      -8.214048     -5.971082      1.717690
  H      -2.783308     -2.756139      6.643480
  H      -1.963363     -5.932750      7.640122
  H      -2.206534     -4.273231      8.242040
  H      -4.197596     -3.230578      8.131127
  H       0.331766     -4.151814      4.212864
  H       2.786480     -3.861826      4.467965
  H       3.828877     -3.955827      6.753060
  H      -0.044081     -4.533179      8.510967
  N      -2.154976     -3.036718      5.883964
  N      -1.215626     -1.951679      5.702327
  H      -1.009437     -1.434174      6.571815
  H      -0.318704     -2.356578      5.361768
  H      -1.640133     -1.288142      5.004754
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.096924861588
  N      -3.421939     -4.139067      2.655490
  C      -3.403171     -5.107116      1.581387
  C      -2.527973     -6.251121      2.065755
  N      -3.152481     -6.771486      3.316472
  C      -4.288213     -7.679942      2.949504
  C      -5.561018     -7.242346      3.640863
  N      -5.570137     -5.797979      3.673026
  Mo     -3.903142     -4.898679      4.477181
  N      -1.920863     -5.178969      4.963891
  C      -1.217885     -6.447974      4.784018
  C      -2.160570     -7.470884      4.170398
  H      -0.834869     -6.848943      5.739402
  H      -0.330281     -6.307220      4.140360
  H      -2.724788     -7.981047      4.958323
  H      -1.613688     -8.223445      3.577735
  H      -6.424710     -7.639086      3.087517
  H      -5.627583     -7.674407      4.661982
  H      -4.427824     -7.628109      1.862873
  H      -4.021095     -8.715513      3.202127
  H      -3.009880     -4.706963      0.641679
  H      -4.431577     -5.475963      1.402396
  H      -1.527330     -5.866632      2.299271
  H      -2.437143     -7.068020      1.331601
  C      -2.874342     -2.812151      2.446638
  C      -3.994988     -1.814923      1.936897
  C      -3.543453     -0.400727      1.934099
  S      -3.121170      0.491130      0.626850
  C      -3.261455      0.327065      3.207915
  O      -2.694214     -0.166261      4.184822
  C      -1.638227     -2.709942      1.561488
  C      -1.659010     -2.857307      0.165791
  C      -0.484504     -2.743616     -0.581818
  C       0.736088     -2.457077      0.032661
  C       0.732742     -2.256567      1.406174
  F       1.890494     -1.925623      2.037681
  C      -0.423521     -2.370126      2.167171
  C      -6.877963     -5.150397      4.020548
  C      -7.094564     -3.870278      3.164050
  C      -6.951243     -2.568553      3.910473
  S      -8.012871     -1.282576      3.709569
  C      -5.848144     -2.406952      4.765273
  O      -4.909443     -3.297671      4.894540
  C      -8.051413     -6.103366      3.882227
  C      -8.594102     -6.693612      5.029364
  C      -9.666994     -7.583350      4.930656
  C     -10.210493     -7.905478      3.686640
  C      -9.655171     -7.309879      2.558002
  F     -10.170648     -7.610917      1.337506
  C      -8.594550     -6.417056      2.627503
  C      -1.553044     -4.411421      6.146367
  C      -2.333468     -4.954837      7.362843
  C      -3.789875     -5.018835      6.966687
  S      -4.408956     -6.482317      6.307863
  C      -4.705974     -4.052927      7.570520
  O      -5.928555     -4.042627      7.502318
  C      -0.043070     -4.326735      6.324097
  C       0.775267     -4.146656      5.193048
  C       2.157852     -3.993151      5.330341
  C       2.750831     -4.028004      6.591995
  C       1.926473     -4.217502      7.697325
  F       2.483392     -4.262971      8.926081
  C       0.545510     -4.360677      7.593231
  H      -2.595764     -2.445513      3.438864
  H      -4.840267     -1.917148      2.630748
  H      -4.321386     -2.105885      0.930316
  H      -3.526888      1.404508      3.193952
  H      -2.597842     -3.024756     -0.361891
  H      -0.521077     -2.865380     -1.665001
  H       1.660569     -2.359768     -0.536368
  H      -0.387304     -2.116129      3.222883
  H      -6.854326     -4.869210      5.088427
  H      -6.374551     -3.885510      2.328387
  H      -8.092937     -3.881571      2.712495
  H      -5.736517     -1.491428      5.357713
  H      -8.173904     -6.446244      6.005958
  H     -10.089553     -8.028204      5.832633
  H     -11.049524     -8.593500      3.583014
  H      -8.205397     -5.979426      1.706938
  H      -2.762369     -2.742777      6.673658
  H      -1.956199     -5.956711      7.611227
  H      -2.191761     -4.307840      8.243436
  H      -4.173694     -3.240880      8.146250
  H       0.322551     -4.161423      4.199910
  H       2.779723     -3.853508      4.445433
  H       3.826825     -3.920125      6.728224
  H      -0.037697     -4.504086      8.501803
  N      -2.154560     -3.021957      5.897738
  N      -1.215917     -1.933524      5.710785
  H      -1.011236     -1.416069      6.580565
  H      -0.318935     -2.332364      5.363351
  H      -1.641771     -1.265570      5.017685
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097124709680
  N      -3.439156     -4.140369      2.653592
  C      -3.420228     -5.110657      1.581077
  C      -2.536873     -6.247527      2.066444
  N      -3.157678     -6.770872      3.318235
  C      -4.289113     -7.685147      2.950677
  C      -5.567234     -7.245574      3.630793
  N      -5.574283     -5.800735      3.663558
  Mo     -3.910790     -4.901321      4.478778
  N      -1.920263     -5.168000      4.953005
  C      -1.222390     -6.443586      4.785115
  C      -2.159311     -7.467763      4.166116
  H      -0.854540     -6.841698      5.747521
  H      -0.326829     -6.306358      4.152903
  H      -2.715996     -7.991157      4.950768
  H      -1.607889     -8.210229      3.564907
  H      -6.426765     -7.640475      3.069404
  H      -5.645563     -7.678557      4.650662
  H      -4.420536     -7.643122      1.862502
  H      -4.021376     -8.717835      3.213607
  H      -3.035559     -4.713156      0.636912
  H      -4.448699     -5.483081      1.411016
  H      -1.540593     -5.852942      2.302625
  H      -2.435788     -7.064578      1.333868
  C      -2.875424     -2.819908      2.448848
  C      -3.988710     -1.811866      1.937684
  C      -3.525034     -0.402842      1.948659
  S      -3.040059      0.484172      0.660070
  C      -3.279590      0.326833      3.228116
  O      -2.692716     -0.152771      4.200510
  C      -1.637980     -2.726696      1.565266
  C      -1.656237     -2.877529      0.170024
  C      -0.479444     -2.775418     -0.575054
  C       0.742571     -2.497862      0.041570
  C       0.737176     -2.292684      1.414295
  F       1.896585     -1.973420      2.049163
  C      -0.422201     -2.392954      2.172043
  C      -6.882140     -5.155377      4.018336
  C      -7.095271     -3.869139      3.170275
  C      -6.957064     -2.572873      3.927319
  S      -8.023111     -1.289336      3.736537
  C      -5.855678     -2.413940      4.785193
  O      -4.912441     -3.300457      4.909942
  C      -8.057817     -6.104524      3.872964
  C      -8.611656     -6.690579      5.016898
  C      -9.688781     -7.574501      4.911964
  C     -10.225360     -7.895170      3.664581
  C      -9.658915     -7.303899      2.539125
  F     -10.167690     -7.603525      1.315438
  C      -8.594052     -6.416810      2.614900
  C      -1.547455     -4.405166      6.139019
  C      -2.321525     -4.960922      7.355214
  C      -3.782019     -5.025374      6.968859
  S      -4.407016     -6.482821      6.302148
  C      -4.694231     -4.063612      7.583896
  O      -5.916509     -4.046167      7.512397
  C      -0.034720     -4.315844      6.309551
  C       0.777058     -4.126394      5.174716
  C       2.157252     -3.951779      5.306089
  C       2.755612     -3.977004      6.565713
  C       1.939335     -4.176382      7.675047
  F       2.502064     -4.211445      8.901470
  C       0.559628     -4.337946      7.576989
  H      -2.593462     -2.455653      3.441512
  H      -4.838943     -1.916908      2.624359
  H      -4.305471     -2.093755      0.925315
  H      -3.559688      1.400385      3.212757
  H      -2.595077     -3.038228     -0.359791
  H      -0.514526     -2.900545     -1.657893
  H       1.669182     -2.411718     -0.525750
  H      -0.389168     -2.137667      3.227320
  H      -6.858050     -4.882014      5.088187
  H      -6.368495     -3.876792      2.340166
  H      -8.090040     -3.878395      2.711010
  H      -5.746470     -1.501886      5.383497
  H      -8.197174     -6.443924      5.996132
  H     -10.120010     -8.015750      5.811594
  H     -11.067404     -8.578706      3.555849
  H      -8.196309     -5.982014      1.696643
  H      -2.745123     -2.754578      6.707463
  H      -1.938965     -5.962870      7.594464
  H      -2.177707     -4.322021      8.241628
  H      -4.160073     -3.250776      8.156899
  H       0.319242     -4.143814      4.184249
  H       2.773266     -3.800305      4.418870
  H       3.830485     -3.852310      6.696884
  H      -0.017666     -4.486168      8.488545
  N      -2.153455     -3.027736      5.924826
  N      -1.216412     -1.937055      5.738271
  H      -1.009703     -1.423393      6.609768
  H      -0.320473     -2.330153      5.382175
  H      -1.647938     -1.264359      5.053017
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.091601824790
  N      -3.454778     -4.139470      2.651851
  C      -3.441065     -5.106530      1.576426
  C      -2.547297     -6.236394      2.057731
  N      -3.158058     -6.760873      3.315330
  C      -4.284698     -7.682902      2.946956
  C      -5.567030     -7.245269      3.619327
  N      -5.574134     -5.798718      3.657088
  Mo     -3.914049     -4.903785      4.483745
  N      -1.916909     -5.151344      4.954958
  C      -1.215734     -6.425212      4.776750
  C      -2.144874     -7.452468      4.151011
  H      -0.852507     -6.829496      5.737921
  H      -0.320374     -6.274352      4.148498
  H      -2.686353     -7.996499      4.932415
  H      -1.587742     -8.177809      3.534384
  H      -6.422680     -7.638404      3.050452
  H      -5.655877     -7.680321      4.637156
  H      -4.411825     -7.643222      1.858041
  H      -4.013122     -8.713647      3.212321
  H      -3.068173     -4.708539      0.627723
  H      -4.470651     -5.480500      1.418150
  H      -1.554670     -5.830416      2.291384
  H      -2.437695     -7.054793      1.328440
  C      -2.883330     -2.822655      2.445315
  C      -3.995027     -1.808161      1.934830
  C      -3.515299     -0.406108      1.941464
  S      -2.981486      0.463196      0.659467
  C      -3.285788      0.338261      3.214185
  O      -2.648575     -0.110362      4.169985
  C      -1.653093     -2.742449      1.550993
  C      -1.684424     -2.899857      0.156646
  C      -0.513281     -2.820367     -0.598083
  C       0.719986     -2.563245      0.007289
  C       0.728882     -2.353832      1.378944
  F       1.899299     -2.059032      2.005948
  C      -0.426782     -2.427559      2.145578
  C      -6.884291     -5.158361      4.017619
  C      -7.090237     -3.864675      3.179971
  C      -6.958453     -2.576991      3.952439
  S      -8.027957     -1.294834      3.773929
  C      -5.863125     -2.426087      4.819850
  O      -4.913786     -3.307651      4.935736
  C      -8.060997     -6.103693      3.861401
  C      -8.627843     -6.687339      5.000250
  C      -9.709698     -7.564167      4.886226
  C     -10.238374     -7.880248      3.634204
  C      -9.659168     -7.291475      2.513918
  F     -10.160308     -7.586307      1.285861
  C      -8.589280     -6.411497      2.598986
  C      -1.539873     -4.400230      6.154373
  C      -2.311929     -4.978794      7.362594
  C      -3.774292     -5.043895      6.979491
  S      -4.398678     -6.491747      6.293154
  C      -4.687866     -4.095978      7.612570
  O      -5.909621     -4.077033      7.535001
  C      -0.023355     -4.308778      6.327553
  C       0.788547     -4.083361      5.198182
  C       2.163826     -3.883982      5.336132
  C       2.759934     -3.920511      6.596817
  C       1.946456     -4.154240      7.700968
  F       2.506759     -4.199616      8.928142
  C       0.569515     -4.338267      7.597086
  H      -2.589780     -2.454907      3.433871
  H      -4.843121     -1.908910      2.623786
  H      -4.313216     -2.088934      0.922366
  H      -3.575751      1.408692      3.188285
  H      -2.630066     -3.047732     -0.364781
  H      -0.559992     -2.949850     -1.679977
  H       1.643135     -2.498199     -0.568236
  H      -0.384271     -2.167942      3.198757
  H      -6.862193     -4.893876      5.089643
  H      -6.351863     -3.862573      2.359688
  H      -8.079201     -3.868964      2.708682
  H      -5.757422     -1.522142      5.430971
  H      -8.219960     -6.443390      5.982958
  H     -10.150773     -8.003258      5.782075
  H     -11.083917     -8.558170      3.517923
  H      -8.181361     -5.978333      1.684419
  H      -2.746584     -2.804669      6.838046
  H      -1.921169     -5.980437      7.588657
  H      -2.172591     -4.353401      8.260242
  H      -4.158885     -3.287807      8.196857
  H       0.333185     -4.084489      4.206994
  H       2.777701     -3.700579      4.453184
  H       3.831999     -3.776060      6.731382
  H      -0.006608     -4.511097      8.505020
  N      -2.129256     -3.027650      5.939194
  N      -1.197440     -1.934445      5.750246
  H      -0.975751     -1.431638      6.624561
  H      -0.305446     -2.323806      5.380711
  H      -1.632740     -1.250322      5.079225
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.095827914431
  N      -3.454846     -4.134289      2.656141
  C      -3.439103     -5.099290      1.579205
  C      -2.545817     -6.231070      2.058275
  N      -3.156023     -6.756182      3.315983
  C      -4.282395     -7.678928      2.949614
  C      -5.562890     -7.243160      3.625751
  N      -5.572298     -5.797032      3.660780
  Mo     -3.914780     -4.899679      4.487492
  N      -1.916400     -5.152198      4.957353
  C      -1.212177     -6.422156      4.772100
  C      -2.143056     -7.449475      4.149357
  H      -0.841447     -6.827278      5.730065
  H      -0.320628     -6.268972      4.138151
  H      -2.684677     -7.991947      4.931674
  H      -1.587590     -8.175736      3.532339
  H      -6.419426     -7.638324      3.059849
  H      -5.647418     -7.676142      4.644859
  H      -4.413422     -7.637630      1.861363
  H      -4.008683     -8.709654      3.212926
  H      -3.064792     -4.697662      0.632142
  H      -4.467901     -5.474167      1.418274
  H      -1.552085     -5.827089      2.290310
  H      -2.438726     -7.049097      1.328204
  C      -2.890888     -2.814702      2.447916
  C      -4.004437     -1.803592      1.935797
  C      -3.526884     -0.400407      1.940125
  S      -3.006602      0.471596      0.654328
  C      -3.280923      0.339335      3.212673
  O      -2.638335     -0.114429      4.162572
  C      -1.658113     -2.735883      1.556964
  C      -1.682813     -2.906046      0.163898
  C      -0.507549     -2.832323     -0.585350
  C       0.722545     -2.570402      0.024260
  C       0.724696     -2.349776      1.394180
  F       1.892216     -2.051450      2.024999
  C      -0.435191     -2.415570      2.155374
  C      -6.883401     -5.157986      4.017383
  C      -7.091067     -3.866165      3.177358
  C      -6.963360     -2.577860      3.948562
  S      -8.034942     -1.297531      3.767013
  C      -5.869720     -2.425317      4.817107
  O      -4.919667     -3.306613      4.934091
  C      -8.057765     -6.105723      3.860921
  C      -8.622990     -6.691321      4.999542
  C      -9.702288     -7.571197      4.884977
  C     -10.230156     -7.888014      3.632831
  C      -9.652836     -7.296908      2.512861
  F     -10.153062     -7.592583      1.284656
  C      -8.585333     -6.414009      2.598367
  C      -1.532412     -4.403236      6.153041
  C      -2.312288     -4.967421      7.363459
  C      -3.772234     -5.034282      6.974256
  S      -4.396689     -6.488261      6.298356
  C      -4.687374     -4.077561      7.591370
  O      -5.910497     -4.074502      7.531684
  C      -0.016090     -4.325819      6.325044
  C       0.795950     -4.117248      5.193523
  C       2.173397     -3.928607      5.328146
  C       2.770698     -3.960362      6.588120
  C       1.955783     -4.179255      7.694517
  F       2.516508     -4.220452      8.921607
  C       0.577324     -4.351646      7.593440
  H      -2.600751     -2.444383      3.436498
  H      -4.851638     -1.903426      2.626467
  H      -4.325075     -2.086266      0.924855
  H      -3.577837      1.408055      3.196582
  H      -2.625620     -3.061450     -0.360408
  H      -0.548463     -2.971195     -1.666309
  H       1.648789     -2.510732     -0.546837
  H      -0.397011     -2.144930      3.206061
  H      -6.862967     -4.891803      5.089074
  H      -6.351710     -3.863865      2.358321
  H      -8.079657     -3.872807      2.705077
  H      -5.766932     -1.521618      5.428798
  H      -8.215362     -6.447244      5.982287
  H     -10.141888     -8.012349      5.780528
  H     -11.073688     -8.568363      3.516241
  H      -8.178749     -5.979113      1.684021
  H      -2.694385     -2.824021      6.787581
  H      -1.925849     -5.968454      7.600235
  H      -2.174218     -4.333828      8.255368
  H      -4.160992     -3.283371      8.196977
  H       0.339944     -4.123800      4.202553
  H       2.786962     -3.757012      4.442438
  H       3.844016     -3.824131      6.720701
  H       0.000282     -4.512314      8.503115
  N      -2.151545     -2.987702      5.945753
  N      -1.231733     -1.886946      5.752065
  H      -1.013559     -1.378788      6.623972
  H      -0.334592     -2.272550      5.391225
  H      -1.669048     -1.212690      5.072408
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.091739898932
  N      -3.449222     -4.133618      2.652609
  C      -3.436174     -5.104565      1.580618
  C      -2.542641     -6.236593      2.061791
  N      -3.153395     -6.762508      3.318234
  C      -4.279419     -7.686566      2.957345
  C      -5.561400     -7.248267      3.631874
  N      -5.573417     -5.803836      3.657776
  Mo     -3.913828     -4.901789      4.482495
  N      -1.921669     -5.147243      4.948525
  C      -1.212985     -6.417118      4.779413
  C      -2.143019     -7.450608      4.159601
  H      -0.840832     -6.810380      5.742397
  H      -0.319281     -6.273249      4.145283
  H      -2.689969     -7.985664      4.943125
  H      -1.585176     -8.182926      3.551870
  H      -6.417985     -7.647801      3.069294
  H      -5.642101     -7.675971      4.654067
  H      -4.410877     -7.653928      1.869137
  H      -4.005540     -8.715496      3.228688
  H      -3.060756     -4.706246      0.633793
  H      -4.464279     -5.482243      1.418989
  H      -1.548388     -5.833248      2.292228
  H      -2.437497     -7.055143      1.331351
  C      -2.878998     -2.815204      2.449440
  C      -3.990046     -1.793264      1.957348
  C      -3.514608     -0.388979      1.992468
  S      -2.994845      0.513543      0.730189
  C      -3.272703      0.323283      3.285332
  O      -2.699892     -0.175366      4.256939
  C      -1.643609     -2.730370      1.559513
  C      -1.667893     -2.875150      0.163058
  C      -0.490138     -2.799726     -0.584006
  C       0.740273     -2.559718      0.030865
  C       0.742783     -2.361501      1.404453
  F       1.911682     -2.078371      2.039358
  C      -0.417971     -2.430236      2.164185
  C      -6.881163     -5.161939      4.014267
  C      -7.094111     -3.872119      3.170386
  C      -6.965639     -2.578845      3.934773
  S      -8.038011     -1.300358      3.750467
  C      -5.865929     -2.421321      4.796184
  O      -4.921968     -3.307202      4.912096
  C      -8.055107     -6.111258      3.863983
  C      -8.615275     -6.695958      5.005410
  C      -9.692836     -7.578777      4.895311
  C     -10.223685     -7.899109      3.645426
  C      -9.651234     -7.308720      2.522560
  F     -10.154321     -7.608040      1.296501
  C      -8.585603     -6.422908      2.603337
  C      -1.545621     -4.371481      6.121678
  C      -2.321258     -4.925550      7.341215
  C      -3.781677     -5.009111      6.957803
  S      -4.398948     -6.480156      6.305470
  C      -4.702569     -4.051544      7.568569
  O      -5.925509     -4.050919      7.505432
  C      -0.037739     -4.301726      6.294867
  C       0.779975     -4.150307      5.159763
  C       2.161618     -3.983077      5.292418
  C       2.754082     -3.976808      6.554740
  C       1.929973     -4.140299      7.664427
  F       2.486081     -4.146652      8.894545
  C       0.549893     -4.293520      7.564421
  H      -2.589136     -2.459965      3.443237
  H      -4.837484     -1.903373      2.647561
  H      -4.312741     -2.057970      0.942429
  H      -3.625031      1.375703      3.315542
  H      -2.611013     -3.010742     -0.365845
  H      -0.530925     -2.918287     -1.667421
  H       1.667826     -2.497015     -0.537969
  H      -0.374109     -2.175493      3.219435
  H      -6.857064     -4.892165      5.085224
  H      -6.359393     -3.872824      2.348003
  H      -8.085088     -3.882295      2.702787
  H      -5.761558     -1.514542      5.402922
  H      -8.205060     -6.449867      5.986550
  H     -10.128682     -8.019686      5.792895
  H     -11.065841     -8.581877      3.532769
  H      -8.182887     -5.988582      1.686941
  H      -2.691484     -2.648505      6.685459
  H      -1.932328     -5.923058      7.589144
  H      -2.183016     -4.279051      8.222601
  H      -4.174773     -3.235646      8.142533
  H       0.326402     -4.193993      4.167967
  H       2.781248     -3.861144      4.403383
  H       3.829081     -3.856398      6.688080
  H      -0.033644     -4.412670      8.476614
  N      -2.154677     -3.048781      5.930315
  N      -1.223094     -1.956676      5.761619
  H      -1.007063     -1.465079      6.643399
  H      -0.326938     -2.346334      5.400141
  H      -1.645784     -1.267696      5.085806
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.096615406660
  N      -3.440679     -4.133702      2.655299
  C      -3.433041     -5.099699      1.579242
  C      -2.544755     -6.238418      2.052982
  N      -3.155326     -6.766355      3.308472
  C      -4.287066     -7.684527      2.949095
  C      -5.564697     -7.245354      3.632056
  N      -5.573022     -5.800923      3.662066
  Mo     -3.908176     -4.906548      4.481869
  N      -1.916187     -5.167994      4.946885
  C      -1.210477     -6.437466      4.767243
  C      -2.146881     -7.462911      4.145196
  H      -0.837777     -6.839389      5.726295
  H      -0.317685     -6.293950      4.132175
  H      -2.696147     -7.995917      4.928581
  H      -1.594776     -8.197528      3.535054
  H      -6.424862     -7.641387      3.072521
  H      -5.640931     -7.675603      4.653354
  H      -4.423712     -7.646613      1.861572
  H      -4.015568     -8.715504      3.214742
  H      -3.057056     -4.697978      0.633592
  H      -4.462741     -5.472519      1.417371
  H      -1.547052     -5.842921      2.281915
  H      -2.447817     -7.054171      1.318392
  C      -2.871180     -2.815251      2.450628
  C      -3.984129     -1.797746      1.953640
  C      -3.515452     -0.390897      1.975689
  S      -3.012328      0.505166      0.701108
  C      -3.280809      0.335848      3.259727
  O      -2.700220     -0.144825      4.235411
  C      -1.640535     -2.736125      1.555205
  C      -1.676476     -2.887471      0.159899
  C      -0.504785     -2.820963     -0.597003
  C       0.731226     -2.582067      0.006993
  C       0.745192     -2.375925      1.379294
  F       1.919535     -2.087558      2.001764
  C      -0.409178     -2.436950      2.149526
  C      -6.878947     -5.156047      4.020556
  C      -7.089883     -3.864114      3.179931
  C      -6.956105     -2.574013      3.947834
  S      -8.024621     -1.291099      3.768528
  C      -5.853546     -2.421763      4.805631
  O      -4.911233     -3.310672      4.918258
  C      -8.055507     -6.102154      3.868863
  C      -8.613223     -6.692027      5.008874
  C      -9.691512     -7.573718      4.897240
  C     -10.225627     -7.887773      3.647166
  C      -9.655623     -7.292365      2.525741
  F     -10.161735     -7.585771      1.299486
  C      -8.589377     -6.407465      2.608103
  C      -1.552275     -4.406801      6.133535
  C      -2.325505     -4.971879      7.347097
  C      -3.783821     -5.045029      6.959534
  S      -4.401879     -6.504667      6.290466
  C      -4.702180     -4.089813      7.576697
  O      -5.924254     -4.076413      7.499973
  C      -0.045795     -4.297157      6.313822
  C       0.772516     -4.101868      5.185435
  C       2.149938     -3.910424      5.327228
  C       2.737811     -3.918367      6.591783
  C       1.913563     -4.121181      7.694752
  F       2.465353     -4.141242      8.926751
  C       0.537555     -4.302137      7.585885
  H      -2.578225     -2.456255      3.442352
  H      -4.831578     -1.905616      2.643892
  H      -4.307062     -2.069785      0.940690
  H      -3.618766      1.392794      3.268193
  H      -2.624562     -3.022536     -0.360371
  H      -0.554816     -2.944537     -1.679455
  H       1.654425     -2.524296     -0.569378
  H      -0.354265     -2.175892      3.202905
  H      -6.853631     -4.888952      5.092075
  H      -6.357419     -3.865066      2.355354
  H      -8.082161     -3.870334      2.715090
  H      -5.744845     -1.516833      5.414371
  H      -8.200034     -6.451302      5.990093
  H     -10.125294     -8.018807      5.793748
  H     -11.068371     -8.569611      3.533322
  H      -8.188719     -5.969005      1.692814
  H      -2.758928     -2.769554      6.699076
  H      -1.934996     -5.970477      7.588073
  H      -2.190408     -4.331057      8.233447
  H      -4.172028     -3.272423      8.146314
  H       0.324642     -4.134444      4.190922
  H       2.770674     -3.760039      4.443267
  H       3.809759     -3.779438      6.731642
  H      -0.045991     -4.453857      8.493059
  N      -2.117993     -3.015489      5.947120
  N      -1.177094     -1.930432      5.757900
  H      -0.946136     -1.433893      6.633006
  H      -0.287167     -2.327110      5.390196
  H      -1.604176     -1.245432      5.081084
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.091446120782
  N      -3.460081     -4.126942      2.651917
  C      -3.444524     -5.096949      1.579875
  C      -2.549158     -6.225897      2.063690
  N      -3.154229     -6.743623      3.327835
  C      -4.276912     -7.675631      2.970867
  C      -5.558586     -7.242307      3.645829
  N      -5.575581     -5.795616      3.668755
  Mo     -3.922017     -4.884213      4.490087
  N      -1.917721     -5.128514      4.964121
  C      -1.208027     -6.392323      4.773418
  C      -2.136650     -7.426603      4.163393
  H      -0.825268     -6.793763      5.728017
  H      -0.324491     -6.235348      4.129354
  H      -2.674421     -7.962968      4.952688
  H      -1.581323     -8.156685      3.550998
  H      -6.413165     -7.647089      3.083485
  H      -5.639830     -7.666088      4.668629
  H      -4.411769     -7.641068      1.882661
  H      -3.996433     -8.702991      3.239438
  H      -3.071876     -4.698763      0.630599
  H      -4.472349     -5.475708      1.421862
  H      -1.554092     -5.820809      2.288610
  H      -2.445013     -7.049237      1.339616
  C      -2.902822     -2.805183      2.437037
  C      -4.015811     -1.794788      1.927308
  C      -3.532905     -0.395110      1.950503
  S      -3.013317      0.498973      0.678427
  C      -3.275499      0.317399      3.235272
  O      -2.615021     -0.155100      4.163307
  C      -1.669258     -2.723589      1.550961
  C      -1.687124     -2.890280      0.157393
  C      -0.506745     -2.825193     -0.583246
  C       0.722316     -2.575260      0.035231
  C       0.715726     -2.353773      1.404888
  F       1.879944     -2.061986      2.044953
  C      -0.450816     -2.409253      2.157484
  C      -6.891427     -5.157995      4.010853
  C      -7.097784     -3.873861      3.158545
  C      -6.979510     -2.579001      3.920539
  S      -8.054632     -1.304159      3.722959
  C      -5.888469     -2.413987      4.790785
  O      -4.937450     -3.292839      4.914516
  C      -8.060020     -6.112344      3.854166
  C      -8.627496     -6.695117      4.993158
  C      -9.700210     -7.582786      4.877988
  C     -10.219214     -7.910362      3.624798
  C      -9.639649     -7.322145      2.504515
  F     -10.131056     -7.628216      1.275288
  C      -8.578518     -6.431655      2.590704
  C      -1.515885     -4.384725      6.162684
  C      -2.300975     -4.949544      7.369529
  C      -3.762158     -5.006608      6.981297
  S      -4.393277     -6.463786      6.315424
  C      -4.672554     -4.052666      7.611530
  O      -5.895497     -4.047417      7.557214
  C       0.005978     -4.340900      6.328410
  C       0.817901     -4.133037      5.195315
  C       2.199455     -3.974650      5.324023
  C       2.804143     -4.036511      6.579175
  C       1.991216     -4.255179      7.686859
  F       2.557870     -4.325546      8.910327
  C       0.608945     -4.398204      7.592912
  H      -2.613693     -2.432457      3.425559
  H      -4.864861     -1.899320      2.614612
  H      -4.335281     -2.066412      0.912663
  H      -3.542847      1.393493      3.231515
  H      -2.627930     -3.037519     -0.372873
  H      -0.542161     -2.961558     -1.664764
  H       1.653296     -2.522560     -0.528681
  H      -0.419322     -2.131504      3.206437
  H      -6.879716     -4.881808      5.080110
  H      -6.352282     -3.875425      2.344778
  H      -8.083265     -3.887064      2.680353
  H      -5.789387     -1.505990      5.396660
  H      -8.226336     -6.443078      5.976563
  H     -10.141575     -8.021810      5.773685
  H     -11.057535     -8.597008      3.507593
  H      -8.169537     -5.999765      1.676051
  H      -2.692761     -2.745147      6.840173
  H      -1.920692     -5.954253      7.599757
  H      -2.159307     -4.320831      8.264717
  H      -4.141000     -3.251393      8.202754
  H       0.358792     -4.117611      4.206393
  H       2.808924     -3.803502      4.435084
  H       3.880812     -3.924296      6.706840
  H       0.034967     -4.560363      8.504010
  N      -2.212201     -2.961672      5.913066
  N      -1.300396     -1.856972      5.731045
  H      -1.090047     -1.351905      6.607476
  H      -0.396779     -2.239466      5.381819
  H      -1.729407     -1.185064      5.045650
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097442251938
  N      -3.447695     -4.125756      2.655957
  C      -3.441848     -5.089472      1.578008
  C      -2.548715     -6.225144      2.048924
  N      -3.151597     -6.751365      3.309455
  C      -4.279559     -7.675730      2.950919
  C      -5.557811     -7.243385      3.635493
  N      -5.571696     -5.797742      3.669382
  Mo     -3.908960     -4.899307      4.486987
  N      -1.913811     -5.148345      4.952812
  C      -1.200361     -6.410357      4.757175
  C      -2.133609     -7.441300      4.140837
  H      -0.815095     -6.815309      5.709753
  H      -0.316805     -6.252886      4.112629
  H      -2.673163     -7.979315      4.927608
  H      -1.580120     -8.170544      3.525609
  H      -6.416658     -7.641853      3.075458
  H      -5.633090     -7.674961      4.655944
  H      -4.418951     -7.633869      1.863782
  H      -4.001975     -8.706142      3.211807
  H      -3.070332     -4.686176      0.631041
  H      -4.471642     -5.463686      1.419886
  H      -1.551378     -5.825585      2.272579
  H      -2.451398     -7.042913      1.317109
  C      -2.886462     -2.804160      2.446630
  C      -4.002962     -1.795268      1.937211
  C      -3.540311     -0.386420      1.948571
  S      -3.033941      0.500750      0.668403
  C      -3.318214      0.359836      3.223615
  O      -2.695301     -0.085879      4.189909
  C      -1.652837     -2.727846      1.555528
  C      -1.684476     -2.881972      0.160357
  C      -0.509932     -2.826160     -0.591867
  C       0.726784     -2.598227      0.016578
  C       0.736811     -2.390528      1.388491
  F       1.911741     -2.118275      2.017362
  C      -0.421662     -2.438299      2.153872
  C      -6.881968     -5.157549      4.023499
  C      -7.090546     -3.866322      3.181459
  C      -6.962811     -2.576367      3.950889
  S      -8.034710     -1.296663      3.770572
  C      -5.863955     -2.422856      4.813494
  O      -4.918221     -3.308620      4.923503
  C      -8.055102     -6.106805      3.867536
  C      -8.616359     -6.696650      5.005911
  C      -9.692574     -7.580302      4.891048
  C     -10.221115     -7.896668      3.639067
  C      -9.647527     -7.301546      2.519335
  F     -10.148303     -7.596810      1.291304
  C      -8.583167     -6.414726      2.605065
  C      -1.537106     -4.394410      6.143770
  C      -2.318495     -4.954776      7.355425
  C      -3.774780     -5.030739      6.962774
  S      -4.387924     -6.495192      6.298926
  C      -4.697839     -4.082110      7.583746
  O      -5.921009     -4.091838      7.530019
  C      -0.025706     -4.319503      6.326035
  C       0.798398     -4.135147      5.199382
  C       2.177206     -3.959263      5.344066
  C       2.763068     -3.977868      6.609400
  C       1.935058     -4.173686      7.710564
  F       2.484073     -4.203372      8.943537
  C       0.556547     -4.335267      7.599459
  H      -2.597338     -2.436596      3.435975
  H      -4.853039     -1.902255      2.623956
  H      -4.319981     -2.076522      0.924679
  H      -3.641075      1.421272      3.205337
  H      -2.631856     -3.011197     -0.362724
  H      -0.557166     -2.951556     -1.674255
  H       1.652790     -2.551763     -0.556184
  H      -0.369324     -2.172346      3.205648
  H      -6.861909     -4.889406      5.094835
  H      -6.351524     -3.865221      2.362400
  H      -8.079582     -3.873650      2.710205
  H      -5.757745     -1.519657      5.425321
  H      -8.207736     -6.453602      5.988491
  H     -10.129211     -8.025015      5.786321
  H     -11.062265     -8.579989      3.522477
  H      -8.179265     -5.976979      1.690908
  H      -2.725769     -2.748181      6.727732
  H      -1.928437     -5.952338      7.600975
  H      -2.187581     -4.312321      8.241613
  H      -4.174736     -3.277195      8.177211
  H       0.352958     -4.156890      4.203770
  H       2.799713     -3.810139      4.460937
  H       3.836389     -3.851212      6.750608
  H      -0.030334     -4.479621      8.505589
  N      -2.137501     -3.005117      5.932184
  N      -1.210485     -1.909743      5.748070
  H      -0.981693     -1.416575      6.626209
  H      -0.315941     -2.300796      5.384876
  H      -1.635106     -1.224524      5.071059
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.094789432532
  N      -3.454862     -4.129289      2.656176
  C      -3.448814     -5.093542      1.579145
  C      -2.556945     -6.232397      2.049345
  N      -3.158495     -6.758196      3.309983
  C      -4.287978     -7.681476      2.956917
  C      -5.565301     -7.246467      3.642670
  N      -5.579451     -5.802543      3.671369
  Mo     -3.917400     -4.900958      4.484018
  N      -1.917850     -5.151909      4.946434
  C      -1.205771     -6.414685      4.752686
  C      -2.144206     -7.448031      4.145501
  H      -0.810482     -6.815476      5.703104
  H      -0.326453     -6.266850      4.099658
  H      -2.689294     -7.973794      4.936566
  H      -1.594523     -8.187274      3.538847
  H      -6.425053     -7.646731      3.085717
  H      -5.636628     -7.673990      4.665324
  H      -4.429721     -7.642926      1.869969
  H      -4.010623     -8.711174      3.221230
  H      -3.074533     -4.688380      0.634257
  H      -4.477461     -5.469949      1.419029
  H      -1.556749     -5.837759      2.269081
  H      -2.467174     -7.050383      1.316397
  C      -2.880570     -2.813281      2.452274
  C      -3.985868     -1.785598      1.969110
  C      -3.490469     -0.390491      1.999388
  S      -2.999508      0.515759      0.727384
  C      -3.137522      0.272861      3.289284
  O      -2.497141     -0.268814      4.192815
  C      -1.654443     -2.735750      1.551283
  C      -1.696979     -2.879635      0.155424
  C      -0.526885     -2.820809     -0.604250
  C       0.713416     -2.597293     -0.002224
  C       0.733138     -2.397917      1.370924
  F       1.911501     -2.119555      1.990778
  C      -0.419879     -2.451871      2.144039
  C      -6.888129     -5.161200      4.022538
  C      -7.101240     -3.872336      3.177429
  C      -6.973974     -2.580881      3.943286
  S      -8.048105     -1.302159      3.759981
  C      -5.873509     -2.421658      4.801409
  O      -4.926591     -3.306334      4.917584
  C      -8.059593     -6.112834      3.868113
  C      -8.615171     -6.708301      5.006270
  C      -9.687398     -7.596886      4.891404
  C     -10.217532     -7.912130      3.639970
  C      -9.649943     -7.310949      2.520473
  F     -10.151887     -7.605862      1.292908
  C      -8.589581     -6.419290      2.606003
  C      -1.552372     -4.379533      6.131577
  C      -2.326723     -4.940581      7.345442
  C      -3.784632     -5.027525      6.958999
  S      -4.392099     -6.498768      6.301311
  C      -4.709710     -4.077177      7.574447
  O      -5.928416     -4.047272      7.459832
  C      -0.046343     -4.276760      6.316271
  C       0.775048     -4.056408      5.194276
  C       2.153159     -3.875428      5.341858
  C       2.739841     -3.914687      6.606478
  C       1.912256     -4.137477      7.703234
  F       2.461423     -4.186916      8.935995
  C       0.536018     -4.310615      7.588699
  H      -2.577568     -2.460433      3.444981
  H      -4.826442     -1.883748      2.669207
  H      -4.325452     -2.044164      0.958246
  H      -3.429591      1.340977      3.364377
  H      -2.648236     -3.003696     -0.361892
  H      -0.581372     -2.937384     -1.687283
  H       1.636041     -2.544473     -0.579973
  H      -0.363772     -2.191065      3.197338
  H      -6.867079     -4.891290      5.093446
  H      -6.365582     -3.873255      2.355862
  H      -8.092161     -3.882777      2.709545
  H      -5.769183     -1.515876      5.409300
  H      -8.204284     -6.467403      5.988421
  H     -10.119331     -8.046888      5.786350
  H     -11.055440     -8.599498      3.523608
  H      -8.190226     -5.976650      1.692113
  H      -2.758687     -2.781042      6.696041
  H      -1.930037     -5.936950      7.587702
  H      -2.193917     -4.298806      8.231555
  H      -4.182014     -3.224364      8.092097
  H       0.330762     -4.061983      4.197896
  H       2.774190     -3.709532      4.460710
  H       3.812215     -3.784155      6.750894
  H      -0.049201     -4.480362      8.491573
  N      -2.140917     -3.020912      5.925018
  N      -1.209268     -1.935601      5.749717
  H      -0.976792     -1.446939      6.628815
  H      -0.317101     -2.327408      5.383127
  H      -1.644021     -1.255562      5.073591
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097630269058
  N      -3.446187     -4.127424      2.659588
  C      -3.439380     -5.092358      1.582921
  C      -2.548675     -6.230233      2.054834
  N      -3.153028     -6.754291      3.315549
  C      -4.282343     -7.677658      2.959209
  C      -5.560488     -7.242687      3.642749
  N      -5.573330     -5.797564      3.673420
  Mo     -3.910792     -4.898959      4.489997
  N      -1.913651     -5.150820      4.956336
  C      -1.201133     -6.412585      4.759292
  C      -2.138494     -7.444266      4.150736
  H      -0.807785     -6.815710      5.709380
  H      -0.322120     -6.259124      4.107384
  H      -2.681748     -7.972821      4.941339
  H      -1.588453     -8.181087      3.541496
  H      -6.419401     -7.641844      3.083433
  H      -5.635385     -7.671481      4.664443
  H      -4.422037     -7.637639      1.872053
  H      -4.005912     -8.707855      3.222263
  H      -3.065776     -4.688925      0.636649
  H      -4.468666     -5.467192      1.423236
  H      -1.549336     -5.834700      2.276680
  H      -2.456176     -7.048906      1.323326
  C      -2.886600     -2.805571      2.448950
  C      -4.004774     -1.799636      1.941211
  C      -3.542251     -0.391347      1.948901
  S      -3.054591      0.499297      0.664047
  C      -3.279909      0.340671      3.223860
  O      -2.669292     -0.133889      4.183896
  C      -1.654812     -2.727704      1.555950
  C      -1.690141     -2.876840      0.160388
  C      -0.516833     -2.822812     -0.594010
  C       0.721679     -2.601212      0.012960
  C       0.735141     -2.398708      1.385657
  F       1.911854     -2.128369      2.012202
  C      -0.421769     -2.445850      2.153512
  C      -6.883206     -5.154343      4.020645
  C      -7.088698     -3.864717      3.175074
  C      -6.961514     -2.573445      3.942021
  S      -8.032667     -1.293348      3.757333
  C      -5.863652     -2.418376      4.805175
  O      -4.919529     -3.305557      4.919766
  C      -8.056270     -6.103281      3.862395
  C      -8.617703     -6.695885      4.999218
  C      -9.692327     -7.581130      4.881711
  C     -10.219075     -7.896199      3.628684
  C      -9.645431     -7.298208      2.510536
  F     -10.144203     -7.592550      1.281491
  C      -8.582592     -6.409797      2.598847
  C      -1.537240     -4.390839      6.145355
  C      -2.314929     -4.954078      7.356796
  C      -3.773145     -5.029028      6.967315
  S      -4.388721     -6.494772      6.305468
  C      -4.694170     -4.078924      7.589651
  O      -5.917131     -4.080747      7.530341
  C      -0.026267     -4.304550      6.323872
  C       0.792375     -4.094972      5.197614
  C       2.171834     -3.921382      5.338840
  C       2.763783     -3.961891      6.600785
  C       1.940506     -4.177952      7.701807
  F       2.495045     -4.228979      8.931825
  C       0.562103     -4.341241      7.594029
  H      -2.596374     -2.438101      3.438460
  H      -4.852335     -1.904687      2.631606
  H      -4.326679     -2.082373      0.930722
  H      -3.616282      1.397985      3.235850
  H      -2.639151     -3.001505     -0.360848
  H      -0.566703     -2.943607     -1.676804
  H       1.646953     -2.554642     -0.560984
  H      -0.366107     -2.183273      3.206217
  H      -6.866291     -4.884029      5.091521
  H      -6.348369     -3.866561      2.357369
  H      -8.077052     -3.872166      2.702260
  H      -5.757941     -1.514011      5.415222
  H      -8.209934     -6.454509      5.982556
  H     -10.128987     -8.028365      5.775718
  H     -11.058867     -8.580848      3.510101
  H      -8.178501     -5.969767      1.685859
  H      -2.731435     -2.763762      6.734925
  H      -1.924612     -5.953155      7.596087
  H      -2.180098     -4.315319      8.245037
  H      -4.167654     -3.265732      8.168861
  H       0.343740     -4.101061      4.203267
  H       2.789850     -3.759282      4.454740
  H       3.837640     -3.837392      6.739594
  H      -0.019982     -4.504468      8.499968
  N      -2.145525     -3.009359      5.933083
  N      -1.215271     -1.918876      5.758911
  H      -0.983311     -1.432603      6.640087
  H      -0.322227     -2.310553      5.393385
  H      -1.639727     -1.231467      5.084615
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.096854125393
  N      -3.452906     -4.127353      2.657272
  C      -3.449186     -5.092858      1.580824
  C      -2.553040     -6.227171      2.050293
  N      -3.152085     -6.754623      3.312404
  C      -4.278835     -7.682179      2.958026
  C      -5.559264     -7.247732      3.637990
  N      -5.572715     -5.802442      3.668716
  Mo     -3.911007     -4.902343      4.488536
  N      -1.912896     -5.147165      4.948679
  C      -1.198886     -6.409649      4.755490
  C      -2.131984     -7.442392      4.142929
  H      -0.811148     -6.811901      5.708322
  H      -0.316494     -6.253992      4.108902
  H      -2.669907     -7.979060      4.931678
  H      -1.578968     -8.172676      3.528413
  H      -6.416607     -7.647211      3.076325
  H      -5.637541     -7.677182      4.659261
  H      -4.416033     -7.648291      1.870349
  H      -4.000594     -8.710448      3.226641
  H      -3.081860     -4.690775      0.631811
  H      -4.478992     -5.469028      1.427287
  H      -1.555697     -5.826275      2.271451
  H      -2.456745     -7.044984      1.318289
  C      -2.885071     -2.807995      2.451938
  C      -3.999293     -1.791312      1.955274
  C      -3.533876     -0.384639      1.997746
  S      -3.009999      0.527474      0.742435
  C      -3.326144      0.338524      3.288230
  O      -2.675467     -0.112233      4.233689
  C      -1.654759     -2.732396      1.557012
  C      -1.692251     -2.885044      0.161938
  C      -0.519606     -2.840160     -0.594176
  C       0.720713     -2.623405      0.010634
  C       0.736313     -2.412918      1.382186
  F       1.915234     -2.146189      2.006251
  C      -0.419949     -2.450122      2.151415
  C      -6.882788     -5.161551      4.020720
  C      -7.088897     -3.868629      3.180236
  C      -6.965327     -2.580109      3.953061
  S      -8.041198     -1.303354      3.777170
  C      -5.865648     -2.425765      4.814647
  O      -4.919424     -3.311007      4.923249
  C      -8.056051     -6.110029      3.860015
  C      -8.621164     -6.701056      4.995833
  C      -9.696806     -7.584847      4.876361
  C     -10.220690     -7.900337      3.622238
  C      -9.643141     -7.304216      2.505047
  F     -10.139262     -7.598855      1.274989
  C      -8.579397     -6.417122      2.595337
  C      -1.538451     -4.389991      6.137074
  C      -2.317922     -4.949341      7.350513
  C      -3.775356     -5.028983      6.959431
  S      -4.386121     -6.496781      6.299227
  C      -4.700019     -4.076465      7.572237
  O      -5.921249     -4.065880      7.486070
  C      -0.027716     -4.308411      6.316964
  C       0.796290     -4.146867      5.186894
  C       2.175748     -3.972458      5.327543
  C       2.762258     -3.970016      6.592728
  C       1.934463     -4.145226      7.697494
  F       2.484433     -4.156010      8.930360
  C       0.555588     -4.306025      7.589942
  H      -2.590869     -2.447211      3.442309
  H      -4.852501     -1.911080      2.636003
  H      -4.310597     -2.053352      0.935795
  H      -3.619215      1.408416      3.272045
  H      -2.642482     -3.007382     -0.357665
  H      -0.571151     -2.965783     -1.676337
  H       1.645461     -2.585318     -0.564806
  H      -0.362192     -2.179361      3.202028
  H      -6.865168     -4.895428      5.092656
  H      -6.345910     -3.865351      2.364907
  H      -8.075705     -3.876133      2.704388
  H      -5.759950     -1.523147      5.427439
  H      -8.215984     -6.458957      5.980080
  H     -10.136595     -8.030390      5.769688
  H     -11.061197     -8.583837      3.502053
  H      -8.172325     -5.978460      1.683023
  H      -2.741313     -2.705831      6.721268
  H      -1.926387     -5.946051      7.596855
  H      -2.186652     -4.305611      8.235765
  H      -4.176433     -3.248297      8.132469
  H       0.351195     -4.191062      4.191800
  H       2.798267     -3.843177      4.441375
  H       3.836049     -3.844363      6.731244
  H      -0.030716     -4.434957      8.498745
  N      -2.127833     -2.984763      5.945485
  N      -1.204179     -1.885958      5.759122
  H      -0.971725     -1.394126      6.636990
  H      -0.309858     -2.271167      5.388425
  H      -1.635292     -1.202164      5.084833
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097715475970
  N      -3.451993     -4.125118      2.655156
  C      -3.449043     -5.090927      1.579270
  C      -2.552456     -6.224933      2.049036
  N      -3.150211     -6.750315      3.312595
  C      -4.277092     -7.678618      2.960320
  C      -5.557395     -7.243667      3.640415
  N      -5.571672     -5.798340      3.669627
  Mo     -3.909721     -4.898487      4.487440
  N      -1.911425     -5.139212      4.951433
  C      -1.194885     -6.399517      4.753411
  C      -2.128499     -7.434954      4.144014
  H      -0.801828     -6.801720      5.704032
  H      -0.315630     -6.242026      4.102955
  H      -2.665451     -7.969687      4.934717
  H      -1.575449     -8.166487      3.531049
  H      -6.414898     -7.644285      3.079901
  H      -5.634575     -7.671447      4.662455
  H      -4.415327     -7.645428      1.872758
  H      -3.998284     -8.706580      3.229482
  H      -3.081862     -4.688894      0.630068
  H      -4.478738     -5.467557      1.426283
  H      -1.554528     -5.824269      2.267913
  H      -2.457833     -7.043978      1.318214
  C      -2.887026     -2.805153      2.446107
  C      -4.001644     -1.789122      1.950298
  C      -3.531513     -0.384007      1.983782
  S      -3.013919      0.521596      0.721295
  C      -3.306416      0.341232      3.270298
  O      -2.685021     -0.124120      4.228477
  C      -1.659545     -2.732565      1.547187
  C      -1.702209     -2.879467      0.151662
  C      -0.531431     -2.838077     -0.607638
  C       0.711868     -2.631229     -0.005352
  C       0.732781     -2.428102      1.367245
  F       1.914956     -2.170036      1.988889
  C      -0.421494     -2.462484      2.139576
  C      -6.881874     -5.157372      4.019918
  C      -7.087929     -3.865430      3.177896
  C      -6.964568     -2.576411      3.949599
  S      -8.040902     -1.299935      3.773178
  C      -5.864752     -2.421578      4.810554
  O      -4.918541     -3.307143      4.919720
  C      -8.054685     -6.106345      3.859466
  C      -8.618837     -6.698181      4.995342
  C      -9.693744     -7.582866      4.876001
  C     -10.217907     -7.898338      3.622002
  C      -9.641430     -7.301277      2.504783
  F     -10.137780     -7.595960      1.274834
  C      -8.578379     -6.413327      2.594918
  C      -1.538216     -4.383442      6.143811
  C      -2.317989     -4.949415      7.353241
  C      -3.775237     -5.027109      6.961469
  S      -4.385834     -6.494049      6.298169
  C      -4.699635     -4.081205      7.584800
  O      -5.922272     -4.083916      7.520118
  C      -0.028105     -4.300353      6.327586
  C       0.797976     -4.119301      5.202188
  C       2.177072     -3.946262      5.348589
  C       2.760813     -3.961884      6.614930
  C       1.930420     -4.153443      7.715091
  F       2.477309     -4.181175      8.949130
  C       0.552145     -4.314742      7.601782
  H      -2.589866     -2.442545      3.435298
  H      -4.851364     -1.903031      2.636346
  H      -4.319671     -2.054757      0.933919
  H      -3.629761      1.402601      3.271901
  H      -2.654800     -2.993899     -0.365436
  H      -0.586799     -2.958094     -1.690244
  H       1.635179     -2.595401     -0.583231
  H      -0.359565     -2.197678      3.191280
  H      -6.864755     -4.890166      5.091607
  H      -6.344699     -3.863049      2.362861
  H      -8.074704     -3.873404      2.701914
  H      -5.758969     -1.518828      5.423017
  H      -8.213279     -6.456242      5.979462
  H     -10.132702     -8.029211      5.769334
  H     -11.057845     -8.582556      3.501943
  H      -8.172106     -5.973959      1.682582
  H      -2.712239     -2.754667      6.735650
  H      -1.926357     -5.947742      7.593283
  H      -2.186441     -4.311398      8.242464
  H      -4.176354     -3.265759      8.163642
  H       0.355504     -4.147195      4.205513
  H       2.801465     -3.804117      4.465697
  H       3.834163     -3.837363      6.757743
  H      -0.036116     -4.457924      8.507205
  N      -2.133957     -3.003907      5.928385
  N      -1.204719     -1.911036      5.750830
  H      -0.968184     -1.428091      6.632545
  H      -0.312962     -2.299240      5.377998
  H      -1.632459     -1.220681      5.080832
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097189769305
  N      -3.450131     -4.128620      2.662445
  C      -3.446176     -5.092490      1.585056
  C      -2.554332     -6.230869      2.053957
  N      -3.155187     -6.755625      3.316243
  C      -4.284115     -7.680434      2.962224
  C      -5.563276     -7.244105      3.642958
  N      -5.574872     -5.799070      3.675039
  Mo     -3.912505     -4.901436      4.493139
  N      -1.910100     -5.151241      4.950976
  C      -1.198628     -6.413142      4.750689
  C      -2.138131     -7.445406      4.148095
  H      -0.799311     -6.815762      5.698361
  H      -0.323824     -6.260533      4.093178
  H      -2.678544     -7.972589      4.941563
  H      -1.590546     -8.183066      3.537652
  H      -6.421186     -7.642025      3.081217
  H      -5.641379     -7.673275      4.664205
  H      -4.422593     -7.644097      1.874714
  H      -4.007504     -8.709552      3.229000
  H      -3.075491     -4.688350      0.637613
  H      -4.475937     -5.467292      1.428821
  H      -1.554357     -5.835645      2.273588
  H      -2.463873     -7.049121      1.321808
  C      -2.888262     -2.807862      2.452038
  C      -4.002718     -1.796365      1.948958
  C      -3.526728     -0.393646      1.962072
  S      -3.017629      0.495087      0.684009
  C      -3.256249      0.328828      3.240393
  O      -2.656813     -0.160706      4.200361
  C      -1.660893     -2.735180      1.554352
  C      -1.703360     -2.884275      0.159214
  C      -0.532613     -2.841080     -0.599601
  C       0.710249     -2.630884      0.003027
  C       0.730574     -2.427685      1.375590
  F       1.912076     -2.166719      1.997263
  C      -0.423868     -2.464075      2.147804
  C      -6.884895     -5.155702      4.020725
  C      -7.086964     -3.863377      3.178487
  C      -6.963598     -2.575298      3.951173
  S      -8.038924     -1.297615      3.773623
  C      -5.865093     -2.421217      4.813476
  O      -4.919746     -3.307811      4.924525
  C      -8.058194     -6.103218      3.855873
  C      -8.625090     -6.697386      4.989161
  C      -9.699862     -7.581578      4.865405
  C     -10.221274     -7.894073      3.609507
  C      -9.642265     -7.294548      2.494958
  F     -10.135770     -7.586442      1.263202
  C      -8.579186     -6.407102      2.589504
  C      -1.529802     -4.389730      6.138453
  C      -2.308533     -4.949036      7.350690
  C      -3.767667     -5.027875      6.962624
  S      -4.383150     -6.497260      6.307168
  C      -4.688954     -4.075442      7.580472
  O      -5.912339     -4.087692      7.534716
  C      -0.017966     -4.299862      6.318911
  C       0.802352     -4.080983      5.195469
  C       2.180205     -3.899030      5.340493
  C       2.769678     -3.939326      6.603631
  C       1.945050     -4.161628      7.702286
  F       2.496584     -4.210227      8.933869
  C       0.567948     -4.333116      7.590722
  H      -2.592131     -2.441114      3.440842
  H      -4.848817     -1.898236      2.641076
  H      -4.328440     -2.072259      0.937862
  H      -3.614276      1.378431      3.273268
  H      -2.655802     -3.001889     -0.357558
  H      -0.587546     -2.961995     -1.682130
  H       1.633938     -2.593286     -0.574094
  H      -0.363253     -2.198527      3.199653
  H      -6.870754     -4.888678      5.092492
  H      -6.341929     -3.862004      2.365025
  H      -8.072840     -3.869567      2.700556
  H      -5.758915     -1.518521      5.425822
  H      -8.221469     -6.458002      5.974694
  H     -10.140817     -8.030017      5.756687
  H     -11.061022     -8.577902      3.485993
  H      -8.170681     -5.965811      1.679088
  H      -2.752697     -2.744081      6.739889
  H      -1.916048     -5.946456      7.593325
  H      -2.174956     -4.307459      8.237272
  H      -4.163562     -3.267914      8.168451
  H       0.356593     -4.082889      4.200160
  H       2.798863     -3.729743      4.458103
  H       3.842380     -3.808048      6.745196
  H      -0.015144     -4.500157      8.495297
  N      -2.148491     -2.994509      5.951450
  N      -1.219749     -1.903443      5.775972
  H      -0.981980     -1.421094      6.657574
  H      -0.328664     -2.291089      5.402857
  H      -1.652754     -1.216638      5.105854
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097841001959
  N      -3.450285     -4.126406      2.659180
  C      -3.448874     -5.091256      1.582588
  C      -2.554378     -6.227691      2.050794
  N      -3.151778     -6.752603      3.314752
  C      -4.279542     -7.680283      2.963758
  C      -5.559432     -7.244471      3.644175
  N      -5.573002     -5.799297      3.673682
  Mo     -3.910418     -4.900216      4.490700
  N      -1.910759     -5.143606      4.952500
  C      -1.194228     -6.402622      4.750186
  C      -2.130656     -7.437937      4.146060
  H      -0.794126     -6.804926      5.697788
  H      -0.319435     -6.245266      4.093568
  H      -2.668168     -7.968174      4.939432
  H      -1.580350     -8.172906      3.534776
  H      -6.417110     -7.644679      3.083681
  H      -5.636445     -7.672016      4.666316
  H      -4.418557     -7.647358      1.876269
  H      -4.001140     -8.708280      3.233171
  H      -3.080793     -4.688383      0.633895
  H      -4.478927     -5.466712      1.429060
  H      -1.554955     -5.830055      2.268237
  H      -2.463389     -7.046456      1.319238
  C      -2.887373     -2.805707      2.449377
  C      -4.002516     -1.791075      1.952522
  C      -3.530880     -0.386502      1.980864
  S      -3.016537      0.515824      0.714579
  C      -3.292851      0.337121      3.265787
  O      -2.674371     -0.134103      4.222947
  C      -1.660102     -2.734174      1.550416
  C      -1.704135     -2.879493      0.154820
  C      -0.533589     -2.841717     -0.604925
  C       0.710805     -2.640733     -0.002809
  C       0.733189     -2.439933      1.370114
  F       1.916765     -2.187636      1.991486
  C      -0.420837     -2.470711      2.143107
  C      -6.883170     -5.156584      4.020045
  C      -7.086145     -3.864474      3.177407
  C      -6.963686     -2.575759      3.949713
  S      -8.040707     -1.299690      3.773952
  C      -5.864203     -2.421278      4.811106
  O      -4.919020     -3.307895      4.920220
  C      -8.056308     -6.104609      3.856515
  C      -8.622715     -6.697600      4.990658
  C      -9.697528     -7.581966      4.868258
  C     -10.219391     -7.895888      3.612900
  C      -9.640762     -7.297605      2.497465
  F     -10.134816     -7.590777      1.266235
  C      -8.577714     -6.409954      2.590644
  C      -1.535621     -4.386550      6.143242
  C      -2.313898     -4.952261      7.353300
  C      -3.771668     -5.028984      6.962644
  S      -4.384696     -6.496790      6.302660
  C      -4.694601     -4.081134      7.585534
  O      -5.917347     -4.084578      7.524537
  C      -0.025309     -4.298905      6.324448
  C       0.797056     -4.099172      5.199372
  C       2.175443     -3.919795      5.344221
  C       2.762732     -3.946192      6.608706
  C       1.935953     -4.153682      7.708709
  F       2.485835     -4.190430      8.941302
  C       0.558412     -4.321765      7.597140
  H      -2.590231     -2.442072      3.438343
  H      -4.850784     -1.901619      2.640898
  H      -4.323953     -2.059098      0.937886
  H      -3.625315      1.395571      3.276114
  H      -2.657535     -2.990361     -0.361579
  H      -0.589917     -2.960108     -1.687664
  H       1.634192     -2.607891     -0.580733
  H      -0.357078     -2.206213      3.194926
  H      -6.868564     -4.889066      5.091730
  H      -6.340852     -3.862737      2.364265
  H      -8.071844     -3.871618      2.699211
  H      -5.757944     -1.518728      5.423750
  H      -8.218871     -6.456978      5.975801
  H     -10.138212     -8.029340      5.760221
  H     -11.059194     -8.579849      3.490470
  H      -8.169603     -5.969658      1.679578
  H      -2.725255     -2.747552      6.734465
  H      -1.922326     -5.950810      7.592599
  H      -2.181398     -4.314020      8.242244
  H      -4.169752     -3.265680      8.162867
  H       0.352669     -4.116052      4.203382
  H       2.796259     -3.763918      4.461032
  H       3.835669     -3.816922      6.750311
  H      -0.026655     -4.476991      8.502593
  N      -2.139488     -3.000207      5.934800
  N      -1.209560     -1.908383      5.759521
  H      -0.970433     -1.428488      6.642230
  H      -0.318951     -2.296539      5.384858
  H      -1.638670     -1.217696      5.090678
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097857829744
  N      -3.451679     -4.124692      2.659087
  C      -3.451101     -5.089118      1.582145
  C      -2.554314     -6.224451      2.048794
  N      -3.148717     -6.749942      3.314062
  C      -4.275616     -7.679457      2.964612
  C      -5.556210     -7.244160      3.644160
  N      -5.570582     -5.798923      3.674419
  Mo     -3.908280     -4.899735      4.491206
  N      -1.907611     -5.138978      4.952150
  C      -1.188683     -6.396110      4.746323
  C      -2.124525     -7.433217      4.143748
  H      -0.784941     -6.798624      5.692263
  H      -0.316168     -6.235812      4.087288
  H      -2.659482     -7.964481      4.938157
  H      -1.573846     -8.167069      3.531438
  H      -6.413355     -7.644625      3.083025
  H      -5.633910     -7.671844      4.666184
  H      -4.414518     -7.648227      1.877050
  H      -3.996047     -8.706725      3.235504
  H      -3.085260     -4.685706      0.632778
  H      -4.481074     -5.465626      1.430684
  H      -1.555099     -5.825319      2.264403
  H      -2.463402     -7.043295      1.317368
  C      -2.890254     -2.803485      2.448697
  C      -4.007254     -1.788956      1.955347
  C      -3.535356     -0.384726      1.986367
  S      -3.015811      0.519199      0.723369
  C      -3.298932      0.337595      3.272205
  O      -2.675035     -0.132006      4.226730
  C      -1.666038     -2.732521      1.545654
  C      -1.715959     -2.875878      0.150104
  C      -0.548330     -2.841263     -0.614174
  C       0.699108     -2.645878     -0.016511
  C       0.727556     -2.447429      1.356632
  F       1.914647     -2.200499      1.973515
  C      -0.423541     -2.475071      2.134183
  C      -6.881128     -5.157575      4.021417
  C      -7.084042     -3.864147      3.180762
  C      -6.963924     -2.577135      3.956184
  S      -8.043913     -1.302971      3.785048
  C      -5.863943     -2.423083      4.816916
  O      -4.917268     -3.308645      4.923090
  C      -8.053788     -6.105786      3.855743
  C      -8.621492     -6.699713      4.988750
  C      -9.696069     -7.584085      4.864412
  C     -10.216374     -7.897120      3.608190
  C      -9.636455     -7.297944      2.493906
  F     -10.128967     -7.590282      1.261859
  C      -8.573620     -6.410255      2.589020
  C      -1.533889     -4.381376      6.143481
  C      -2.315955     -4.943128      7.352915
  C      -3.772309     -5.025228      6.958457
  S      -4.379539     -6.496820      6.301374
  C      -4.699539     -4.075598      7.572004
  O      -5.921922     -4.080474      7.504109
  C      -0.023815     -4.299040      6.330381
  C       0.805764     -4.120314      5.207131
  C       2.184529     -3.947751      5.357067
  C       2.764908     -3.960781      6.624954
  C       1.931256     -4.149618      7.723064
  F       2.474448     -4.174858      8.958857
  C       0.553323     -4.310928      7.606186
  H      -2.590172     -2.439748      3.436853
  H      -4.854257     -1.901587      2.644829
  H      -4.329899     -2.054865      0.940547
  H      -3.637645      1.393973      3.285743
  H      -2.671891     -2.982980     -0.362428
  H      -0.609238     -2.957845     -1.696856
  H       1.620359     -2.615658     -0.597972
  H      -0.355045     -2.211648      3.185946
  H      -6.867042     -4.891828      5.093566
  H      -6.336840     -3.860062      2.369401
  H      -8.068752     -3.871303      2.700575
  H      -5.757984     -1.521841      5.431517
  H      -8.218840     -6.459773      5.974547
  H     -10.137769     -8.032180      5.755507
  H     -11.055942     -8.581092      3.484221
  H      -8.164459     -5.969232      1.678778
  H      -2.720160     -2.748513      6.738096
  H      -1.922968     -5.939851      7.597406
  H      -2.187531     -4.301606      8.240192
  H      -4.178868     -3.257113      8.148859
  H       0.367155     -4.150206      4.208897
  H       2.811150     -3.808310      4.475293
  H       3.837913     -3.836494      6.770477
  H      -0.037255     -4.452146      8.510369
  N      -2.132453     -2.997879      5.934804
  N      -1.203614     -1.904762      5.759023
  H      -0.959625     -1.428846      6.642499
  H      -0.314520     -2.290500      5.378096
  H      -1.637115     -1.212174      5.094795
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.097923086910
  N      -3.455504     -4.123987      2.658940
  C      -3.456681     -5.089642      1.583046
  C      -2.558321     -6.224085      2.048873
  N      -3.149704     -6.749492      3.315663
  C      -4.275686     -7.681470      2.969684
  C      -5.557891     -7.244144      3.645417
  N      -5.571737     -5.799072      3.673939
  Mo     -3.909846     -4.899041      4.491751
  N      -1.906471     -5.133931      4.948286
  C      -1.186844     -6.390784      4.741872
  C      -2.122797     -7.430138      4.143899
  H      -0.779184     -6.791337      5.686948
  H      -0.316705     -6.230880      4.079663
  H      -2.655174     -7.960471      4.940665
  H      -1.572691     -8.164488      3.531648
  H      -6.413851     -7.644939      3.082659
  H      -5.638469     -7.670452      4.667843
  H      -4.412827     -7.656555      1.881708
  H      -3.995785     -8.706988      3.246721
  H      -3.093421     -4.687264      0.632271
  H      -4.486807     -5.467063      1.434782
  H      -1.559044     -5.824036      2.262490
  H      -2.468167     -7.043202      1.317651
  C      -2.890331     -2.804350      2.449025
  C      -4.005002     -1.787044      1.955344
  C      -3.531536     -0.383993      1.996682
  S      -2.991736      0.524255      0.745472
  C      -3.313316      0.335138      3.287372
  O      -2.689371     -0.131741      4.243202
  C      -1.665822     -2.737603      1.546642
  C      -1.716675     -2.878409      0.150960
  C      -0.548748     -2.851711     -0.613163
  C       0.699984     -2.667101     -0.014849
  C       0.729652     -2.470651      1.358598
  F       1.918653     -2.233615      1.975820
  C      -0.421648     -2.490469      2.136066
  C      -6.882088     -5.157256      4.019796
  C      -7.082892     -3.862512      3.180367
  C      -6.966126     -2.576874      3.958686
  S      -8.050001     -1.305541      3.792178
  C      -5.865134     -2.422057      4.818117
  O      -4.917789     -3.306995      4.922346
  C      -8.055087     -6.104498      3.850624
  C      -8.627119     -6.697628      4.981845
  C      -9.702021     -7.581144      4.854120
  C     -10.218243     -7.894180      3.596227
  C      -9.633985     -7.295864      2.483735
  F     -10.122452     -7.588298      1.250102
  C      -8.570791     -6.408988      2.582207
  C      -1.532748     -4.377303      6.140168
  C      -2.311249     -4.944620      7.349158
  C      -3.769615     -5.025103      6.960470
  S      -4.378858     -6.495468      6.301765
  C      -4.694237     -4.084263      7.591448
  O      -5.917224     -4.094497      7.537956
  C      -0.022494     -4.292759      6.325465
  C       0.806214     -4.114066      5.201516
  C       2.184593     -3.937668      5.350337
  C       2.765752     -3.946708      6.617938
  C       1.933146     -4.135460      7.716832
  F       2.477044     -4.156647      8.952449
  C       0.555571     -4.300625      7.600999
  H      -2.589491     -2.441318      3.437464
  H      -4.855181     -1.903044      2.640166
  H      -4.322501     -2.047372      0.937475
  H      -3.657446      1.389711      3.300653
  H      -2.673495     -2.977728     -0.361537
  H      -0.610305     -2.966215     -1.696030
  H       1.621652     -2.643286     -0.595957
  H      -0.351541     -2.227738      3.188003
  H      -6.869548     -4.892912      5.092359
  H      -6.332268     -3.856647      2.372218
  H      -8.065688     -3.869622      2.696341
  H      -5.759203     -1.521348      5.433483
  H      -8.227610     -6.457767      5.968936
  H     -10.147138     -8.028597      5.743839
  H     -11.057905     -8.577551      3.469592
  H      -8.158156     -5.968558      1.673242
  H      -2.718375     -2.745934      6.739351
  H      -1.917230     -5.942497      7.587077
  H      -2.179867     -4.308062      8.239554
  H      -4.170697     -3.268763      8.169997
  H       0.367410     -4.146524      4.203553
  H       2.810233     -3.798166      4.467860
  H       3.838494     -3.819264      6.762691
  H      -0.033998     -4.441451      8.505907
  N      -2.132835     -2.994523      5.935445
  N      -1.203389     -1.901701      5.759729
  H      -0.955837     -1.429471      6.644149
  H      -0.316432     -2.285734      5.372781
  H      -1.640965     -1.207920      5.099039
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098013015780
  N      -3.457207     -4.124379      2.661100
  C      -3.464360     -5.090398      1.585683
  C      -2.565264     -6.226123      2.047235
  N      -3.149812     -6.751058      3.317594
  C      -4.275681     -7.686368      2.980052
  C      -5.558968     -7.245357      3.652405
  N      -5.571852     -5.800632      3.678428
  Mo     -3.908356     -4.900958      4.494394
  N      -1.901303     -5.130767      4.944612
  C      -1.179165     -6.384514      4.729604
  C      -2.118231     -7.427401      4.143475
  H      -0.756447     -6.783092      5.668827
  H      -0.318421     -6.223436      4.055447
  H      -2.646753     -7.951793      4.946744
  H      -1.571515     -8.165865      3.533135
  H      -6.414209     -7.646726      3.088972
  H      -5.641510     -7.669149      4.675853
  H      -4.412595     -7.671885      1.891839
  H      -3.995168     -8.709056      3.266698
  H      -3.104804     -4.688467      0.633060
  H      -4.495391     -5.467484      1.442388
  H      -1.564027     -5.827961      2.254551
  H      -2.481359     -7.045195      1.315268
  C      -2.890228     -2.805739      2.450489
  C      -4.003647     -1.784348      1.961512
  C      -3.530581     -0.381920      2.021536
  S      -2.971638      0.540251      0.789270
  C      -3.343590      0.332306      3.320116
  O      -2.727542     -0.131134      4.282802
  C      -1.667547     -2.747159      1.545987
  C      -1.724608     -2.879429      0.149896
  C      -0.558292     -2.868629     -0.617257
  C       0.694655     -2.709284     -0.020705
  C       0.731093     -2.521688      1.353957
  F       1.925764     -2.307621      1.968878
  C      -0.418159     -2.526610      2.134650
  C      -6.881427     -5.156684      4.020789
  C      -7.077188     -3.858975      3.184025
  C      -6.966375     -2.576556      3.968702
  S      -8.058499     -1.311102      3.814742
  C      -5.862138     -2.422176      4.824245
  O      -4.915044     -3.307898      4.921126
  C      -8.055689     -6.101130      3.844274
  C      -8.634777     -6.695011      4.971449
  C      -9.710476     -7.576515      4.836501
  C     -10.220359     -7.886764      3.575347
  C      -9.629098     -7.287692      2.466958
  F     -10.111297     -7.577472      1.230242
  C      -8.565041     -6.402679      2.572594
  C      -1.527382     -4.377508      6.138405
  C      -2.304454     -4.949159      7.345791
  C      -3.762486     -5.026645      6.955686
  S      -4.374603     -6.498864      6.302943
  C      -4.685899     -4.081450      7.582837
  O      -5.908510     -4.086825      7.524337
  C      -0.017411     -4.285846      6.324218
  C       0.811029     -4.090295      5.203069
  C       2.187920     -3.904762      5.354626
  C       2.768227     -3.918634      6.622504
  C       1.935547     -4.120008      7.719083
  F       2.477865     -4.143375      8.955497
  C       0.559505     -4.295242      7.600424
  H      -2.586001     -2.444617      3.438573
  H      -4.856998     -1.907984      2.640863
  H      -4.316350     -2.033918      0.939508
  H      -3.704809      1.381089      3.334433
  H      -2.684760     -2.960895     -0.359568
  H      -0.624254     -2.975798     -1.700617
  H       1.615404     -2.697728     -0.603654
  H      -0.340286     -2.268415      3.187253
  H      -6.872443     -4.895022      5.094198
  H      -6.319880     -3.849961      2.382298
  H      -8.056312     -3.865109      2.692780
  H      -5.754353     -1.523413      5.442145
  H      -8.240107     -6.457523      5.961045
  H     -10.161154     -8.024647      5.723073
  H     -11.060395     -8.568612      3.443106
  H      -8.146804     -5.961488      1.666567
  H      -2.710326     -2.737234      6.731432
  H      -1.911067     -5.948126      7.580169
  H      -2.173435     -4.315192      8.237905
  H      -4.160432     -3.262041      8.153923
  H       0.374285     -4.114731      4.204329
  H       2.812947     -3.753860      4.473557
  H       3.839745     -3.783746      6.769482
  H      -0.029634     -4.445545      8.504045
  N      -2.133988     -2.991402      5.928158
  N      -1.201475     -1.900256      5.754644
  H      -0.942925     -1.440025      6.642309
  H      -0.321288     -2.282764      5.353552
  H      -1.644777     -1.200480      5.103407
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098124185651
  N      -3.456810     -4.124419      2.665880
  C      -3.469974     -5.089549      1.589983
  C      -2.569290     -6.226186      2.046567
  N      -3.146286     -6.750780      3.320820
  C      -4.271356     -7.689780      2.990062
  C      -5.555988     -7.247059      3.659566
  N      -5.569221     -5.802452      3.684628
  Mo     -3.905308     -4.903034      4.499775
  N      -1.896138     -5.127326      4.947493
  C      -1.168518     -6.375141      4.720493
  C      -2.108865     -7.422267      4.144026
  H      -0.729438     -6.773230      5.652285
  H      -0.318322     -6.208150      4.034120
  H      -2.632934     -7.942621      4.952837
  H      -1.564177     -8.163068      3.534714
  H      -6.410126     -7.649250      3.095076
  H      -5.640253     -7.669080      4.683682
  H      -4.408390     -7.682780      1.901761
  H      -3.989326     -8.710087      3.283472
  H      -3.114278     -4.686899      0.635988
  H      -4.501730     -5.466562      1.451355
  H      -1.566206     -5.829385      2.246931
  H      -2.491452     -7.045302      1.314101
  C      -2.892967     -2.804929      2.451933
  C      -4.010427     -1.783232      1.972709
  C      -3.533672     -0.382037      2.027628
  S      -2.976937      0.538164      0.792972
  C      -3.329492      0.331812      3.324014
  O      -2.690622     -0.127268      4.273968
  C      -1.677540     -2.749409      1.537661
  C      -1.748674     -2.871431      0.141391
  C      -0.589175     -2.869252     -0.636073
  C       0.670779     -2.730029     -0.049262
  C       0.721649     -2.554090      1.326513
  F       1.924529     -2.359877      1.932080
  C      -0.420586     -2.550707      2.117574
  C      -6.879141     -5.157310      4.021460
  C      -7.068753     -3.856862      3.186839
  C      -6.965222     -2.577728      3.977969
  S      -8.065500     -1.318396      3.834794
  C      -5.860206     -2.424317      4.832850
  O      -4.912879     -3.310188      4.923130
  C      -8.053885     -6.099387      3.835878
  C      -8.641526     -6.694184      4.958095
  C      -9.717794     -7.573608      4.814364
  C     -10.219740     -7.880753      3.549261
  C      -9.620117     -7.280666      2.445931
  F     -10.094513     -7.567370      1.205486
  C      -8.555310     -6.397651      2.560300
  C      -1.524928     -4.374156      6.142031
  C      -2.302743     -4.947671      7.347795
  C      -3.760379     -5.028183      6.956758
  S      -4.368465     -6.503907      6.306923
  C      -4.686552     -4.089720      7.591053
  O      -5.909271     -4.103831      7.540684
  C      -0.015726     -4.280414      6.332785
  C       0.818831     -4.093269      5.214837
  C       2.194860     -3.906386      5.372182
  C       2.768867     -3.909774      6.642931
  C       1.930366     -4.102761      7.736503
  F       2.465816     -4.115573      8.976168
  C       0.555152     -4.279829      7.611934
  H      -2.580785     -2.444272      3.437764
  H      -4.856896     -1.905036      2.660808
  H      -4.334377     -2.032588      0.954221
  H      -3.703833      1.375847      3.348586
  H      -2.714598     -2.938972     -0.359129
  H      -0.665837     -2.967600     -1.719568
  H       1.586675     -2.725338     -0.639888
  H      -0.329846     -2.299866      3.170850
  H      -6.875393     -4.897975      5.095598
  H      -6.303254     -3.844708      2.393074
  H      -8.043294     -3.861953      2.686720
  H      -5.752270     -1.528360      5.454750
  H      -8.253006     -6.459214      5.950706
  H     -10.175128     -8.022617      5.697069
  H     -11.059982     -8.560981      3.410174
  H      -8.130281     -5.955551      1.657882
  H      -2.709447     -2.730752      6.731686
  H      -1.907442     -5.946027      7.581593
  H      -2.174452     -4.314223      8.240651
  H      -4.163004     -3.269745      8.163023
  H       0.389068     -4.126510      4.213544
  H       2.824131     -3.763359      4.492834
  H       3.839574     -3.773530      6.794414
  H      -0.038180     -4.423672      8.513834
  N      -2.128484     -2.986490      5.930728
  N      -1.195798     -1.894737      5.760761
  H      -0.923527     -1.448944      6.651719
  H      -0.323030     -2.273164      5.341946
  H      -1.647675     -1.186851      5.123808
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098236959573
  N      -3.462548     -4.121653      2.669145
  C      -3.480742     -5.085294      1.592024
  C      -2.577674     -6.222347      2.042884
  N      -3.145757     -6.747498      3.321067
  C      -4.269019     -7.691452      2.997319
  C      -5.555757     -7.247313      3.662565
  N      -5.569362     -5.802877      3.688539
  Mo     -3.905612     -4.903166      4.503524
  N      -1.891703     -5.118886      4.944078
  C      -1.159267     -6.361240      4.705042
  C      -2.100382     -7.413495      4.139193
  H      -0.703503     -6.758288      5.629049
  H      -0.320231     -6.187948      4.006177
  H      -2.617637     -7.931743      4.953732
  H      -1.557629     -8.154955      3.528943
  H      -6.408245     -7.649378      3.095440
  H      -5.643526     -7.668767      4.686663
  H      -4.404950     -7.693728      1.908822
  H      -3.984946     -8.708610      3.299317
  H      -3.129280     -4.681304      0.636867
  H      -4.513109     -5.462480      1.458309
  H      -1.573200     -5.825838      2.236383
  H      -2.504923     -7.041134      1.309653
  C      -2.893206     -2.804684      2.454956
  C      -4.007666     -1.778171      1.977483
  C      -3.527808     -0.379132      2.043677
  S      -2.944102      0.544849      0.824630
  C      -3.343691      0.332901      3.344075
  O      -2.710321     -0.123438      4.299189
  C      -1.680548     -2.759058      1.536252
  C      -1.760460     -2.872050      0.139821
  C      -0.605000     -2.884163     -0.643420
  C       0.659948     -2.770287     -0.061812
  C       0.720599     -2.605862      1.314951
  F       1.929983     -2.438967      1.915736
  C      -0.417447     -2.588249      2.111885
  C      -6.879694     -5.159525      4.024863
  C      -7.066144     -3.853874      3.196944
  C      -6.972803     -2.581165      3.999529
  S      -8.086236     -1.331730      3.875571
  C      -5.864936     -2.428267      4.850929
  O      -4.914149     -3.311545      4.929632
  C      -8.054039     -6.099965      3.828978
  C      -8.650696     -6.696601      4.945405
  C      -9.727002     -7.574306      4.791678
  C     -10.219883     -7.877934      3.522184
  C      -9.611305     -7.276102      2.424711
  F     -10.076682     -7.559524      1.180096
  C      -8.546307     -6.394712      2.549023
  C      -1.520335     -4.364577      6.138054
  C      -2.297073     -4.938310      7.343767
  C      -3.754901     -5.026208      6.953876
  S      -4.358770     -6.506630      6.308812
  C      -4.684316     -4.090475      7.588309
  O      -5.906949     -4.111039      7.541449
  C      -0.011015     -4.270804      6.331483
  C       0.829128     -4.101674      5.214908
  C       2.204273     -3.911819      5.375775
  C       2.772808     -3.895696      6.648909
  C       1.929482     -4.073547      7.741193
  F       2.458927     -4.068028      8.983558
  C       0.554958     -4.253285      7.612868
  H      -2.575642     -2.445554      3.440057
  H      -4.857099     -1.902724      2.661115
  H      -4.327670     -2.020599      0.956101
  H      -3.732993      1.371410      3.370921
  H      -2.730156     -2.922523     -0.355528
  H      -0.688426     -2.974512     -1.727109
  H       1.573107     -2.777269     -0.656640
  H      -0.317473     -2.346663      3.166340
  H      -6.879417     -4.906335      5.100589
  H      -6.291788     -3.834097      2.412137
  H      -8.035604     -3.858337      2.687243
  H      -5.757579     -1.536963      5.479551
  H      -8.269109     -6.464584      5.941383
  H     -10.191343     -8.024893      5.669905
  H     -11.059812     -8.556902      3.375268
  H      -8.113922     -5.951157      1.650817
  H      -2.711409     -2.730856      6.739250
  H      -1.897093     -5.934646      7.578246
  H      -2.171739     -4.304164      8.236604
  H      -4.163677     -3.268260      8.159716
  H       0.405889     -4.151667      4.211606
  H       2.837264     -3.782178      4.497014
  H       3.842803     -3.756866      6.803024
  H      -0.041712     -4.385011      8.514402
  N      -2.124946     -2.979440      5.935124
  N      -1.192943     -1.886128      5.768286
  H      -0.907735     -1.453600      6.661775
  H      -0.328139     -2.258620      5.330178
  H      -1.655907     -1.171596      5.145784
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098319577763
  N      -3.462382     -4.122327      2.671415
  C      -3.485779     -5.086039      1.594399
  C      -2.581492     -6.223645      2.041710
  N      -3.143048     -6.747797      3.323407
  C      -4.265607     -7.695219      3.006730
  C      -5.553430     -7.248565      3.668943
  N      -5.566791     -5.804229      3.692864
  Mo     -3.902551     -4.903975      4.506459
  N      -1.886994     -5.115236      4.944906
  C      -1.151343     -6.353793      4.698171
  C      -2.092880     -7.409435      4.139375
  H      -0.684606     -6.749925      5.616922
  H      -0.319731     -6.176697      3.991202
  H      -2.606552     -7.924926      4.957966
  H      -1.551337     -8.152424      3.529926
  H      -6.405147     -7.651241      3.101092
  H      -5.643083     -7.667850      4.693797
  H      -4.401254     -7.706115      1.918253
  H      -3.980483     -8.709692      3.316593
  H      -3.137694     -4.682273      0.637834
  H      -4.518785     -5.462898      1.465139
  H      -1.575475     -5.828169      2.228980
  H      -2.513827     -7.042729      1.308379
  C      -2.891398     -2.806536      2.454963
  C      -4.008024     -1.778027      1.986704
  C      -3.529223     -0.379007      2.057193
  S      -2.939638      0.548645      0.843789
  C      -3.351206      0.332243      3.358925
  O      -2.720302     -0.123400      4.316073
  C      -1.684734     -2.764188      1.527643
  C      -1.775386     -2.865585      0.131023
  C      -0.625384     -2.883465     -0.660263
  C       0.644677     -2.787769     -0.086552
  C       0.716612     -2.636567      1.291173
  F       1.931763     -2.488255      1.885202
  C      -0.415752     -2.613502      2.095846
  C      -6.877138     -5.160363      4.026736
  C      -7.059376     -3.851598      3.202002
  C      -6.973943     -2.582877      4.011726
  S      -8.097263     -1.341537      3.901411
  C      -5.864396     -2.430573      4.861269
  O      -4.912156     -3.312722      4.931258
  C      -8.052173     -6.098349      3.823362
  C      -8.657237     -6.694247      4.935607
  C      -9.734434     -7.569567      4.774491
  C     -10.219763     -7.871537      3.501720
  C      -9.602841     -7.270469      2.408475
  F     -10.060706     -7.552395      1.160732
  C      -8.536843     -6.391389      2.540102
  C      -1.517014     -4.361543      6.139621
  C      -2.295197     -4.934362      7.344662
  C      -3.752103     -5.025347      6.952392
  S      -4.353009     -6.508852      6.311193
  C      -4.684320     -4.089455      7.583217
  O      -5.906745     -4.112079      7.534069
  C      -0.008072     -4.266791      6.336906
  C       0.836980     -4.105062      5.223165
  C       2.211458     -3.914461      5.388609
  C       2.774825     -3.889574      6.663900
  C       1.926713     -4.060061      7.753604
  F       2.450576     -4.046228      8.998329
  C       0.552795     -4.241014      7.620473
  H      -2.565919     -2.449676      3.438562
  H      -4.854932     -1.906117      2.672885
  H      -4.331770     -2.016443      0.965597
  H      -3.746309      1.368446      3.387052
  H      -2.748949     -2.903610     -0.357873
  H      -0.717101     -2.964126     -1.744045
  H       1.553670     -2.798924     -0.687678
  H      -0.305512     -2.384685      3.151998
  H      -6.880160     -4.910384      5.103285
  H      -6.277636     -3.827842      2.424797
  H      -8.024423     -3.855592      2.684147
  H      -5.757411     -1.542672      5.494739
  H      -8.281493     -6.463712      5.934132
  H     -10.205314     -8.019686      5.649469
  H     -11.060097     -8.548732      3.349058
  H      -8.097677     -5.948340      1.644939
  H      -2.709949     -2.728334      6.737565
  H      -1.893972     -5.929744      7.580924
  H      -2.172902     -4.299010      8.237008
  H      -4.165999     -3.264793      8.153218
  H       0.419336     -4.161551      4.218137
  H       2.847977     -3.790960      4.511475
  H       3.844162     -3.749743      6.821579
  H      -0.047245     -4.367271      8.520570
  N      -2.122778     -2.975973      5.934480
  N      -1.191945     -1.880406      5.771296
  H      -0.895953     -1.459314      6.666759
  H      -0.333706     -2.246409      5.316502
  H      -1.662994     -1.159113      5.162031
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098463981898
  N      -3.460087     -4.123752      2.673512
  C      -3.486287     -5.086268      1.595178
  C      -2.583261     -6.225810      2.040171
  N      -3.142032     -6.749195      3.323457
  C      -4.264799     -7.697731      3.010563
  C      -5.552508     -7.249721      3.672366
  N      -5.565434     -5.805408      3.696165
  Mo     -3.900267     -4.905022      4.507822
  N      -1.885701     -5.116739      4.947562
  C      -1.148611     -6.353026      4.696030
  C      -2.090061     -7.409466      4.138611
  H      -0.677133     -6.750128      5.611766
  H      -0.320457     -6.172668      3.985702
  H      -2.602942     -7.924158      4.958262
  H      -1.548795     -8.152822      3.529411
  H      -6.404437     -7.651871      3.104487
  H      -5.642548     -7.668452      4.697356
  H      -4.400970     -7.712589      1.922221
  H      -3.979408     -8.711042      3.323947
  H      -3.137997     -4.681498      0.638993
  H      -4.519867     -5.461346      1.466394
  H      -1.575653     -5.832661      2.223850
  H      -2.519657     -7.044632      1.306206
  C      -2.884470     -2.810140      2.456463
  C      -4.002016     -1.779543      1.995419
  C      -3.525449     -0.379255      2.058896
  S      -2.939949      0.543114      0.839127
  C      -3.346775      0.338537      3.356817
  O      -2.728064     -0.117499      4.321665
  C      -1.682328     -2.769405      1.522169
  C      -1.780457     -2.859547      0.125224
  C      -0.634505     -2.875092     -0.672136
  C       0.639125     -2.788519     -0.104981
  C       0.719324     -2.651833      1.273736
  F       1.937859     -2.515580      1.863372
  C      -0.408766     -2.631789      2.084182
  C      -6.875875     -5.162159      4.030675
  C      -7.056942     -3.850312      3.209866
  C      -6.978229     -2.585852      4.026676
  S      -8.110889     -1.352455      3.930736
  C      -5.866785     -2.434751      4.874308
  O      -4.912269     -3.314853      4.933805
  C      -8.051486     -6.098297      3.822545
  C      -8.662828     -6.692707      4.932107
  C      -9.741192     -7.565746      4.766211
  C     -10.221349     -7.866956      3.491337
  C      -9.598165     -7.267399      2.400775
  F     -10.050820     -7.548764      1.150991
  C      -8.530991     -6.390521      2.537115
  C      -1.516416     -4.362079      6.141577
  C      -2.295104     -4.932499      7.347751
  C      -3.750889     -5.027274      6.953468
  S      -4.349145     -6.512067      6.313508
  C      -4.685991     -4.089506      7.577554
  O      -5.908207     -4.112248      7.522909
  C      -0.007894     -4.264614      6.340382
  C       0.839068     -4.101432      5.228639
  C       2.212976     -3.909120      5.396813
  C       2.773969     -3.883313      6.673170
  C       1.923793     -4.054613      7.761071
  F       2.444888     -4.039973      9.006979
  C       0.550372     -4.237456      7.625065
  H      -2.551630     -2.456590      3.439031
  H      -4.845272     -1.906227      2.686430
  H      -4.331851     -2.020468      0.976895
  H      -3.731081      1.378926      3.376113
  H      -2.756184     -2.891947     -0.359872
  H      -0.732451     -2.946463     -1.756025
  H       1.544628     -2.796947     -0.711416
  H      -0.290368     -2.422537      3.143605
  H      -6.879751     -4.915730      5.108054
  H      -6.270236     -3.822392      2.437962
  H      -8.018953     -3.854372      2.686512
  H      -5.760750     -1.551005      5.513716
  H      -8.291152     -6.462932      5.932315
  H     -10.216928     -8.014777      5.639120
  H     -11.062337     -8.542496      3.334988
  H      -8.086654     -5.948631      1.643926
  H      -2.715011     -2.729990      6.730881
  H      -1.892453     -5.926441      7.587669
  H      -2.175466     -4.294043      8.238182
  H      -4.170354     -3.262625      8.146850
  H       0.424287     -4.157247      4.222580
  H       2.850970     -3.784403      4.520919
  H       3.842797     -3.741927      6.832849
  H      -0.050978     -4.364693      8.524181
  N      -2.124344     -2.977467      5.930652
  N      -1.198300     -1.877179      5.771544
  H      -0.895908     -1.461767      6.667612
  H      -0.342764     -2.233385      5.305045
  H      -1.676367     -1.152505      5.171485
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098652376013
  N      -3.450872     -4.130198      2.674128
  C      -3.474623     -5.092992      1.595384
  C      -2.576384     -6.234688      2.044478
  N      -3.141303     -6.755478      3.325981
  C      -4.265794     -7.701026      3.011084
  C      -5.552498     -7.250883      3.673069
  N      -5.563342     -5.806414      3.695311
  Mo     -3.897718     -4.906188      4.506683
  N      -1.887990     -5.126493      4.953840
  C      -1.153688     -6.365780      4.709687
  C      -2.094361     -7.418834      4.145054
  H      -0.692733     -6.764187      5.630244
  H      -0.318586     -6.187718      4.007113
  H      -2.612086     -7.934659      4.960952
  H      -1.551585     -8.161849      3.536836
  H      -6.405306     -7.651780      3.105700
  H      -5.642917     -7.668910      4.698204
  H      -4.401342     -7.714628      1.922672
  H      -3.982949     -8.715295      3.323765
  H      -3.121122     -4.688553      0.640979
  H      -4.508443     -5.465253      1.462007
  H      -1.568086     -5.844425      2.231106
  H      -2.512384     -7.053993      1.310996
  C      -2.872317     -2.817808      2.457785
  C      -3.994314     -1.788461      2.005627
  C      -3.527418     -0.383739      2.055344
  S      -2.962539      0.530351      0.818821
  C      -3.342481      0.342012      3.347250
  O      -2.745244     -0.118759      4.323198
  C      -1.674541     -2.769996      1.517950
  C      -1.777244     -2.848051      0.120518
  C      -0.634316     -2.845983     -0.681464
  C       0.641083     -2.752466     -0.119751
  C       0.726297     -2.630420      1.260015
  F       1.945499     -2.492399      1.847149
  C      -0.398779     -2.628704      2.074589
  C      -6.873548     -5.162280      4.030688
  C      -7.054300     -3.849974      3.210109
  C      -6.979044     -2.587076      4.029201
  S      -8.114980     -1.356976      3.937894
  C      -5.867846     -2.437246      4.877738
  O      -4.911621     -3.315512      4.931752
  C      -8.050912     -6.096276      3.823368
  C      -8.666172     -6.685167      4.933657
  C      -9.747248     -7.555070      4.768554
  C     -10.226166     -7.858688      3.493849
  C      -9.599064     -7.264584      2.402477
  F     -10.050431     -7.548507      1.152786
  C      -8.529310     -6.390795      2.537957
  C      -1.518346     -4.368951      6.145056
  C      -2.296385     -4.935410      7.354182
  C      -3.751731     -5.029956      6.959990
  S      -4.352307     -6.511475      6.317064
  C      -4.685807     -4.088151      7.578739
  O      -5.908088     -4.106195      7.518792
  C      -0.010071     -4.266629      6.341721
  C       0.834510     -4.104688      5.228509
  C       2.208447     -3.910033      5.394057
  C       2.771386     -3.881413      6.669573
  C       1.923312     -4.052464      7.759097
  F       2.446506     -4.035668      9.004071
  C       0.549844     -4.237242      7.625501
  H      -2.533729     -2.468078      3.439664
  H      -4.831458     -1.915380      2.704191
  H      -4.331955     -2.036609      0.991381
  H      -3.699338      1.392228      3.351640
  H      -2.753506     -2.884913     -0.363230
  H      -0.736677     -2.908221     -1.765513
  H       1.543472     -2.746147     -0.730858
  H      -0.274665     -2.446252      3.138570
  H      -6.876054     -4.916324      5.108123
  H      -6.265693     -3.821439      2.440151
  H      -8.014990     -3.855011      2.684338
  H      -5.763930     -1.556036      5.520995
  H      -8.295556     -6.453643      5.933851
  H     -10.225957     -7.999770      5.642063
  H     -11.069091     -8.531961      3.338165
  H      -8.081912     -5.952959      1.644286
  H      -2.729235     -2.740276      6.718313
  H      -1.894354     -5.928675      7.598054
  H      -2.176044     -4.293143      8.241671
  H      -4.169646     -3.260721      8.146824
  H       0.417772     -4.163781      4.223493
  H       2.845255     -3.785620      4.517270
  H       3.840294     -3.738284      6.827147
  H      -0.049854     -4.364007      8.525765
  N      -2.131958     -2.987394      5.925156
  N      -1.211642     -1.882726      5.769808
  H      -0.908488     -1.466108      6.665290
  H      -0.353883     -2.228501      5.299828
  H      -1.692028     -1.156952      5.172695
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098814997174
  N      -3.442369     -4.134778      2.674001
  C      -3.460199     -5.097157      1.594471
  C      -2.566990     -6.240484      2.049481
  N      -3.141063     -6.759769      3.327293
  C      -4.266957     -7.701100      3.006118
  C      -5.553063     -7.250091      3.667916
  N      -5.561926     -5.805469      3.691290
  Mo     -3.896153     -4.906962      4.504695
  N      -1.890789     -5.135404      4.958208
  C      -1.160609     -6.379345      4.723897
  C      -2.101132     -7.427976      4.151336
  H      -0.712636     -6.778635      5.650682
  H      -0.317114     -6.206297      4.030519
  H      -2.624667     -7.944927      4.962742
  H      -1.556956     -8.170790      3.544127
  H      -6.406300     -7.648856      3.099681
  H      -5.644826     -7.669187      4.692419
  H      -4.400459     -7.710126      1.917379
  H      -3.987262     -8.717263      3.315441
  H      -3.099593     -4.692169      0.642818
  H      -4.493847     -5.467214      1.453858
  H      -1.559108     -5.852222      2.242852
  H      -2.499490     -7.060045      1.316577
  C      -2.861799     -2.822778      2.460464
  C      -3.985626     -1.791801      2.015809
  C      -3.521955     -0.385189      2.053435
  S      -2.971853      0.519279      0.802359
  C      -3.330092      0.346141      3.340176
  O      -2.747010     -0.118426      4.322859
  C      -1.668808     -2.771611      1.515967
  C      -1.777539     -2.837067      0.118444
  C      -0.638170     -2.823929     -0.688500
  C       0.639659     -2.731504     -0.132062
  C       0.730972     -2.624991      1.248722
  F       1.952186     -2.492649      1.832596
  C      -0.390738     -2.634892      2.067789
  C      -6.871879     -5.162239      4.029919
  C      -7.053716     -3.848258      3.212204
  C      -6.982123     -2.588704      4.036357
  S      -8.120881     -1.361169      3.951243
  C      -5.869838     -2.440374      4.883987
  O      -4.911115     -3.316335      4.931183
  C      -8.050063     -6.095205      3.823253
  C      -8.666425     -6.681759      4.934133
  C      -9.749215     -7.549756      4.769981
  C     -10.228627     -7.853914      3.495638
  C      -9.600295     -7.262256      2.403589
  F     -10.052110     -7.546912      1.154217
  C      -8.528983     -6.390300      2.538105
  C      -1.521511     -4.374272      6.146661
  C      -2.298811     -4.939294      7.358021
  C      -3.754530     -5.033779      6.965439
  S      -4.356315     -6.511516      6.316958
  C      -4.687487     -4.092455      7.585547
  O      -5.910054     -4.109778      7.526834
  C      -0.013604     -4.266565      6.341698
  C       0.828316     -4.104876      5.226749
  C       2.201658     -3.904339      5.389359
  C       2.766242     -3.869005      6.664071
  C       1.920589     -4.039112      7.755631
  F       2.445591     -4.015010      8.999712
  C       0.547584     -4.229792      7.624714
  H      -2.517965     -2.476710      3.441693
  H      -4.816721     -1.916644      2.721437
  H      -4.331378     -2.045035      1.005525
  H      -3.662021      1.404496      3.332690
  H      -2.755269     -2.872173     -0.362587
  H      -0.745609     -2.876238     -1.772593
  H       1.538793     -2.716262     -0.747781
  H      -0.260792     -2.480377      3.135868
  H      -6.872129     -4.918625      5.107879
  H      -6.263358     -3.816544      2.444152
  H      -8.013196     -3.853733      2.684265
  H      -5.766995     -1.561946      5.531192
  H      -8.295387     -6.449941      5.934104
  H     -10.228751     -7.992523      5.644019
  H     -11.072791     -8.525802      3.340686
  H      -8.080735     -5.954066      1.644067
  H      -2.741861     -2.747499      6.707759
  H      -1.896531     -5.932014      7.603997
  H      -2.177285     -4.294998      8.243860
  H      -4.170716     -3.266967      8.156068
  H       0.409363     -4.168654      4.223021
  H       2.837065     -3.780463      4.511443
  H       3.834819     -3.720875      6.819317
  H      -0.050467     -4.354852      8.526297
  N      -2.136915     -2.995725      5.920603
  N      -1.222069     -1.888434      5.766059
  H      -0.915896     -1.471656      6.660834
  H      -0.364839     -2.228533      5.291930
  H      -1.705131     -1.162331      5.170954
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.098968554035
  N      -3.429565     -4.139169      2.671518
  C      -3.437175     -5.102354      1.592534
  C      -2.550282     -6.246478      2.057819
  N      -3.139125     -6.764063      3.329318
  C      -4.266615     -7.698839      2.996783
  C      -5.552115     -7.247909      3.658691
  N      -5.559555     -5.803042      3.683070
  Mo     -3.894139     -4.906449      4.500249
  N      -1.893722     -5.146284      4.962339
  C      -1.170266     -6.397705      4.745232
  C      -2.110686     -7.439868      4.161359
  H      -0.742514     -6.796641      5.682004
  H      -0.313481     -6.234535      4.066317
  H      -2.643565     -7.957503      4.966033
  H      -1.564647     -8.183237      3.556456
  H      -6.405566     -7.645050      3.089671
  H      -5.644840     -7.668403      4.682513
  H      -4.396993     -7.698687      1.907611
  H      -3.991253     -8.718389      3.298857
  H      -3.066570     -4.697636      0.644536
  H      -4.469927     -5.470964      1.441252
  H      -1.544203     -5.859498      2.262985
  H      -2.475474     -7.066756      1.326355
  C      -2.852574     -2.824646      2.461543
  C      -3.980603     -1.794674      2.023498
  C      -3.521487     -0.385881      2.050939
  S      -2.991210      0.512274      0.785987
  C      -3.321607      0.346451      3.334634
  O      -2.751231     -0.124977      4.321532
  C      -1.663490     -2.766409      1.514365
  C      -1.778004     -2.814838      0.116737
  C      -0.641940     -2.789400     -0.694492
  C       0.637918     -2.700737     -0.141967
  C       0.734664     -2.613394      1.239925
  F       1.958103     -2.488824      1.820613
  C      -0.383933     -2.636301      2.063210
  C      -6.869128     -5.160834      4.025941
  C      -7.054049     -3.846799      3.209431
  C      -6.983688     -2.588933      4.035957
  S      -8.123628     -1.362347      3.954433
  C      -5.870425     -2.441236      4.882440
  O      -4.909413     -3.315216      4.925795
  C      -8.048066     -6.093883      3.824319
  C      -8.659808     -6.679499      4.938241
  C      -9.743743     -7.547083      4.779448
  C     -10.228966     -7.851666      3.507437
  C      -9.605260     -7.260835      2.412258
  F     -10.062927     -7.545926      1.165124
  C      -8.532982     -6.389298      2.541465
  C      -1.525794     -4.380268      6.147656
  C      -2.303310     -4.943040      7.360577
  C      -3.759557     -5.034755      6.969182
  S      -4.364256     -6.507896      6.314465
  C      -4.689675     -4.092806      7.591212
  O      -5.912528     -4.107182      7.533408
  C      -0.018441     -4.268925      6.342324
  C       0.822486     -4.121132      5.224879
  C       2.195651     -3.917090      5.383946
  C       2.760504     -3.864601      6.657995
  C       1.915842     -4.021880      7.752276
  F       2.441700     -3.980546      8.995508
  C       0.543005     -4.216174      7.624636
  H      -2.506872     -2.480590      3.442637
  H      -4.805260     -1.919509      2.736113
  H      -4.334033     -2.052433      1.017080
  H      -3.633027      1.411011      3.320640
  H      -2.757462     -2.845745     -0.361103
  H      -0.753807     -2.828698     -1.778689
  H       1.534235     -2.675838     -0.761443
  H      -0.248813     -2.513361      3.134956
  H      -6.865384     -4.917622      5.103989
  H      -6.264306     -3.812851      2.440782
  H      -8.013823     -3.853465      2.682003
  H      -5.768233     -1.564099      5.531467
  H      -8.284156     -6.447359      5.936419
  H     -10.219578     -7.989045      5.655915
  H     -11.074170     -8.523184      3.356613
  H      -8.088708     -5.953335      1.645304
  H      -2.756571     -2.755325      6.694628
  H      -1.902273     -5.935838      7.608320
  H      -2.179554     -4.297007      8.244844
  H      -4.170609     -3.269224      8.162409
  H       0.401529     -4.200249      4.223049
  H       2.831135     -3.804932      4.504517
  H       3.829024     -3.713344      6.810679
  H      -0.054763     -4.330294      8.527865
  N      -2.143421     -3.005243      5.914610
  N      -1.231318     -1.898239      5.757984
  H      -0.922093     -1.480658      6.651652
  H      -0.374974     -2.237802      5.282179
  H      -1.715238     -1.172838      5.162024
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099105776560
  N      -3.417206     -4.141159      2.667828
  C      -3.414286     -5.104622      1.589413
  C      -2.532688     -6.248606      2.064717
  N      -3.136172     -6.765593      3.329540
  C      -4.264808     -7.693525      2.983209
  C      -5.549931     -7.244548      3.645723
  N      -5.556824     -5.799367      3.673317
  Mo     -3.891711     -4.905608      4.495538
  N      -1.894772     -5.155187      4.965033
  C      -1.178869     -6.414171      4.764546
  C      -2.119158     -7.449729      4.168690
  H      -0.770828     -6.812723      5.710430
  H      -0.309454     -6.261274      4.099871
  H      -2.661194     -7.968761      4.966142
  H      -1.571441     -8.193102      3.565266
  H      -6.403294     -7.639985      3.075317
  H      -5.643504     -7.667937      4.668275
  H      -4.391912     -7.681175      1.893728
  H      -3.993438     -8.717127      3.275151
  H      -3.034073     -4.699797      0.645067
  H      -4.445800     -5.472410      1.427328
  H      -1.529338     -5.861424      2.282461
  H      -2.449197     -7.069412      1.334742
  C      -2.847232     -2.823047      2.460929
  C      -3.980212     -1.794897      2.028801
  C      -3.523398     -0.384929      2.051234
  S      -3.006991      0.511519      0.778970
  C      -3.317450      0.345121      3.334384
  O      -2.750190     -0.131258      4.320842
  C      -1.661477     -2.760396      1.510775
  C      -1.783236     -2.789287      0.113352
  C      -0.650798     -2.759302     -0.702745
  C       0.632004     -2.685846     -0.154376
  C       0.735693     -2.621230      1.228305
  F       1.963131     -2.516031      1.804606
  C      -0.379212     -2.649293      2.056635
  C      -6.866056     -5.159241      4.021969
  C      -7.054530     -3.844673      3.207815
  C      -6.984960     -2.589036      4.037726
  S      -8.126997     -1.363938      3.962587
  C      -5.869910     -2.442079      4.881823
  O      -4.906591     -3.314272      4.920334
  C      -8.045177     -6.093206      3.825787
  C      -8.649230     -6.680951      4.942832
  C      -9.733453     -7.549192      4.789933
  C     -10.226733     -7.852227      3.520640
  C      -9.610646     -7.259309      2.422292
  F     -10.076521     -7.542668      1.177820
  C      -8.538183     -6.387140      2.545711
  C      -1.529054     -4.384628      6.148347
  C      -2.309187     -4.944300      7.361543
  C      -3.765434     -5.033759      6.968977
  S      -4.371834     -6.503804      6.309022
  C      -4.694157     -4.090884      7.590763
  O      -5.917089     -4.103493      7.532204
  C      -0.022222     -4.271840      6.345761
  C       0.820511     -4.136001      5.228110
  C       2.192892     -3.927488      5.387031
  C       2.754906     -3.858218      6.661535
  C       1.908577     -4.003258      7.756279
  F       2.432121     -3.944283      8.999744
  C       0.536355     -4.202017      7.628593
  H      -2.501061     -2.479424      3.441813
  H      -4.799051     -1.921238      2.747461
  H      -4.340507     -2.054399      1.025395
  H      -3.620545      1.412143      3.320518
  H      -2.765565     -2.809213     -0.359068
  H      -0.767647     -2.783234     -1.786859
  H       1.525595     -2.657805     -0.777621
  H      -0.238731     -2.558124      3.130828
  H      -6.857961     -4.916951      5.100199
  H      -6.265280     -3.807245      2.438716
  H      -8.014626     -3.851897      2.681002
  H      -5.767017     -1.566278      5.532506
  H      -8.267306     -6.449734      5.938855
  H     -10.203285     -7.992631      5.668887
  H     -11.072505     -8.524027      3.374315
  H      -8.100298     -5.949261      1.647345
  H      -2.761801     -2.757575      6.686878
  H      -1.909557     -5.936909      7.612074
  H      -2.185042     -4.296421      8.244431
  H      -4.174188     -3.269546      8.164268
  H       0.399816     -4.227315      4.227258
  H       2.830134     -3.825113      4.507656
  H       3.822832     -3.702839      6.814339
  H      -0.063309     -4.305786      8.531843
  N      -2.145510     -3.011721      5.910027
  N      -1.233546     -1.906357      5.747465
  H      -0.918244     -1.489724      6.639571
  H      -0.381319     -2.250059      5.267508
  H      -1.719260     -1.181075      5.151988
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099230507458
  N      -3.403902     -4.138160      2.662393
  C      -3.390112     -5.101003      1.584041
  C      -2.514095     -6.245308      2.068577
  N      -3.132515     -6.762788      3.326115
  C      -4.262228     -7.683216      2.964205
  C      -5.546087     -7.239309      3.630887
  N      -5.554728     -5.793853      3.662603
  Mo     -3.889681     -4.902221      4.489107
  N      -1.895764     -5.162437      4.967060
  C      -1.187802     -6.428158      4.781991
  C      -2.127572     -7.456365      4.171925
  H      -0.799373     -6.827375      5.735899
  H      -0.305935     -6.284676      4.131973
  H      -2.679815     -7.977327      4.960992
  H      -1.578142     -8.199388      3.569675
  H      -6.400050     -7.634214      3.060921
  H      -5.637022     -7.666605      4.652068
  H      -4.388201     -7.653870      1.874979
  H      -3.993690     -8.711854      3.240949
  H      -2.999212     -4.695035      0.644203
  H      -4.419962     -5.467871      1.409327
  H      -1.513682     -5.858032      2.299123
  H      -2.422044     -7.066131      1.339584
  C      -2.843573     -2.815750      2.457507
  C      -3.981502     -1.792130      2.026543
  C      -3.528038     -0.380645      2.046012
  S      -3.027821      0.518494      0.769234
  C      -3.316048      0.346103      3.329765
  O      -2.749724     -0.134307      4.314874
  C      -1.658311     -2.749925      1.506965
  C      -1.785034     -2.756727      0.109803
  C      -0.654738     -2.724864     -0.709177
  C       0.630005     -2.672341     -0.162735
  C       0.738465     -2.634056      1.220488
  F       1.969395     -2.553950      1.793711
  C      -0.373921     -2.664859      2.052284
  C      -6.863886     -5.157621      4.019288
  C      -7.060025     -3.843762      3.206752
  C      -6.989071     -2.588886      4.037776
  S      -8.133254     -1.365216      3.969062
  C      -5.870507     -2.440683      4.876729
  O      -4.905214     -3.311450      4.910760
  C      -8.041609     -6.095267      3.832500
  C      -8.630656     -6.689071      4.954461
  C      -9.712926     -7.561263      4.811097
  C     -10.219426     -7.862070      3.546431
  C      -9.618276     -7.263119      2.443156
  F     -10.097493     -7.543874      1.203190
  C      -8.547822     -6.387111      2.557201
  C      -1.533402     -4.387868      6.149144
  C      -2.318727     -4.942018      7.361500
  C      -3.773849     -5.028904      6.964393
  S      -4.380910     -6.497352      6.300980
  C      -4.702622     -4.084180      7.582977
  O      -5.925380     -4.095049      7.520294
  C      -0.027240     -4.277022      6.352113
  C       0.820852     -4.159746      5.236292
  C       2.193088     -3.952708      5.398128
  C       2.749449     -3.866341      6.673996
  C       1.898013     -3.993446      7.767044
  F       2.416546     -3.917686      9.011681
  C       0.525927     -4.190798      7.636386
  H      -2.500576     -2.470039      3.438654
  H      -4.796652     -1.920054      2.748884
  H      -4.346099     -2.053814      1.025414
  H      -3.617259      1.413737      3.318951
  H      -2.769839     -2.762930     -0.357639
  H      -0.774416     -2.731063     -1.793221
  H       1.522303     -2.642892     -0.787766
  H      -0.229981     -2.605667      3.128035
  H      -6.849636     -4.914868      5.097304
  H      -6.274492     -3.803014      2.433958
  H      -8.022556     -3.852647      2.684411
  H      -5.765436     -1.564795      5.526879
  H      -8.238535     -6.459081      5.946814
  H     -10.171081     -8.009276      5.693886
  H     -11.064306     -8.536554      3.407471
  H      -8.122081     -5.944567      1.655302
  H      -2.762665     -2.754796      6.678951
  H      -1.921807     -5.934487      7.616587
  H      -2.195933     -4.291326      8.242505
  H      -4.182849     -3.263627      8.157507
  H       0.402891     -4.265080      4.235619
  H       2.834604     -3.865493      4.520260
  H       3.817112     -3.711756      6.829435
  H      -0.078204     -4.280769      8.538170
  N      -2.148040     -3.015619      5.902886
  N      -1.233148     -1.913598      5.730193
  H      -0.912309     -1.495594      6.619562
  H      -0.385072     -2.265330      5.248727
  H      -1.719712     -1.190113      5.132880
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099345565875
  N      -3.391578     -4.135755      2.657721
  C      -3.368993     -5.098562      1.579823
  C      -2.497163     -6.242501      2.072423
  N      -3.128645     -6.760245      3.323618
  C      -4.259153     -7.673793      2.946775
  C      -5.541944     -7.235395      3.617368
  N      -5.552149     -5.789679      3.652977
  Mo     -3.887167     -4.899915      4.484670
  N      -1.894410     -5.168715      4.969652
  C      -1.196154     -6.441873      4.800051
  C      -2.134845     -7.462731      4.174965
  H      -0.828077     -6.842271      5.761490
  H      -0.301942     -6.308159      4.165182
  H      -2.696650     -7.986821      4.955214
  H      -1.583484     -8.204508      3.573046
  H      -6.396341     -7.629843      3.047627
  H      -5.630549     -7.666790      4.637025
  H      -4.384208     -7.627369      1.858118
  H      -3.992936     -8.707166      3.208020
  H      -2.969508     -4.692138      0.643569
  H      -4.397161     -5.464828      1.394683
  H      -1.499741     -5.854213      2.313916
  H      -2.397040     -7.063572      1.344697
  C      -2.841949     -2.809536      2.452208
  C      -3.987593     -1.793494      2.023799
  C      -3.541779     -0.379388      2.045121
  S      -3.056058      0.529304      0.769972
  C      -3.326128      0.343214      3.330930
  O      -2.747333     -0.135639      4.309609
  C      -1.657233     -2.739862      1.500095
  C      -1.788988     -2.720229      0.103574
  C      -0.660993     -2.687945     -0.718629
  C       0.625713     -2.662805     -0.174955
  C       0.739264     -2.655188      1.208244
  F       1.973819     -2.607014      1.777759
  C      -0.370210     -2.686872      2.043751
  C      -6.861220     -5.156066      4.016400
  C      -7.062997     -3.843276      3.204168
  C      -6.990003     -2.587987      4.034719
  S      -8.135925     -1.365576      3.971203
  C      -5.868833     -2.438688      4.869774
  O      -4.902660     -3.308916      4.900531
  C      -8.038074     -6.096510      3.838244
  C      -8.613358     -6.696001      4.964470
  C      -9.694106     -7.571315      4.829691
  C     -10.213144     -7.869410      3.569384
  C      -9.625759     -7.264782      2.461895
  F     -10.117709     -7.542243      1.226192
  C      -8.556766     -6.385801      2.567501
  C      -1.535081     -4.390853      6.150899
  C      -2.326860     -4.938030      7.361946
  C      -3.780268     -5.022056      6.958375
  S      -4.389183     -6.489995      6.294650
  C      -4.709500     -4.072642      7.569345
  O      -5.931872     -4.081088      7.500065
  C      -0.029447     -4.282638      6.360675
  C       0.825002     -4.177345      5.248417
  C       2.196625     -3.970725      5.415443
  C       2.746240     -3.872836      6.693334
  C       1.888723     -3.987734      7.783023
  F       2.400967     -3.900584      9.029539
  C       0.517063     -4.184148      7.647090
  H      -2.501650     -2.460482      3.433026
  H      -4.799314     -1.927388      2.749096
  H      -4.355157     -2.056003      1.024090
  H      -3.638191      1.407781      3.327950
  H      -2.776328     -2.708910     -0.358087
  H      -0.783528     -2.672871     -1.802257
  H       1.516779     -2.633188     -0.801761
  H      -0.222951     -2.659617      3.120085
  H      -6.841877     -4.911929      5.093926
  H      -6.280549     -3.800670      2.428241
  H      -8.027536     -3.853161      2.685545
  H      -5.761193     -1.562294      5.518784
  H      -8.211835     -6.467341      5.953383
  H     -10.141578     -8.023622      5.715763
  H     -11.057537     -8.545849      3.437088
  H      -8.142224     -5.939015      1.662494
  H      -2.751991     -2.748577      6.679171
  H      -1.933459     -5.930325      7.622920
  H      -2.206631     -4.284172      8.240927
  H      -4.190545     -3.252186      8.144381
  H       0.411251     -4.290665      4.246929
  H       2.842664     -3.892607      4.540028
  H       3.813269     -3.718374      6.853203
  H      -0.092191     -4.264631      8.546345
  N      -2.146098     -3.018617      5.898295
  N      -1.225452     -1.921396      5.710926
  H      -0.897381     -1.501321      6.596410
  H      -0.383574     -2.282255      5.225433
  H      -1.714388     -1.198556      5.114408
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099444810255
  N      -3.382485     -4.128301      2.654699
  C      -3.353604     -5.088916      1.575234
  C      -2.485867     -6.234550      2.071376
  N      -3.125931     -6.753402      3.317917
  C      -4.257242     -7.661776      2.930563
  C      -5.537802     -7.230340      3.608502
  N      -5.551124     -5.784598      3.647911
  Mo     -3.885556     -4.895292      4.481508
  N      -1.893031     -5.170937      4.972124
  C      -1.202052     -6.448364      4.810309
  C      -2.140101     -7.462865      4.172687
  H      -0.847614     -6.852342      5.775331
  H      -0.299781     -6.320016      4.185619
  H      -2.709493     -7.989391      4.945912
  H      -1.587459     -8.203644      3.570848
  H      -6.393769     -7.625272      3.041373
  H      -5.620453     -7.665742      4.626943
  H      -4.384960     -7.599187      1.843107
  H      -3.991010     -8.699033      3.176230
  H      -2.946147     -4.679612      0.643153
  H      -4.380305     -5.453711      1.380049
  H      -1.489592     -5.847490      2.319423
  H      -2.382276     -7.054917      1.343318
  C      -2.839631     -2.800620      2.446807
  C      -3.989341     -1.790705      2.017725
  C      -3.552701     -0.373738      2.044577
  S      -3.083567      0.549744      0.774332
  C      -3.336174      0.345295      3.333067
  O      -2.746051     -0.129817      4.306788
  C      -1.654917     -2.731869      1.493088
  C      -1.789235     -2.686823      0.097522
  C      -0.662130     -2.657039     -0.726281
  C       0.625545     -2.662437     -0.184557
  C       0.741942     -2.686024      1.198217
  F       1.978520     -2.673580      1.765414
  C      -0.366138     -2.715387      2.035240
  C      -6.860623     -5.154935      4.017717
  C      -7.070231     -3.843343      3.205853
  C      -6.995371     -2.587147      4.035095
  S      -8.143799     -1.366850      3.976789
  C      -5.869984     -2.435123      4.863889
  O      -4.903364     -3.305097      4.890071
  C      -8.034685     -6.100176      3.846828
  C      -8.595854     -6.707489      4.976136
  C      -9.672594     -7.588598      4.848043
  C     -10.201908     -7.884718      3.591460
  C      -9.628539     -7.272419      2.480953
  F     -10.130680     -7.547512      1.248831
  C      -8.563476     -6.387772      2.579976
  C      -1.536819     -4.390918      6.152559
  C      -2.336309     -4.928766      7.362339
  C      -3.787271     -5.013006      6.951029
  S      -4.394203     -6.483224      6.289889
  C      -4.719864     -4.062913      7.556793
  O      -5.941837     -4.073403      7.482618
  C      -0.031897     -4.286740      6.369875
  C       0.830352     -4.197692      5.262428
  C       2.202092     -3.997071      5.436212
  C       2.744212     -3.889218      6.716415
  C       1.878975     -3.988705      7.801522
  F       2.383842     -3.892787      9.050458
  C       0.507241     -4.178853      7.658722
  H      -2.500456     -2.448324      3.426891
  H      -4.801318     -1.930045      2.741757
  H      -4.356114     -2.052975      1.017690
  H      -3.662199      1.405607      3.337554
  H      -2.777859     -2.656501     -0.360293
  H      -0.785763     -2.620719     -1.809279
  H       1.516372     -2.634900     -0.811837
  H      -0.218603     -2.718573      3.111739
  H      -6.836899     -4.909613      5.094778
  H      -6.292392     -3.799031      2.425394
  H      -8.037703     -3.855130      2.692743
  H      -5.759215     -1.557807      5.511070
  H      -8.186639     -6.479866      5.962133
  H     -10.109133     -8.047005      5.736432
  H     -11.043745     -8.565344      3.464461
  H      -8.159884     -5.935732      1.672654
  H      -2.738437     -2.736361      6.676749
  H      -1.946213     -5.920231      7.631314
  H      -2.220275     -4.270370      8.238478
  H      -4.203972     -3.239954      8.130698
  H       0.422888     -4.320317      4.259391
  H       2.853814     -3.931843      4.563999
  H       3.811032     -3.739390      6.881885
  H      -0.108059     -4.247719      8.554823
  N      -2.145053     -3.016817      5.890883
  N      -1.218940     -1.924585      5.685578
  H      -0.884132     -1.499088      6.565687
  H      -0.382637     -2.293722      5.197412
  H      -1.710985     -1.204250      5.088462
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099544857101
  N      -3.374031     -4.121442      2.652918
  C      -3.336282     -5.081728      1.572978
  C      -2.472036     -6.227553      2.075166
  N      -3.124033     -6.747485      3.314934
  C      -4.255683     -7.649714      2.914239
  C      -5.534178     -7.225818      3.599276
  N      -5.550181     -5.780033      3.641362
  Mo     -3.884843     -4.890873      4.479864
  N      -1.891146     -5.173747      4.975761
  C      -1.213399     -6.460046      4.830241
  C      -2.149378     -7.465698      4.174695
  H      -0.884341     -6.867459      5.802910
  H      -0.297058     -6.343052      4.224245
  H      -2.728459     -7.997074      4.937464
  H      -1.593773     -8.204115      3.572768
  H      -6.391574     -7.621413      3.034727
  H      -5.611128     -7.665438      4.616372
  H      -4.385150     -7.568606      1.828281
  H      -3.989680     -8.691133      3.142259
  H      -2.920906     -4.670512      0.644988
  H      -4.360764     -5.446535      1.367279
  H      -1.478290     -5.840058      2.332914
  H      -2.361362     -7.047523      1.347603
  C      -2.839396     -2.791525      2.440669
  C      -3.995085     -1.792017      2.007674
  C      -3.573508     -0.371123      2.043569
  S      -3.119192      0.571957      0.783005
  C      -3.356683      0.343246      3.335600
  O      -2.736636     -0.120553      4.296185
  C      -1.653574     -2.720520      1.487753
  C      -1.788391     -2.642495      0.093795
  C      -0.661779     -2.612786     -0.730736
  C       0.625673     -2.653979     -0.191158
  C       0.743173     -2.714471      1.190463
  F       1.980586     -2.743360      1.755423
  C      -0.363720     -2.743010      2.028588
  C      -6.860157     -5.153340      4.017201
  C      -7.077938     -3.844399      3.203506
  C      -6.998030     -2.584541      4.027149
  S      -8.144829     -1.362785      3.966701
  C      -5.869881     -2.429302      4.851583
  O      -4.903880     -3.299852      4.877655
  C      -8.031467     -6.103516      3.854978
  C      -8.577944     -6.717757      4.987910
  C      -9.650358     -7.605077      4.867522
  C     -10.190346     -7.900497      3.615220
  C      -9.631744     -7.281211      2.501176
  F     -10.144418     -7.555083      1.273125
  C      -8.570912     -6.390533      2.592590
  C      -1.537478     -4.392510      6.155461
  C      -2.345495     -4.920433      7.363593
  C      -3.794050     -5.001666      6.943606
  S      -4.402507     -6.473217      6.286386
  C      -4.728239     -4.047345      7.541442
  O      -5.949759     -4.057754      7.462105
  C      -0.033101     -4.293585      6.379447
  C       0.834672     -4.217605      5.275595
  C       2.206500     -4.021717      5.453775
  C       2.743434     -3.906018      6.735454
  C       1.872646     -3.992765      7.817364
  F       2.372535     -3.889770      9.067826
  C       0.500708     -4.177415      7.669884
  H      -2.503200     -2.432988      3.419534
  H      -4.809530     -1.940615      2.727269
  H      -4.356078     -2.054376      1.005516
  H      -3.711013      1.394191      3.353700
  H      -2.777200     -2.588217     -0.361050
  H      -0.785447     -2.549584     -1.812493
  H       1.516769     -2.627391     -0.818135
  H      -0.213546     -2.776098      3.103839
  H      -6.831868     -4.905159      5.093355
  H      -6.307406     -3.801111      2.415670
  H      -8.049800     -3.858294      2.698693
  H      -5.756139     -1.549277      5.494552
  H      -8.160833     -6.490176      5.970608
  H     -10.075428     -8.069007      5.758608
  H     -11.029382     -8.585689      3.494377
  H      -8.178749     -5.934013      1.682518
  H      -2.710929     -2.721121      6.685024
  H      -1.961027     -5.911951      7.640679
  H      -2.232663     -4.258537      8.237494
  H      -4.214436     -3.222664      8.114254
  H       0.431518     -4.347105      4.271606
  H       2.861879     -3.966121      4.583569
  H       3.810122     -3.759776      6.904889
  H      -0.118977     -4.235779      8.563730
  N      -2.139155     -3.017874      5.886765
  N      -1.203640     -1.936197      5.654224
  H      -0.861679     -1.500176      6.526071
  H      -0.373181     -2.317124      5.165591
  H      -1.697385     -1.218169      5.055033
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099630724037
  N      -3.370109     -4.120318      2.654361
  C      -3.330234     -5.079822      1.573356
  C      -2.467966     -6.226724      2.076630
  N      -3.122450     -6.745942      3.314959
  C      -4.254394     -7.646748      2.912467
  C      -5.531561     -7.224919      3.600784
  N      -5.548328     -5.779149      3.643264
  Mo     -3.882447     -4.889427      4.481947
  N      -1.886951     -5.174206      4.978303
  C      -1.215118     -6.464064      4.837880
  C      -2.151115     -7.466218      4.176764
  H      -0.895199     -6.873769      5.812727
  H      -0.294189     -6.352082      4.237972
  H      -2.733381     -7.998408      4.936551
  H      -1.594690     -8.204577      3.575474
  H      -6.389908     -7.620823      3.038030
  H      -5.605562     -7.665509      4.617680
  H      -4.385725     -7.560798      1.827107
  H      -3.987758     -8.689044      3.135694
  H      -2.911882     -4.667202      0.647151
  H      -4.354104     -5.444005      1.364059
  H      -1.473711     -5.841148      2.335441
  H      -2.357798     -7.046607      1.348864
  C      -2.837879     -2.790816      2.438394
  C      -3.997260     -1.794112      2.012320
  C      -3.586723     -0.370679      2.058030
  S      -3.144942      0.589258      0.805702
  C      -3.372596      0.339837      3.352991
  O      -2.735687     -0.116564      4.306236
  C      -1.656463     -2.718719      1.478658
  C      -1.793745     -2.609856      0.087295
  C      -0.668440     -2.582323     -0.739762
  C       0.619875     -2.658559     -0.205787
  C       0.740228     -2.752853      1.174022
  F       1.977731     -2.819656      1.735154
  C      -0.365451     -2.778682      2.013098
  C      -6.859017     -5.152914      4.018685
  C      -7.077881     -3.844141      3.204438
  C      -6.998964     -2.583523      4.027101
  S      -8.148162     -1.364235      3.968926
  C      -5.869442     -2.427302      4.849623
  O      -4.903958     -3.298071      4.871809
  C      -8.029587     -6.103798      3.855318
  C      -8.576897     -6.718885      4.987400
  C      -9.647957     -7.607605      4.865300
  C     -10.185897     -7.903600      3.612247
  C      -9.626726     -7.283207      2.499107
  F     -10.137203     -7.557558      1.270237
  C      -8.567217     -6.391125      2.592202
  C      -1.534072     -4.391139      6.155868
  C      -2.346243     -4.911450      7.364398
  C      -3.793483     -4.994720      6.940618
  S      -4.400165     -6.469834      6.289559
  C      -4.730088     -4.040628      7.536203
  O      -5.951564     -4.055203      7.458011
  C      -0.030375     -4.292859      6.385151
  C       0.842830     -4.226755      5.285393
  C       2.214184     -4.031806      5.468791
  C       2.745237     -3.907126      6.752072
  C       1.868875     -3.984178      7.830196
  F       2.362611     -3.872366      9.082411
  C       0.497424     -4.167785      7.677194
  H      -2.495054     -2.432738      3.415081
  H      -4.811670     -1.951006      2.730376
  H      -4.357503     -2.052372      1.008807
  H      -3.744870      1.384276      3.379608
  H      -2.782119     -2.530226     -0.364576
  H      -0.794017     -2.493855     -1.819536
  H       1.509629     -2.634185     -0.834771
  H      -0.218618     -2.844138      3.087981
  H      -6.831334     -4.904581      5.094820
  H      -6.307772     -3.801250      2.416143
  H      -8.050006     -3.859012      2.700138
  H      -5.754806     -1.547673      5.493008
  H      -8.161490     -6.491016      5.970738
  H     -10.073560     -8.072459      5.755659
  H     -11.023748     -8.590026      3.490207
  H      -8.174165     -5.934284      1.682677
  H      -2.693875     -2.710749      6.685004
  H      -1.963513     -5.901716      7.648551
  H      -2.235650     -4.245593      8.235580
  H      -4.218804     -3.211961      8.105112
  H       0.445788     -4.363739      4.280044
  H       2.873738     -3.984060      4.601306
  H       3.811305     -3.761273      6.925640
  H      -0.126468     -4.217860      8.568648
  N      -2.135384     -3.015371      5.883033
  N      -1.197255     -1.939272      5.630979
  H      -0.844254     -1.499092      6.496404
  H      -0.374850     -2.324594      5.133464
  H      -1.696656     -1.220907      5.035618
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099711941144
  N      -3.366877     -4.115993      2.656119
  C      -3.319202     -5.073910      1.573210
  C      -2.459722     -6.221819      2.079473
  N      -3.120804     -6.741727      3.313206
  C      -4.252880     -7.639044      2.905065
  C      -5.527706     -7.221339      3.599384
  N      -5.546192     -5.775514      3.643495
  Mo     -3.880253     -4.885641      4.482732
  N      -1.882999     -5.174183      4.980054
  C      -1.220808     -6.470505      4.850258
  C      -2.156113     -7.466615      4.178560
  H      -0.919760     -6.882781      5.830276
  H      -0.290382     -6.367999      4.263809
  H      -2.743629     -8.001402      4.932313
  H      -1.597471     -8.203884      3.577798
  H      -6.387681     -7.617826      3.039767
  H      -5.596232     -7.663958      4.615813
  H      -4.386700     -7.543227      1.820824
  H      -3.985479     -8.683149      3.118694
  H      -2.895372     -4.657859      0.650682
  H      -4.341341     -5.438593      1.356416
  H      -1.466109     -5.838217      2.343697
  H      -2.346941     -7.040925      1.351162
  C      -2.840096     -2.784805      2.436902
  C      -4.001387     -1.791526      2.012214
  C      -3.602049     -0.365871      2.069697
  S      -3.177354      0.613592      0.826273
  C      -3.388543      0.339083      3.367803
  O      -2.727406     -0.107929      4.309369
  C      -1.661553     -2.713067      1.474016
  C      -1.798830     -2.569311      0.086221
  C      -0.674308     -2.545553     -0.742404
  C       0.613273     -2.662254     -0.214419
  C       0.734215     -2.794279      1.162713
  F       1.970243     -2.903780      1.719783
  C      -0.370788     -2.816467      2.002301
  C      -6.858251     -5.151869      4.019748
  C      -7.082927     -3.844651      3.204503
  C      -7.001559     -2.581578      4.023048
  S      -8.148865     -1.360678      3.960381
  C      -5.871058     -2.423926      4.843867
  O      -4.905624     -3.294599      4.864647
  C      -8.026271     -6.106111      3.857690
  C      -8.570684     -6.722997      4.990145
  C      -9.638624     -7.615588      4.868777
  C     -10.176340     -7.913823      3.616179
  C      -9.620250     -7.291374      2.502620
  F     -10.130335     -7.567826      1.274053
  C      -8.564036     -6.395365      2.594991
  C      -1.530884     -4.389496      6.155585
  C      -2.349700     -4.899709      7.364357
  C      -3.795666     -4.985024      6.936362
  S      -4.398225     -6.464471      6.290909
  C      -4.735023     -4.034042      7.533501
  O      -5.956632     -4.055197      7.459810
  C      -0.027880     -4.294796      6.392062
  C       0.851539     -4.245743      5.296733
  C       2.222766     -4.054566      5.485354
  C       2.747185     -3.916425      6.769964
  C       1.864421     -3.976470      7.844010
  F       2.351573     -3.851398      9.097565
  C       0.493106     -4.156334      7.685373
  H      -2.492835     -2.424770      3.411093
  H      -4.819233     -1.955843      2.724573
  H      -4.356301     -2.045405      1.005698
  H      -3.785148      1.373975      3.407250
  H      -2.784894     -2.458293     -0.363672
  H      -0.800534     -2.428498     -1.819384
  H       1.501918     -2.641754     -0.845083
  H      -0.224509     -2.914406      3.074817
  H      -6.829795     -4.902802      5.095678
  H      -6.318613     -3.803149      2.410427
  H      -8.058414     -3.862055      2.706708
  H      -5.755958     -1.543468      5.486097
  H      -8.155340     -6.493842      5.973200
  H     -10.061885     -8.082045      5.759420
  H     -11.011590     -8.603533      3.494888
  H      -8.173128     -5.937313      1.685157
  H      -2.667027     -2.694523      6.686712
  H      -1.970062     -5.888522      7.657727
  H      -2.240560     -4.229360      8.232354
  H      -4.226905     -3.200674      8.097851
  H       0.460854     -4.394204      4.290523
  H       2.887459     -4.020787      4.621129
  H       3.812897     -3.772965      6.947655
  H      -0.135769     -4.192231      8.574028
  N      -2.128216     -3.013860      5.877300
  N      -1.187078     -1.949230      5.593760
  H      -0.821525     -1.497065      6.447880
  H      -0.371835     -2.345030      5.093584
  H      -1.689145     -1.233794      4.994938
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099779595910
  N      -3.369289     -4.114744      2.656784
  C      -3.317777     -5.072561      1.573565
  C      -2.457057     -6.218724      2.080866
  N      -3.119027     -6.739913      3.313083
  C      -4.250584     -7.637220      2.904616
  C      -5.525175     -7.219690      3.599616
  N      -5.544391     -5.773849      3.643636
  Mo     -3.878635     -4.883419      4.483452
  N      -1.877816     -5.170946      4.977115
  C      -1.221665     -6.471824      4.856050
  C      -2.155259     -7.465681      4.178464
  H      -0.933617     -6.883506      5.840349
  H      -0.284660     -6.376150      4.279476
  H      -2.743184     -8.004358      4.928973
  H      -1.594436     -8.200356      3.576416
  H      -6.385328     -7.616701      3.040755
  H      -5.592549     -7.662199      4.616258
  H      -4.384271     -7.541872      1.820288
  H      -3.982790     -8.681123      3.118698
  H      -2.894518     -4.654609      0.651542
  H      -4.339035     -5.439596      1.356286
  H      -1.464206     -5.834400      2.347040
  H      -2.342169     -7.037166      1.352036
  C      -2.844317     -2.783276      2.435969
  C      -4.006193     -1.789823      2.014095
  C      -3.610112     -0.363919      2.077257
  S      -3.181789      0.621557      0.839549
  C      -3.399354      0.338487      3.376577
  O      -2.722166     -0.101554      4.310422
  C      -1.668001     -2.713274      1.470391
  C      -1.803245     -2.540086      0.086160
  C      -0.678264     -2.519686     -0.742273
  C       0.607513     -2.669016     -0.218137
  C       0.726632     -2.833329      1.156044
  F       1.960123     -2.977219      1.710230
  C      -0.379009     -2.854376      1.994469
  C      -6.857285     -5.152827      4.021461
  C      -7.085210     -3.843633      3.209886
  C      -7.006054     -2.582544      4.031674
  S      -8.155805     -1.363823      3.973075
  C      -5.874268     -2.424975      4.850776
  O      -4.906995     -3.293388      4.865078
  C      -8.024560     -6.107471      3.856093
  C      -8.572968     -6.723761      4.986797
  C      -9.641261     -7.615608      4.862192
  C     -10.175111     -7.913818      3.608006
  C      -9.614940     -7.291982      2.496058
  F     -10.121196     -7.568518      1.265919
  C      -8.558611     -6.396597      2.591658
  C      -1.526125     -4.387144      6.153353
  C      -2.346031     -4.896679      7.361989
  C      -3.791859     -4.982343      6.933824
  S      -4.392803     -6.463481      6.290544
  C      -4.731075     -4.031412      7.531550
  O      -5.952802     -4.055031      7.461554
  C      -0.023491     -4.292261      6.394977
  C       0.861941     -4.257600      5.303957
  C       2.232365     -4.065370      5.497526
  C       2.750025     -3.911589      6.783081
  C       1.861625     -3.957287      7.853041
  F       2.342307     -3.817262      9.107552
  C       0.491070     -4.138218      7.689270
  H      -2.491926     -2.423280      3.408378
  H      -4.825241     -1.957338      2.724010
  H      -4.359073     -2.040313      1.006103
  H      -3.813337      1.366036      3.424545
  H      -2.786308     -2.403890     -0.363095
  H      -0.803328     -2.379311     -1.816604
  H       1.495666     -2.651197     -0.849549
  H      -0.240787     -2.985972      3.064938
  H      -6.828867     -4.907099      5.098178
  H      -6.322075     -3.799041      2.414838
  H      -8.061255     -3.862453      2.713246
  H      -5.759705     -1.546444      5.495804
  H      -8.160514     -6.494988      5.971159
  H     -10.067734     -8.081484      5.751607
  H     -11.010335     -8.603114      3.484238
  H      -8.164708     -5.938421      1.683159
  H      -2.648246     -2.685636      6.690115
  H      -1.966718     -5.885008      7.657425
  H      -2.236749     -4.226138      8.229744
  H      -4.223412     -3.196297      8.093426
  H       0.477445     -4.418391      4.297361
  H       2.902141     -4.043481      4.636908
  H       3.814984     -3.767046      6.964439
  H      -0.142013     -4.162812      8.575288
  N      -2.123078     -3.012764      5.875443
  N      -1.183273     -1.955173      5.567895
  H      -0.802007     -1.498966      6.413066
  H      -0.378688     -2.357037      5.056154
  H      -1.692767     -1.239972      4.972597
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099871535626
  N      -3.376098     -4.117301      2.659316
  C      -3.325077     -5.075036      1.575667
  C      -2.459720     -6.218526      2.080369
  N      -3.115034     -6.740175      3.315642
  C      -4.246632     -7.640435      2.914972
  C      -5.521222     -7.218912      3.608281
  N      -5.540030     -5.773027      3.650463
  Mo     -3.873556     -4.882160      4.486043
  N      -1.866902     -5.163172      4.971082
  C      -1.212081     -6.465904      4.852933
  C      -2.145660     -7.461959      4.177866
  H      -0.926608     -6.874996      5.839103
  H      -0.273761     -6.374471      4.278222
  H      -2.728550     -8.002869      4.930468
  H      -1.584219     -8.194755      3.573920
  H      -6.381356     -7.616763      3.050235
  H      -5.588619     -7.658329      4.626359
  H      -4.380641     -7.554720      1.829817
  H      -3.978294     -8.682278      3.137989
  H      -2.908031     -4.654632      0.651882
  H      -4.346350     -5.445934      1.364227
  H      -1.465980     -5.833420      2.342082
  H      -2.347212     -7.036766      1.350870
  C      -2.856354     -2.784011      2.435778
  C      -4.019312     -1.789573      2.020118
  C      -3.626348     -0.363660      2.099106
  S      -3.194695      0.637138      0.874572
  C      -3.428586      0.330294      3.404014
  O      -2.738770     -0.105255      4.331407
  C      -1.683188     -2.719023      1.466887
  C      -1.817435     -2.518267      0.086747
  C      -0.693426     -2.507070     -0.743461
  C       0.590122     -2.692110     -0.225866
  C       0.708461     -2.886959      1.144723
  F       1.939445     -3.065368      1.693725
  C      -0.396405     -2.903273      1.984033
  C      -6.854367     -5.152790      4.022851
  C      -7.080925     -3.840885      3.214500
  C      -7.005245     -2.582385      4.040236
  S      -8.156767     -1.365114      3.983630
  C      -5.874640     -2.427206      4.861150
  O      -4.905581     -3.293393      4.869185
  C      -8.022037     -6.105177      3.846936
  C      -8.585358     -6.716931      4.972451
  C      -9.656620     -7.604004      4.837810
  C     -10.178120     -7.901982      3.578526
  C      -9.602888     -7.284732      2.471555
  F     -10.096920     -7.561521      1.236498
  C      -8.543860     -6.393956      2.577097
  C      -1.514652     -4.379952      6.148447
  C      -2.334556     -4.889774      7.357423
  C      -3.780958     -4.979344      6.932377
  S      -4.376458     -6.465432      6.294498
  C      -4.720346     -4.031615      7.534943
  O      -5.942333     -4.060862      7.473315
  C      -0.012364     -4.284549      6.397919
  C       0.882895     -4.264254      5.314454
  C       2.251876     -4.071736      5.517496
  C       2.758748     -3.902060      6.805237
  C       1.861146     -3.932057      7.867866
  F       2.331056     -3.776663      9.124694
  C       0.491915     -4.113610      7.694390
  H      -2.497406     -2.424186      3.405671
  H      -4.840889     -1.964718      2.725173
  H      -4.368365     -2.030203      1.008524
  H      -3.866387      1.347037      3.464878
  H      -2.796696     -2.354331     -0.361068
  H      -0.818620     -2.344933     -1.814719
  H       1.476261     -2.680657     -0.860178
  H      -0.261868     -3.065493      3.050392
  H      -6.830950     -4.911215      5.100751
  H      -6.316538     -3.794236      2.420849
  H      -8.056079     -3.860349      2.716175
  H      -5.762218     -1.552140      5.511308
  H      -8.182129     -6.489069      5.960832
  H     -10.094854     -8.066178      5.723420
  H     -11.014980     -8.587823      3.446918
  H      -8.138474     -5.937985      1.672514
  H      -2.622360     -2.671765      6.694344
  H      -1.952950     -5.876500      7.654902
  H      -2.224655     -4.218496      8.224440
  H      -4.213027     -3.192763      8.091278
  H       0.509164     -4.436218      4.305970
  H       2.929734     -4.062654      4.663002
  H       3.822475     -3.757064      6.993401
  H      -0.147865     -4.126677      8.575769
  N      -2.110121     -3.008963      5.872985
  N      -1.174580     -1.959847      5.537378
  H      -0.768851     -1.503220      6.371048
  H      -0.385374     -2.368887      5.008336
  H      -1.692565     -1.242588      4.948455
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099988384623
  N      -3.383027     -4.116022      2.657872
  C      -3.335529     -5.072565      1.573517
  C      -2.464892     -6.213395      2.073813
  N      -3.112080     -6.736468      3.312958
  C      -4.243806     -7.639758      2.918951
  C      -5.518644     -7.216332      3.611472
  N      -5.538847     -5.770432      3.653919
  Mo     -3.871123     -4.879125      4.484706
  N      -1.859158     -5.153926      4.962326
  C      -1.201806     -6.455308      4.840916
  C      -2.135043     -7.454524      4.169350
  H      -0.911120     -6.862883      5.826091
  H      -0.265789     -6.362570      4.262697
  H      -2.711552     -7.998491      4.924635
  H      -1.573951     -8.184394      3.561601
  H      -6.378516     -7.615215      3.053804
  H      -5.585570     -7.654084      4.630368
  H      -4.378541     -7.562056      1.833239
  H      -3.974803     -8.679888      3.148944
  H      -2.925278     -4.649608      0.647798
  H      -4.357260     -5.446243      1.368454
  H      -1.470512     -5.826524      2.330547
  H      -2.354851     -7.031145      1.343394
  C      -2.866117     -2.782006      2.433588
  C      -4.027403     -1.786461      2.017569
  C      -3.632279     -0.361256      2.105340
  S      -3.189809      0.645678      0.890012
  C      -3.445915      0.327274      3.414395
  O      -2.750703     -0.105576      4.339392
  C      -1.690730     -2.724810      1.466494
  C      -1.817140     -2.498621      0.089934
  C      -0.690250     -2.500137     -0.736859
  C       0.587140     -2.723036     -0.218963
  C       0.697028     -2.945394      1.148234
  F       1.922014     -3.162219      1.696843
  C      -0.410530     -2.952178      1.983706
  C      -6.853915     -5.153544      4.026603
  C      -7.082795     -3.837977      3.224262
  C      -7.010304     -2.583684      4.056673
  S      -8.167393     -1.371170      4.011028
  C      -5.877883     -2.429792      4.875301
  O      -4.906139     -3.292815      4.873551
  C      -8.021072     -6.105518      3.844294
  C      -8.591232     -6.716876      4.966371
  C      -9.664058     -7.601310      4.825781
  C     -10.179848     -7.897064      3.563714
  C      -9.597369     -7.280602      2.459999
  F     -10.085811     -7.555670      1.222329
  C      -8.536969     -6.392370      2.571472
  C      -1.507809     -4.374021      6.143674
  C      -2.326833     -4.888806      7.351358
  C      -3.773526     -4.980856      6.928512
  S      -4.364193     -6.469311      6.291288
  C      -4.713767     -4.035360      7.533346
  O      -5.935695     -4.067546      7.474076
  C      -0.005687     -4.276760      6.398660
  C       0.897695     -4.266732      5.321680
  C       2.265079     -4.071940      5.532081
  C       2.763529     -3.889178      6.821200
  C       1.858676     -3.908253      7.877767
  F       2.319796     -3.740095      9.136330
  C       0.490812     -4.091892      7.696731
  H      -2.507270     -2.421663      3.403321
  H      -4.851211     -1.964056      2.719260
  H      -4.373706     -2.021368      1.003703
  H      -3.898798      1.336797      3.482925
  H      -2.790989     -2.306937     -0.358415
  H      -0.808827     -2.318060     -1.805678
  H       1.474676     -2.720965     -0.851397
  H      -0.289412     -3.144947      3.046856
  H      -6.832061     -4.916962      5.105777
  H      -6.318019     -3.786190      2.431457
  H      -8.057583     -3.857908      2.725394
  H      -5.766042     -1.558815      5.531016
  H      -8.192088     -6.491128      5.956894
  H     -10.107765     -8.062950      5.708927
  H     -11.017664     -8.580805      3.427334
  H      -8.126176     -5.936049      1.669495
  H      -2.608646     -2.663513      6.697153
  H      -1.941916     -5.874706      7.646799
  H      -2.217963     -4.218746      8.219320
  H      -4.206823     -3.196376      8.089685
  H       0.532928     -4.447619      4.311681
  H       2.948770     -4.071323      4.682177
  H       3.826047     -3.742363      7.014721
  H      -0.154045     -4.096841      8.574398
  N      -2.104675     -3.004082      5.872434
  N      -1.172318     -1.959701      5.518816
  H      -0.744483     -1.507569      6.343860
  H      -0.399180     -2.374742      4.971625
  H      -1.698304     -1.239352      4.939147
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.100171949413
  N      -3.392186     -4.113291      2.653707
  C      -3.354505     -5.067902      1.568298
  C      -2.475883     -6.206378      2.060189
  N      -3.108492     -6.730099      3.307854
  C      -4.241216     -7.638069      2.924913
  C      -5.516842     -7.211703      3.615187
  N      -5.539019     -5.765856      3.659123
  Mo     -3.868201     -4.874118      4.479398
  N      -1.849852     -5.139433      4.949043
  C      -1.182984     -6.434268      4.813254
  C      -2.117478     -7.441172      4.153684
  H      -0.869689     -6.839620      5.792051
  H      -0.258201     -6.332559      4.218262
  H      -2.682418     -7.986831      4.916670
  H      -1.559680     -8.168326      3.540009
  H      -6.375847     -7.611714      3.056915
  H      -5.584394     -7.647307      4.634949
  H      -4.376892     -7.573237      1.838445
  H      -3.972122     -8.675677      3.165886
  H      -2.955194     -4.641902      0.639044
  H      -4.377733     -5.443834      1.374008
  H      -1.480051     -5.816999      2.306740
  H      -2.371799     -7.024521      1.329473
  C      -2.880787     -2.776248      2.429416
  C      -4.039452     -1.783475      2.005342
  C      -3.641137     -0.358219      2.101611
  S      -3.189130      0.654575      0.896156
  C      -3.468857      0.322464      3.417302
  O      -2.771653     -0.109750      4.341030
  C      -1.697749     -2.731158      1.471095
  C      -1.811656     -2.480813      0.097895
  C      -0.680622     -2.503560     -0.723536
  C       0.586081     -2.772248     -0.201858
  C       0.681991     -3.017925      1.162071
  F       1.898145     -3.279423      1.712241
  C      -0.428710     -3.005188      1.992885
  C      -6.854473     -5.152912      4.031446
  C      -7.086544     -3.833783      3.235267
  C      -7.014113     -2.583465      4.073881
  S      -8.176141     -1.374968      4.040770
  C      -5.879226     -2.430850      4.889334
  O      -4.904607     -3.290584      4.878217
  C      -8.020659     -6.105271      3.843265
  C      -8.596398     -6.716866      4.962186
  C      -9.670399     -7.599182      4.816259
  C     -10.181172     -7.892531      3.551670
  C      -9.592482     -7.276525      2.450945
  F     -10.076083     -7.549995      1.211010
  C      -8.531014     -6.390379      2.567744
  C      -1.500465     -4.366911      6.138958
  C      -2.317058     -4.892135      7.343401
  C      -3.763993     -4.986478      6.924022
  S      -4.347829     -6.476212      6.284242
  C      -4.706004     -4.043348      7.529710
  O      -5.927646     -4.076033      7.466796
  C       0.001572     -4.267457      6.399386
  C       0.914968     -4.260431      5.330763
  C       2.280140     -4.063787      5.551237
  C       2.769042     -3.874971      6.842989
  C       1.855309     -3.889519      7.891868
  F       2.305423     -3.714728      9.153760
  C       0.489355     -4.074933      7.700495
  H      -2.533241     -2.411643      3.401761
  H      -4.865845     -1.963099      2.703693
  H      -4.381996     -2.014068      0.989053
  H      -3.936326      1.324727      3.494657
  H      -2.778543     -2.256269     -0.350058
  H      -0.787880     -2.302940     -1.790248
  H       1.476544     -2.786652     -0.830043
  H      -0.313979     -3.225527      3.050920
  H      -6.834634     -4.920542      5.111796
  H      -6.323451     -3.777296      2.441359
  H      -8.062102     -3.853248      2.738126
  H      -5.767352     -1.564124      5.550552
  H      -8.200688     -6.493138      5.954542
  H     -10.118575     -8.060727      5.697170
  H     -11.019834     -8.574329      3.410743
  H      -8.115310     -5.933845      1.668136
  H      -2.597645     -2.656191      6.702286
  H      -1.926356     -5.877666      7.631523
  H      -2.210417     -4.225092      8.213853
  H      -4.199063     -3.207682      8.090949
  H       0.561875     -4.443477      4.317153
  H       2.969778     -4.065691      4.706131
  H       3.829962     -3.726772      7.043971
  H      -0.161570     -4.076469      8.573614
  N      -2.099564     -2.997620      5.874975
  N      -1.168661     -1.956537      5.510595
  H      -0.712028     -1.515245      6.325977
  H      -0.414773     -2.376729      4.941005
  H      -1.700261     -1.229849      4.945257
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.100390964872
  N      -3.393792     -4.111428      2.649318
  C      -3.359716     -5.063908      1.562496
  C      -2.478863     -6.201980      2.051118
  N      -3.105658     -6.724680      3.302977
  C      -4.239353     -7.633972      2.924535
  C      -5.514645     -7.207622      3.615522
  N      -5.538310     -5.761838      3.661407
  Mo     -3.864709     -4.869926      4.474669
  N      -1.841939     -5.131452      4.941390
  C      -1.172802     -6.424290      4.798439
  C      -2.109031     -7.433606      4.144015
  H      -0.848938     -6.829864      5.773487
  H      -0.253900     -6.319379      4.194709
  H      -2.669265     -7.979852      4.910169
  H      -1.553593     -8.159802      3.527241
  H      -6.373562     -7.608124      3.057498
  H      -5.581334     -7.643333      4.635284
  H      -4.376412     -7.572488      1.838073
  H      -3.970226     -8.671066      3.167855
  H      -2.963147     -4.635431      0.632804
  H      -4.383417     -5.439637      1.370301
  H      -1.482402     -5.811813      2.293227
  H      -2.377629     -7.021002      1.321110
  C      -2.889013     -2.772760      2.423922
  C      -4.050027     -1.785575      1.998827
  C      -3.659211     -0.358109      2.106615
  S      -3.216949      0.670484      0.912301
  C      -3.496345      0.313806      3.429132
  O      -2.789475     -0.113032      4.347757
  C      -1.701914     -2.732983      1.468941
  C      -1.804055     -2.450864      0.101299
  C      -0.669938     -2.486655     -0.716154
  C       0.586146     -2.801858     -0.194946
  C       0.668768     -3.081212      1.163375
  F       1.874740     -3.391824      1.711473
  C      -0.444337     -3.055728      1.990328
  C      -6.853909     -5.150805      4.034432
  C      -7.089079     -3.830741      3.240372
  C      -7.013763     -2.581009      4.079881
  S      -8.177265     -1.373662      4.052984
  C      -5.876689     -2.428796      4.892305
  O      -4.901241     -3.287470      4.875729
  C      -8.019380     -6.104043      3.845247
  C      -8.594526     -6.717689      4.963325
  C      -9.667962     -7.600542      4.816204
  C     -10.178684     -7.892188      3.551205
  C      -9.590622     -7.274091      2.451337
  F     -10.074261     -7.546064      1.211074
  C      -8.529693     -6.387448      2.569334
  C      -1.494377     -4.362746      6.135667
  C      -2.312514     -4.889367      7.337964
  C      -3.758795     -4.985915      6.918632
  S      -4.337590     -6.477460      6.279332
  C      -4.703272     -4.044458      7.523351
  O      -5.924684     -4.078743      7.457110
  C       0.007065     -4.262903      6.403244
  C       0.930427     -4.263570      5.343556
  C       2.293606     -4.065672      5.574249
  C       2.772225     -3.867370      6.868343
  C       1.849058     -3.873656      7.908981
  F       2.287713     -3.689265      9.173715
  C       0.484973     -4.060174      7.706939
  H      -2.548133     -2.405652      3.397787
  H      -4.876561     -1.972998      2.695294
  H      -4.391179     -2.011253      0.980932
  H      -3.982840      1.306102      3.517648
  H      -2.763783     -2.192658     -0.343374
  H      -0.766390     -2.260510     -1.778780
  H       1.478903     -2.827162     -0.819581
  H      -0.342362     -3.311688      3.042947
  H      -6.834184     -4.919246      5.115056
  H      -6.329591     -3.773416      2.443071
  H      -8.066639     -3.849739      2.747169
  H      -5.763407     -1.563752      5.555421
  H      -8.198676     -6.495264      5.955908
  H     -10.115523     -8.063851      5.696493
  H     -11.016960     -8.574238      3.409147
  H      -8.114215     -5.929505      1.670339
  H      -2.577969     -2.645870      6.707353
  H      -1.919587     -5.874242      7.624988
  H      -2.208534     -4.222092      8.208533
  H      -4.197742     -3.209236      8.086252
  H       0.589209     -4.453347      4.327378
  H       2.989549     -4.073598      4.734337
  H       3.831432     -3.718054      7.077227
  H      -0.172869     -4.054397      8.574820
  N      -2.094258     -2.992019      5.873694
  N      -1.161529     -1.957658      5.490175
  H      -0.679461     -1.521610      6.293781
  H      -0.427055     -2.385350      4.901680
  H      -1.698802     -1.226826      4.937101
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.100612089276
  N      -3.392881     -4.109431      2.643238
  C      -3.362617     -5.059183      1.554660
  C      -2.480807     -6.197686      2.040551
  N      -3.102836     -6.718398      3.296794
  C      -4.237865     -7.628275      2.921730
  C      -5.512677     -7.202803      3.613914
  N      -5.537904     -5.757112      3.662694
  Mo     -3.860899     -4.865185      4.467951
  N      -1.834447     -5.124188      4.934210
  C      -1.162635     -6.414399      4.781908
  C      -2.101310     -7.425940      4.133311
  H      -0.825350     -6.820930      5.751720
  H      -0.251533     -6.304782      4.166926
  H      -2.657417     -7.971957      4.902819
  H      -1.549053     -8.151791      3.513511
  H      -6.371472     -7.603492      3.055859
  H      -5.578579     -7.639499      4.633258
  H      -4.376386     -7.568192      1.835437
  H      -3.969109     -8.665440      3.165492
  H      -2.967003     -4.628284      0.625127
  H      -4.386902     -5.433259      1.362729
  H      -1.483833     -5.806871      2.278602
  H      -2.382303     -7.018161      1.311990
  C      -2.895943     -2.769028      2.417143
  C      -4.060923     -1.789821      1.991498
  C      -3.680695     -0.359058      2.110348
  S      -3.258081      0.687522      0.926435
  C      -3.525108      0.303321      3.440337
  O      -2.808661     -0.117982      4.353520
  C      -1.703835     -2.733525      1.466054
  C      -1.792357     -2.418834      0.104832
  C      -0.654939     -2.467552     -0.708283
  C       0.588441     -2.830733     -0.187823
  C       0.655412     -3.144521      1.163788
  F       1.848945     -3.506917      1.708884
  C      -0.459957     -3.105228      1.986866
  C      -6.853357     -5.147524      4.037008
  C      -7.092154     -3.827549      3.243706
  C      -7.011315     -2.577065      4.081977
  S      -8.174679     -1.369352      4.059843
  C      -5.871923     -2.425049      4.891115
  O      -4.896206     -3.283402      4.870771
  C      -8.018111     -6.102178      3.849415
  C      -8.588966     -6.719153      4.967914
  C      -9.661054     -7.603828      4.821970
  C     -10.174807     -7.893653      3.557748
  C      -9.591276     -7.271984      2.457555
  F     -10.078040     -7.542218      1.218117
  C      -8.531572     -6.383625      2.574397
  C      -1.489189     -4.359722      6.133232
  C      -2.309709     -4.886853      7.332905
  C      -3.754994     -4.985382      6.912859
  S      -4.328670     -6.477999      6.272951
  C      -4.702573     -4.045309      7.515078
  O      -5.923653     -4.080122      7.442393
  C       0.011522     -4.259764      6.408313
  C       0.945281     -4.266600      5.358389
  C       2.306206     -4.067140      5.600064
  C       2.774077     -3.860818      6.896759
  C       1.840937     -3.860617      7.928509
  F       2.267322     -3.667973      9.196398
  C       0.478997     -4.048422      7.714896
  H      -2.564704     -2.399234      3.393462
  H      -4.885738     -1.986471      2.687999
  H      -4.402856     -2.011406      0.972930
  H      -4.029721      1.285560      3.540491
  H      -2.744227     -2.126354     -0.334790
  H      -0.738565     -2.215131     -1.766054
  H       1.483867     -2.867464     -0.808155
  H      -0.370818     -3.398804      3.033041
  H      -6.832860     -4.915098      5.117514
  H      -6.338074     -3.770928      2.441166
  H      -8.072733     -3.845597      2.756438
  H      -5.756532     -1.560819      5.554840
  H      -8.190634     -6.497931      5.959761
  H     -10.104960     -8.070078      5.702548
  H     -11.012255     -8.576876      3.416356
  H      -8.119182     -5.923585      1.675055
  H      -2.558060     -2.636192      6.713572
  H      -1.914790     -5.871212      7.618695
  H      -2.209127     -4.218936      8.203391
  H      -4.198821     -3.211264      8.081017
  H       0.616906     -4.462404      4.339432
  H       3.008341     -4.079505      4.765332
  H       3.831312     -3.710165      7.114286
  H      -0.186252     -4.036108      8.577042
  N      -2.090290     -2.986266      5.872709
  N      -1.153761     -1.958741      5.470960
  H      -0.645485     -1.528446      6.261632
  H      -0.439859     -2.393971      4.863515
  H      -1.695347     -1.223440      4.931322
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099593945863
  N      -3.417973     -4.098334      2.655808
  C      -3.387863     -5.050314      1.563074
  C      -2.506728     -6.191232      2.041429
  N      -3.117491     -6.714869      3.295519
  C      -4.246703     -7.633776      2.938544
  C      -5.518994     -7.205729      3.636998
  N      -5.546295     -5.760773      3.677782
  Mo     -3.871026     -4.863063      4.479024
  N      -1.837901     -5.105491      4.933073
  C      -1.167855     -6.398642      4.774701
  C      -2.109725     -7.411662      4.136534
  H      -0.835323     -6.810047      5.745191
  H      -0.255798     -6.295694      4.161080
  H      -2.659799     -7.952290      4.912385
  H      -1.552547     -8.141999      3.524590
  H      -6.381278     -7.610219      3.087510
  H      -5.575875     -7.637004      4.659729
  H      -4.394315     -7.584729      1.852403
  H      -3.964827     -8.664682      3.191922
  H      -2.995600     -4.619450      0.634386
  H      -4.412582     -5.428761      1.376691
  H      -1.506391     -5.805256      2.270654
  H      -2.416556     -7.008197      1.307545
  C      -2.902605     -2.758769      2.424472
  C      -4.032802     -1.742782      1.983469
  C      -3.621806     -0.329668      2.119395
  S      -3.128300      0.714188      0.953109
  C      -3.455543      0.321139      3.447907
  O      -2.738643     -0.122842      4.352622
  C      -1.721878     -2.730457      1.474874
  C      -1.791824     -2.365507      0.127253
  C      -0.655144     -2.429407     -0.684036
  C       0.575866     -2.856051     -0.182918
  C       0.631686     -3.214098      1.160097
  F       1.808372     -3.625045      1.700420
  C      -0.486375     -3.161600      1.977082
  C      -6.864658     -5.156139      4.049401
  C      -7.112324     -3.838550      3.254393
  C      -7.039104     -2.584739      4.086891
  S      -8.206162     -1.381093      4.054213
  C      -5.896456     -2.425567      4.890625
  O      -4.921222     -3.283437      4.868729
  C      -8.019520     -6.119766      3.851596
  C      -8.596753     -6.742756      4.962802
  C      -9.658118     -7.638408      4.803877
  C     -10.153792     -7.934856      3.534234
  C      -9.563166     -7.307302      2.440729
  F     -10.030858     -7.583537      1.195349
  C      -8.515268     -6.407537      2.570376
  C      -1.490718     -4.342669      6.122778
  C      -2.309235     -4.872376      7.327347
  C      -3.756031     -4.975707      6.910585
  S      -4.324819     -6.477445      6.283788
  C      -4.700656     -4.044843      7.534383
  O      -5.922449     -4.096292      7.499285
  C       0.008385     -4.241567      6.403572
  C       0.941413     -4.253930      5.350511
  C       2.303548     -4.061428      5.593395
  C       2.769851     -3.852356      6.890627
  C       1.837196     -3.843792      7.922713
  F       2.264217     -3.647582      9.189698
  C       0.474149     -4.028371      7.709538
  H      -2.536560     -2.399271      3.391871
  H      -4.885946     -1.909440      2.649264
  H      -4.345404     -1.952959      0.952281
  H      -3.939133      1.313215      3.548852
  H      -2.720160     -2.014667     -0.322497
  H      -0.732156     -2.136718     -1.731998
  H       1.467466     -2.904849     -0.807253
  H      -0.414355     -3.464832      3.009414
  H      -6.844871     -4.927590      5.130729
  H      -6.361641     -3.784924      2.448886
  H      -8.094791     -3.866760      2.771496
  H      -5.783562     -1.557918      5.550896
  H      -8.212104     -6.519338      5.959543
  H     -10.107878     -8.109427      5.678966
  H     -10.981123     -8.628415      3.384230
  H      -8.096914     -5.942360      1.676407
  H      -2.531843     -2.602229      6.696796
  H      -1.918197     -5.857333      7.618692
  H      -2.201263     -4.210850      8.201443
  H      -4.199737     -3.204736      8.093172
  H       0.616598     -4.446021      4.329000
  H       3.008458     -4.082899      4.761040
  H       3.827834     -3.705227      7.107794
  H      -0.189927     -4.011965      8.572315
  N      -2.077198     -2.986869      5.866035
  N      -1.153625     -1.986953      5.435802
  H      -0.637276     -1.568342      6.227016
  H      -0.454921     -2.434972      4.819960
  H      -1.695432     -1.237974      4.895914
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.100814708941
  N      -3.397683     -4.098925      2.638798
  C      -3.362301     -5.046490      1.543521
  C      -2.491115     -6.193894      2.028009
  N      -3.114759     -6.712564      3.280506
  C      -4.248771     -7.622020      2.910580
  C      -5.518565     -7.200302      3.615109
  N      -5.545999     -5.755340      3.665224
  Mo     -3.864649     -4.861465      4.458696
  N      -1.834419     -5.118298      4.927764
  C      -1.169378     -6.412573      4.765921
  C      -2.116863     -7.419669      4.125137
  H      -0.830067     -6.827800      5.731956
  H      -0.262254     -6.308489      4.144520
  H      -2.675706     -7.955714      4.898406
  H      -1.565251     -8.154007      3.513524
  H      -6.381811     -7.601504      3.064632
  H      -5.573884     -7.639280      4.634384
  H      -4.397134     -7.554130      1.825779
  H      -3.972385     -8.658934      3.145923
  H      -2.955474     -4.613287      0.621056
  H      -4.386431     -5.416465      1.340337
  H      -1.491547     -5.810821      2.264712
  H      -2.398493     -7.013782      1.298011
  C      -2.899085     -2.753660      2.410786
  C      -4.046231     -1.764331      1.962640
  C      -3.670005     -0.338523      2.098188
  S      -3.245684      0.727508      0.928223
  C      -3.501737      0.306602      3.433059
  O      -2.777882     -0.129751      4.334065
  C      -1.705442     -2.713736      1.473695
  C      -1.760337     -2.320408      0.133013
  C      -0.616201     -2.375366     -0.669052
  C       0.603960     -2.825438     -0.162692
  C       0.640773     -3.215111      1.171675
  F       1.807090     -3.661464      1.708892
  C      -0.482612     -3.166638      1.982816
  C      -6.861118     -5.148686      4.047071
  C      -7.117008     -3.836915      3.246111
  C      -7.025045     -2.576483      4.067244
  S      -8.183478     -1.364177      4.033284
  C      -5.878754     -2.417541      4.865265
  O      -4.905794     -3.278918      4.847353
  C      -8.018053     -6.114871      3.873908
  C      -8.565529     -6.742791      4.997819
  C      -9.626054     -7.642981      4.862782
  C     -10.151655     -7.938206      3.604748
  C      -9.591578     -7.304918      2.498855
  F     -10.089468     -7.579092      1.264770
  C      -8.544089     -6.401040      2.604859
  C      -1.491767     -4.353566      6.119951
  C      -2.318271     -4.871456      7.322044
  C      -3.761942     -4.975741      6.899732
  S      -4.327576     -6.474496      6.268158
  C      -4.711791     -4.041802      7.510013
  O      -5.933385     -4.087580      7.453812
  C       0.005635     -4.254695      6.411427
  C       0.953053     -4.275695      5.372963
  C       2.312615     -4.084566      5.633253
  C       2.763206     -3.869122      6.934812
  C       1.815998     -3.852758      7.953274
  F       2.225412     -3.649890      9.225192
  C       0.456074     -4.035110      7.722154
  H      -2.562557     -2.386083      3.386009
  H      -4.892073     -1.949628      2.634484
  H      -4.363162     -1.982662      0.934574
  H      -3.996320      1.292945      3.541305
  H      -2.686431     -1.955374     -0.308885
  H      -0.677432     -2.059928     -1.711389
  H       1.503116     -2.870967     -0.776619
  H      -0.418819     -3.512403      3.007156
  H      -6.829723     -4.909751      5.125770
  H      -6.381277     -3.790669      2.426037
  H      -8.107847     -3.862403      2.780099
  H      -5.759100     -1.546078      5.519046
  H      -8.158230     -6.518464      5.985315
  H     -10.051913     -8.118325      5.747451
  H     -10.979896     -8.634398      3.472921
  H      -8.149551     -5.933277      1.701501
  H      -2.520382     -2.603038      6.687708
  H      -1.928268     -5.855445      7.617936
  H      -2.216483     -4.202978      8.191755
  H      -4.213717     -3.203853      8.074317
  H       0.643616     -4.474823      4.348482
  H       3.026742     -4.110948      4.809213
  H       3.818274     -3.722955      7.165930
  H      -0.219907     -4.009766      8.575502
  N      -2.078724     -2.991604      5.850517
  N      -1.144971     -1.995504      5.408285
  H      -0.606544     -1.575742      6.184414
  H      -0.457271     -2.446004      4.782325
  H      -1.689101     -1.248489      4.877993
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.101398325070
  N      -3.383147     -4.099589      2.624643
  C      -3.339464     -5.043856      1.527532
  C      -2.476437     -6.194650      2.019043
  N      -3.112804     -6.710179      3.267578
  C      -4.249205     -7.612268      2.884722
  C      -5.518333     -7.196019      3.592394
  N      -5.545628     -5.751138      3.650467
  Mo     -3.861118     -4.860653      4.442145
  N      -1.832371     -5.125822      4.922513
  C      -1.173120     -6.423056      4.761724
  C      -2.123508     -7.425031      4.116249
  H      -0.835507     -6.840967      5.726908
  H      -0.266093     -6.320287      4.139767
  H      -2.689264     -7.959707      4.885589
  H      -1.573775     -8.160794      3.504907
  H      -6.381740     -7.594065      3.039644
  H      -5.574297     -7.641989      4.608465
  H      -4.396283     -7.528498      1.800968
  H      -3.976549     -8.653566      3.105271
  H      -2.919999     -4.608866      0.610740
  H      -4.362284     -5.408223      1.309702
  H      -1.478657     -5.812641      2.264948
  H      -2.378359     -7.016312      1.291937
  C      -2.897708     -2.750895      2.399877
  C      -4.056772     -1.779975      1.945786
  C      -3.709579     -0.345870      2.088682
  S      -3.339481      0.742832      0.922626
  C      -3.540364      0.289142      3.430213
  O      -2.804505     -0.142117      4.323052
  C      -1.692046     -2.702873      1.475788
  C      -1.725936     -2.276462      0.144621
  C      -0.572718     -2.326522     -0.644983
  C       0.633603     -2.808048     -0.134627
  C       0.646978     -3.235460      1.188510
  F       1.797850     -3.725620      1.721968
  C      -0.484000     -3.189036      1.989686
  C      -6.857901     -5.143003      4.042612
  C      -7.120124     -3.835373      3.237737
  C      -7.015928     -2.570656      4.051241
  S      -8.168092     -1.352240      4.015932
  C      -5.866707     -2.411995      4.844669
  O      -4.895323     -3.275688      4.829004
  C      -8.016461     -6.110919      3.890829
  C      -8.537776     -6.742958      5.025162
  C      -9.598439     -7.645610      4.911199
  C     -10.151116     -7.938724      3.664178
  C      -9.617393     -7.301049      2.547993
  F     -10.142572     -7.572187      1.324598
  C      -8.569503     -6.395088      2.633127
  C      -1.493942     -4.361519      6.116584
  C      -2.327083     -4.873264      7.316221
  C      -3.768770     -4.976811      6.889293
  S      -4.334037     -6.471665      6.251938
  C      -4.720985     -4.040311      7.491102
  O      -5.942286     -4.080483      7.419793
  C       0.002627     -4.262182      6.415113
  C       0.957547     -4.292044      5.384772
  C       2.315101     -4.095876      5.653118
  C       2.756695     -3.868311      6.955574
  C       1.801961     -3.844004      7.966709
  F       2.201538     -3.628558      9.239774
  C       0.444199     -4.029851      7.727034
  H      -2.582890     -2.378771      3.380332
  H      -4.899693     -1.982399      2.617611
  H      -4.371397     -2.001732      0.917796
  H      -4.049944      1.266643      3.550527
  H      -2.644189     -1.889740     -0.294374
  H      -0.615144     -1.984472     -1.679822
  H       1.540077     -2.853512     -0.737820
  H      -0.444316     -3.579289      3.002790
  H      -6.815316     -4.896722      5.119115
  H      -6.394395     -3.793525      2.408162
  H      -8.116359     -3.859370      2.783046
  H      -5.741802     -1.537594      5.493419
  H      -8.110262     -6.518599      6.004090
  H     -10.003698     -8.124139      5.803807
  H     -10.980885     -8.636005      3.548702
  H      -8.196106     -5.924770      1.722181
  H      -2.505983     -2.602595      6.686914
  H      -1.938585     -5.856953      7.615039
  H      -2.229711     -4.202064      8.184245
  H      -4.225148     -3.204745      8.060483
  H       0.656364     -4.500079      4.359652
  H       3.034317     -4.126405      4.833746
  H       3.809755     -3.718174      7.193084
  H      -0.237852     -3.995887      8.575137
  N      -2.079981     -2.995992      5.842924
  N      -1.139666     -2.007812      5.384363
  H      -0.580055     -1.592099      6.147900
  H      -0.469742     -2.463860      4.744030
  H      -1.686652     -1.257670      4.866379
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.101819423619
  N      -3.377652     -4.098480      2.613596
  C      -3.330539     -5.039430      1.513899
  C      -2.473016     -6.193987      2.007081
  N      -3.113532     -6.706685      3.255595
  C      -4.251515     -7.605814      2.868618
  C      -5.520115     -7.193052      3.578680
  N      -5.547147     -5.748549      3.642521
  Mo     -3.859174     -4.859427      4.428548
  N      -1.828765     -5.125997      4.914036
  C      -1.171809     -6.423857      4.747385
  C      -2.126311     -7.424290      4.105012
  H      -0.826480     -6.844150      5.708495
  H      -0.270361     -6.319445      4.117487
  H      -2.693575     -7.956317      4.875170
  H      -1.579516     -8.162093      3.493607
  H      -6.383800     -7.588705      3.024423
  H      -5.576598     -7.643973      4.592455
  H      -4.399121     -7.514513      1.785615
  H      -3.979966     -8.649054      3.081708
  H      -2.903481     -4.602244      0.601038
  H      -4.352946     -5.398915      1.287138
  H      -1.475148     -5.813810      2.255008
  H      -2.374815     -7.017111      1.281833
  C      -2.900314     -2.746976      2.391403
  C      -4.064463     -1.790858      1.924159
  C      -3.744124     -0.350792      2.080455
  S      -3.412824      0.760413      0.925136
  C      -3.582669      0.272530      3.430295
  O      -2.835328     -0.151095      4.316472
  C      -1.681412     -2.695562      1.483506
  C      -1.689623     -2.231681      0.164743
  C      -0.527443     -2.282719     -0.611841
  C       0.661076     -2.804563     -0.100111
  C       0.647516     -3.270759      1.209970
  F       1.780022     -3.806667      1.739604
  C      -0.491124     -3.221740      2.000440
  C      -6.857011     -5.138509      4.041602
  C      -7.123861     -3.834693      3.232634
  C      -7.009093     -2.565678      4.038398
  S      -8.155227     -1.341535      3.999481
  C      -5.857235     -2.406621      4.827668
  O      -4.887573     -3.272481      4.814389
  C      -8.016061     -6.108251      3.905928
  C      -8.517560     -6.743427      5.047696
  C      -9.576849     -7.649284      4.949204
  C     -10.148543     -7.942176      3.710610
  C      -9.634821     -7.301101      2.587143
  F     -10.178946     -7.571460      1.371885
  C      -8.588066     -6.392258      2.656907
  C      -1.493351     -4.364219      6.110540
  C      -2.331025     -4.872107      7.308191
  C      -3.771334     -4.976723      6.878905
  S      -4.334136     -6.470169      6.239583
  C      -4.726159     -4.039773      7.475532
  O      -5.947221     -4.078455      7.395410
  C       0.002389     -4.265664      6.416288
  C       0.965185     -4.303862      5.394447
  C       2.320856     -4.105793      5.671830
  C       2.753254     -3.868615      6.975579
  C       1.790587     -3.836159      7.978843
  F       2.179917     -3.610648      9.253462
  C       0.434871     -4.023312      7.729747
  H      -2.607437     -2.369631      3.376620
  H      -4.911010     -2.008596      2.587540
  H      -4.367563     -2.012795      0.892722
  H      -4.112211      1.238087      3.561972
  H      -2.595696     -1.814443     -0.271219
  H      -0.548355     -1.910799     -1.636987
  H       1.574672     -2.853681     -0.692258
  H      -0.471964     -3.652662      3.000099
  H      -6.806269     -4.885872      5.116148
  H      -6.406803     -3.797837      2.394989
  H      -8.124624     -3.857406      2.787677
  H      -5.727864     -1.529284      5.471496
  H      -8.075869     -6.518106      6.020094
  H      -9.966469     -8.130380      5.847392
  H     -10.978214     -8.641477      3.607230
  H      -8.230230     -5.920456      1.740529
  H      -2.483720     -2.595634      6.687009
  H      -1.942683     -5.855426      7.608493
  H      -2.237200     -4.199477      8.175463
  H      -4.233066     -3.205386      8.048498
  H       0.673707     -4.518510      4.368106
  H       3.045523     -4.141317      4.857534
  H       3.804448     -3.716786      7.220068
  H      -0.253325     -3.981192      8.572493
  N      -2.077283     -2.995952      5.834848
  N      -1.133534     -2.017719      5.354739
  H      -0.549462     -1.608427      6.103658
  H      -0.486167     -2.479511      4.696439
  H      -1.684877     -1.263767      4.851352
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.102169317370
  N      -3.373987     -4.098930      2.603841
  C      -3.324538     -5.036772      1.501725
  C      -2.472094     -6.194900      1.995592
  N      -3.114889     -6.704699      3.244679
  C      -4.254629     -7.601384      2.855865
  C      -5.522050     -7.190982      3.569087
  N      -5.548647     -5.746805      3.637327
  Mo     -3.857280     -4.858829      4.416700
  N      -1.825095     -5.126354      4.905103
  C      -1.169807     -6.424476      4.732407
  C      -2.128411     -7.423986      4.094203
  H      -0.816626     -6.846515      5.689660
  H      -0.273961     -6.318527      4.094704
  H      -2.695991     -7.953291      4.866018
  H      -1.584507     -8.163793      3.482707
  H      -6.386584     -7.584709      3.014604
  H      -5.577893     -7.645476      4.581250
  H      -4.403816     -7.504296      1.773620
  H      -3.983803     -8.646082      3.062985
  H      -2.891291     -4.597494      0.592304
  H      -4.346825     -5.391786      1.267854
  H      -1.473448     -5.817420      2.244015
  H      -2.375399     -7.019220      1.271647
  C      -2.904135     -2.745175      2.383955
  C      -4.071090     -1.800662      1.904628
  C      -3.772764     -0.356138      2.071599
  S      -3.476451      0.772373      0.924210
  C      -3.616278      0.257129      3.427890
  O      -2.861012     -0.162256      4.308838
  C      -1.673783     -2.690564      1.490690
  C      -1.657281     -2.189462      0.185995
  C      -0.486253     -2.238781     -0.577451
  C       0.685594     -2.796599     -0.065987
  C       0.646238     -3.301351      1.229396
  F       1.761602     -3.877109      1.753805
  C      -0.500521     -3.254525      2.008586
  C      -6.856440     -5.135010      4.041820
  C      -7.127104     -3.834519      3.229306
  C      -7.003919     -2.562081      4.028655
  S      -8.145145     -1.333327      3.986741
  C      -5.849878     -2.403059      4.814603
  O      -4.881502     -3.270509      4.802359
  C      -8.015842     -6.106052      3.919424
  C      -8.501862     -6.742718      5.067240
  C      -9.560363     -7.650633      4.981533
  C     -10.147161     -7.943882      3.750017
  C      -9.649006     -7.301132      2.620601
  F     -10.208148     -7.571440      1.412175
  C      -8.602910     -6.390472      2.677647
  C      -1.491488     -4.365973      6.103125
  C      -2.332405     -4.870535      7.299797
  C      -3.771731     -4.977138      6.869531
  S      -4.331889     -6.470029      6.229466
  C      -4.728609     -4.040041      7.462409
  O      -5.949505     -4.078322      7.376461
  C       0.003421     -4.267523      6.416174
  C       0.974781     -4.314542      5.403383
  C       2.328432     -4.115347      5.690997
  C       2.750555     -3.868195      6.996148
  C       1.779403     -3.826610      7.990640
  F       2.157672     -3.590786      9.266826
  C       0.425953     -4.014707      7.731223
  H      -2.629530     -2.363860      3.372818
  H      -4.921425     -2.030145      2.559871
  H      -4.363494     -2.022821      0.870129
  H      -4.159994      1.213629      3.568647
  H      -2.551183     -1.743931     -0.246944
  H      -0.486793     -1.837446     -1.591659
  H       1.606024     -2.846226     -0.647460
  H      -0.507794     -3.725441      2.993223
  H      -6.798874     -4.877113      5.114669
  H      -6.417025     -3.802016      2.385333
  H      -8.131412     -3.856445      2.792177
  H      -5.717005     -1.523761      5.454988
  H      -8.048918     -6.516236      6.034178
  H      -9.937817     -8.132933      5.884266
  H     -10.976963     -8.644442      3.656688
  H      -8.257255     -5.918152      1.756893
  H      -2.463708     -2.588348      6.682608
  H      -1.943509     -5.853037      7.602079
  H      -2.241271     -4.196090      8.165899
  H      -4.237833     -3.205806      8.037114
  H       0.693615     -4.536081      4.375834
  H       3.059666     -4.157135      4.883019
  H       3.799771     -3.715260      7.248262
  H      -0.268860     -3.964372      8.568041
  N      -2.073543     -2.995822      5.825981
  N      -1.128679     -2.026902      5.324827
  H      -0.521662     -1.624697      6.059452
  H      -0.504702     -2.494202      4.648647
  H      -1.684080     -1.268259      4.835895
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.102530475091
  N      -3.373713     -4.097976      2.596995
  C      -3.323145     -5.031991      1.491670
  C      -2.474896     -6.194004      1.983724
  N      -3.116978     -6.701886      3.234567
  C      -4.257858     -7.598087      2.846335
  C      -5.524546     -7.190174      3.562222
  N      -5.551103     -5.746402      3.634394
  Mo     -3.856915     -4.858862      4.407264
  N      -1.821628     -5.124141      4.896114
  C      -1.165805     -6.420840      4.713736
  C      -2.128324     -7.421103      4.082292
  H      -0.800408     -6.844807      5.665272
  H      -0.278162     -6.310615      4.065126
  H      -2.693680     -7.948220      4.857252
  H      -1.587431     -8.162320      3.469878
  H      -6.389580     -7.582424      3.007325
  H      -5.579965     -7.647921      4.572904
  H      -4.409101     -7.497517      1.764728
  H      -3.986480     -8.643484      3.049473
  H      -2.885123     -4.589947      0.585388
  H      -4.345547     -5.382568      1.252034
  H      -1.474892     -5.819396      2.230429
  H      -2.381301     -7.018996      1.260313
  C      -2.909594     -2.742074      2.379975
  C      -4.077323     -1.809093      1.884561
  C      -3.802515     -0.360525      2.064141
  S      -3.539779      0.786064      0.927324
  C      -3.654651      0.243265      3.427114
  O      -2.886316     -0.164880      4.301474
  C      -1.664978     -2.686383      1.505498
  C      -1.618646     -2.148883      0.216380
  C      -0.437657     -2.201296     -0.531630
  C       0.713536     -2.799564     -0.019780
  C       0.643537     -3.340861      1.259641
  F       1.737618     -3.960401      1.779717
  C      -0.512099     -3.290949      2.025672
  C      -6.857276     -5.132419      4.042309
  C      -7.130234     -3.835193      3.225801
  C      -6.999193     -2.559120      4.018391
  S      -8.134940     -1.325351      3.971214
  C      -5.844034     -2.400214      4.802573
  O      -4.877178     -3.269412      4.792756
  C      -8.017019     -6.104362      3.931017
  C      -8.490443     -6.741795      5.083868
  C      -9.548100     -7.651470      5.008821
  C     -10.147075     -7.945523      3.783278
  C      -9.661723     -7.301735      2.648984
  F     -10.232952     -7.572460      1.446324
  C      -8.616316     -6.389504      2.695404
  C      -1.489086     -4.366419      6.095781
  C      -2.332611     -4.868426      7.291607
  C      -3.771351     -4.977638      6.860849
  S      -4.328361     -6.470994      6.221382
  C      -4.730624     -4.041212      7.450966
  O      -5.951374     -4.080542      7.360823
  C       0.005635     -4.267802      6.413050
  C       0.982027     -4.322235      5.406075
  C       2.334283     -4.120657      5.698877
  C       2.750662     -3.864075      7.003996
  C       1.774516     -3.815112      7.993230
  F       2.146067     -3.569369      9.269633
  C       0.422516     -4.005195      7.728280
  H      -2.655767     -2.356262      3.372594
  H      -4.933838     -2.051008      2.528004
  H      -4.354934     -2.030567      0.845836
  H      -4.220655      1.185314      3.578035
  H      -2.497427     -1.672502     -0.214489
  H      -0.414117     -1.771642     -1.533891
  H       1.641339     -2.854446     -0.588987
  H      -0.544250     -3.797356      2.994376
  H      -6.794615     -4.869344      5.113518
  H      -6.426230     -3.807555      2.376354
  H      -8.137544     -3.855967      2.795375
  H      -5.708322     -1.518925      5.439575
  H      -8.028534     -6.513839      6.046202
  H      -9.915631     -8.134455      5.915283
  H     -10.976834     -8.647206      3.698358
  H      -8.280608     -5.917194      1.770991
  H      -2.439213     -2.579757      6.682564
  H      -1.942677     -5.850112      7.595224
  H      -2.244171     -4.192769      8.156989
  H      -4.242475     -3.206288      8.026413
  H       0.707957     -4.549928      4.378134
  H       3.068829     -4.167085      4.894123
  H       3.798609     -3.709023      7.260005
  H      -0.275879     -3.947585      8.561581
  N      -2.069955     -2.994359      5.818343
  N      -1.124762     -2.036173      5.292897
  H      -0.494980     -1.640702      6.012073
  H      -0.525622     -2.509827      4.599167
  H      -1.684708     -1.273724      4.818358
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.102871521495
  N      -3.372012     -4.098401      2.589149
  C      -3.319483     -5.028902      1.480992
  C      -2.476463     -6.194957      1.972173
  N      -3.119473     -6.700653      3.223833
  C      -4.262254     -7.594783      2.835136
  C      -5.527274     -7.189142      3.555213
  N      -5.553412     -5.745719      3.631189
  Mo     -3.856018     -4.859236      4.397068
  N      -1.818509     -5.125219      4.886489
  C      -1.163972     -6.421732      4.697525
  C      -2.130584     -7.421260      4.070802
  H      -0.790346     -6.847362      5.644914
  H      -0.282195     -6.309576      4.041080
  H      -2.695406     -7.945863      4.847855
  H      -1.592699     -8.164311      3.458008
  H      -6.393582     -7.579758      3.001013
  H      -5.580938     -7.649989      4.564534
  H      -4.416137     -7.488870      1.754437
  H      -3.991077     -8.641389      3.032536
  H      -2.875774     -4.584377      0.578267
  H      -4.341846     -5.374909      1.234784
  H      -1.475076     -5.824001      2.218224
  H      -2.385845     -7.020490      1.249132
  C      -2.914715     -2.740380      2.374844
  C      -4.083194     -1.819099      1.863661
  C      -3.831596     -0.366652      2.052392
  S      -3.604098      0.793633      0.922400
  C      -3.688836      0.229210      3.420431
  O      -2.911129     -0.171325      4.289551
  C      -1.656713     -2.681160      1.518937
  C      -1.581393     -2.107491      0.247223
  C      -0.389518     -2.157566     -0.483542
  C       0.742652     -2.790024      0.028746
  C       0.642569     -3.368281      1.290080
  F       1.717149     -4.025457      1.804853
  C      -0.523152     -3.321617      2.041340
  C      -6.857690     -5.129726      4.043384
  C      -7.133861     -3.835852      3.223145
  C      -6.994935     -2.556404      4.009156
  S      -8.125227     -1.317679      3.957305
  C      -5.838303     -2.397878      4.791141
  O      -4.872800     -3.268652      4.782738
  C      -8.017724     -6.102575      3.944208
  C      -8.478123     -6.739915      5.102551
  C      -9.535226     -7.650981      5.039252
  C     -10.146994     -7.946400      3.820297
  C      -9.674724     -7.302562      2.680598
  F     -10.258631     -7.574332      1.484289
  C      -8.629809     -6.389101      2.715314
  C      -1.486502     -4.368122      6.086627
  C      -2.332278     -4.866182      7.282487
  C      -3.770451     -4.978083      6.851686
  S      -4.324856     -6.471931      6.213298
  C      -4.731495     -4.041500      7.438637
  O      -5.952162     -4.081759      7.345360
  C       0.007737     -4.269255      6.409034
  C       0.990578     -4.331306      5.409194
  C       2.341200     -4.128424      5.709602
  C       2.749780     -3.862884      7.015303
  C       1.767253     -3.805986      7.997595
  F       2.130319     -3.550931      9.274710
  C       0.417113     -3.997245      7.724994
  H      -2.680387     -2.350583      3.370621
  H      -4.945357     -2.072294      2.495879
  H      -4.346457     -2.041260      0.821338
  H      -4.270465      1.160494      3.579233
  H      -2.446156     -1.604725     -0.181997
  H      -0.342488     -1.699881     -1.472479
  H       1.678543     -2.845441     -0.527052
  H      -0.587467     -3.863708      2.992054
  H      -6.789015     -4.861597      5.112873
  H      -6.436424     -3.812931      2.367967
  H      -8.144330     -3.855865      2.799966
  H      -5.699674     -1.514895      5.425121
  H      -8.006690     -6.510148      6.059819
  H      -9.892560     -8.133881      5.949834
  H     -10.976917     -8.648950      3.744653
  H      -8.304462     -5.917344      1.786938
  H      -2.418094     -2.572234      6.674913
  H      -1.941489     -5.846710      7.588752
  H      -2.245869     -4.188138      8.146169
  H      -4.245365     -3.205452      8.013735
  H       0.724590     -4.564688      4.380576
  H       3.080734     -4.180169      4.909832
  H       3.796151     -3.706583      7.276900
  H      -0.286175     -3.932454      8.553613
  N      -2.065917     -2.994651      5.806881
  N      -1.121645     -2.046723      5.257938
  H      -0.470867     -1.657396      5.961748
  H      -0.546651     -2.526376      4.547929
  H      -1.685586     -1.280421      4.796889
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.103194468415
  N      -3.372537     -4.098640      2.582364
  C      -3.319183     -5.025753      1.471398
  C      -2.480738     -6.195928      1.960398
  N      -3.122233     -6.699441      3.214180
  C      -4.266518     -7.593026      2.827179
  C      -5.530336     -7.188825      3.550226
  N      -5.555884     -5.745766      3.628944
  Mo     -3.855735     -4.859795      4.388088
  N      -1.814953     -5.123883      4.875866
  C      -1.160819     -6.419798      4.679791
  C      -2.131136     -7.419894      4.059362
  H      -0.777408     -6.846312      5.622633
  H      -0.285782     -6.305198      4.014602
  H      -2.693818     -7.942294      4.839462
  H      -1.596212     -8.164462      3.445865
  H      -6.397556     -7.578086      2.996367
  H      -5.583085     -7.651964      4.558505
  H      -4.422810     -7.484733      1.747081
  H      -3.995069     -8.640158      3.021637
  H      -2.871157     -4.578897      0.571509
  H      -4.341838     -5.367185      1.220246
  H      -1.477500     -5.828917      2.203820
  H      -2.394461     -7.021965      1.237544
  C      -2.920817     -2.738884      2.371050
  C      -4.088722     -1.829023      1.842227
  C      -3.861391     -0.373233      2.042025
  S      -3.665819      0.800715      0.920837
  C      -3.727884      0.214324      3.415657
  O      -2.940106     -0.175693      4.280011
  C      -1.648062     -2.677056      1.536269
  C      -1.541009     -2.069604      0.282991
  C      -0.337247     -2.119808     -0.428265
  C       0.773857     -2.786930      0.085535
  C       0.640866     -3.399527      1.327653
  F       1.693481     -4.095353      1.837711
  C      -0.535547     -3.352874      2.062290
  C      -6.858410     -5.127293      4.044191
  C      -7.136335     -3.836427      3.220185
  C      -6.990464     -2.553862      4.000104
  S      -8.115400     -1.310399      3.942991
  C      -5.833150     -2.395952      4.781116
  O      -4.868920     -3.268120      4.774586
  C      -8.019092     -6.100327      3.955348
  C      -8.469200     -6.736647      5.118453
  C      -9.526154     -7.648397      5.065227
  C     -10.148386     -7.945378      3.851893
  C      -9.686535     -7.302362      2.707541
  F     -10.280791     -7.575460      1.516651
  C      -8.641684     -6.388362      2.732201
  C      -1.483315     -4.368779      6.077194
  C      -2.330214     -4.864750      7.273086
  C      -3.768237     -4.979113      6.843161
  S      -4.320376     -6.473436      6.205873
  C      -4.730695     -4.042718      7.428087
  O      -5.951334     -4.084015      7.332674
  C       0.010887     -4.269067      6.402351
  C       0.997432     -4.336639      5.407020
  C       2.346896     -4.131302      5.711247
  C       2.751101     -3.858036      7.016666
  C       1.764879     -3.795510      7.994854
  F       2.122827     -3.532419      9.271887
  C       0.415967     -3.988912      7.718192
  H      -2.707129     -2.345233      3.369873
  H      -4.957866     -2.094894      2.460385
  H      -4.334337     -2.050399      0.795419
  H      -4.329120      1.131757      3.582470
  H      -2.390582     -1.541363     -0.146003
  H      -0.264587     -1.636325     -1.403275
  H       1.718169     -2.845483     -0.455545
  H      -0.633194     -3.927383      2.993978
  H      -6.784885     -4.854509      5.112090
  H      -6.444095     -3.818216      2.360500
  H      -8.149237     -3.855390      2.802633
  H      -5.692266     -1.511588      5.412627
  H      -7.989983     -6.505012      6.071390
  H      -9.875379     -8.130539      5.979356
  H     -10.978675     -8.648309      3.784194
  H      -8.324627     -5.917765      1.800383
  H      -2.396739     -2.565246      6.670219
  H      -1.938045     -5.844394      7.580395
  H      -2.245463     -4.185453      8.135893
  H      -4.246177     -3.205526      8.002494
  H       0.736762     -4.574354      4.378235
  H       3.089004     -4.186353      4.914059
  H       3.796448     -3.699663      7.281053
  H      -0.289922     -3.918657      8.544106
  N      -2.062720     -2.994075      5.797369
  N      -1.120178     -2.055796      5.225469
  H      -0.449077     -1.673853      5.914199
  H      -0.570849     -2.541020      4.498775
  H      -1.688034     -1.285196      4.779243
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.103534143159
  N      -3.375721     -4.102460      2.577336
  C      -3.323950     -5.027224      1.464493
  C      -2.490157     -6.202807      1.950003
  N      -3.126489     -6.702597      3.208640
  C      -4.272406     -7.597414      2.827292
  C      -5.535106     -7.191297      3.551000
  N      -5.557779     -5.748511      3.628735
  Mo     -3.855313     -4.862910      4.382059
  N      -1.809856     -5.122991      4.864717
  C      -1.157015     -6.419149      4.663694
  C      -2.131211     -7.420811      4.051448
  H      -0.764070     -6.844590      5.602784
  H      -0.288421     -6.303859      3.990116
  H      -2.690552     -7.940372      4.835932
  H      -1.599640     -8.167429      3.437654
  H      -6.403236     -7.579196      2.997409
  H      -5.588770     -7.654169      4.559296
  H      -4.430811     -7.492075      1.747224
  H      -4.000865     -8.644133      3.024022
  H      -2.873535     -4.579000      0.565926
  H      -4.347817     -5.363304      1.211224
  H      -1.483202     -5.842625      2.186574
  H      -2.412625     -7.029707      1.227295
  C      -2.928089     -2.741455      2.368541
  C      -4.095045     -1.844166      1.820041
  C      -3.896297     -0.385225      2.034218
  S      -3.732236      0.802954      0.923785
  C      -3.775374      0.192991      3.414006
  O      -2.973316     -0.181048      4.271816
  C      -1.640989     -2.675637      1.554646
  C      -1.506512     -2.034204      0.321239
  C      -0.291528     -2.077416     -0.371200
  C       0.802700     -2.770866      0.142643
  C       0.641487     -3.417136      1.364218
  F       1.677946     -4.141483      1.868222
  C      -0.545381     -3.378673      2.082875
  C      -6.858360     -5.124779      4.043666
  C      -7.133218     -3.836708      3.214517
  C      -6.981808     -2.551107      3.988737
  S      -8.099546     -1.301592      3.922445
  C      -5.825542     -2.394726      4.771584
  O      -4.863305     -3.268848      4.768939
  C      -8.021346     -6.095687      3.962603
  C      -8.467231     -6.727218      5.130116
  C      -9.525644     -7.637578      5.084866
  C     -10.153803     -7.937882      3.875337
  C      -9.696211     -7.299618      2.726692
  F     -10.296175     -7.576094      1.539457
  C      -8.649759     -6.387146      2.743350
  C      -1.476960     -4.368868      6.067032
  C      -2.324101     -4.861827      7.263686
  C      -3.762304     -4.978723      6.835621
  S      -4.313690     -6.474553      6.203192
  C      -4.725288     -4.041232      7.417892
  O      -5.946055     -4.084472      7.322993
  C       0.017637     -4.269511      6.394378
  C       1.007760     -4.341363      5.403366
  C       2.356190     -4.134848      5.712014
  C       2.756037     -3.856204      7.017528
  C       1.766278     -3.788824      7.991576
  F       2.119301     -3.520137      9.268917
  C       0.418568     -3.983194      7.710482
  H      -2.735726     -2.343019      3.369752
  H      -4.973151     -2.127343      2.418821
  H      -4.316698     -2.062270      0.767254
  H      -4.403214      1.090504      3.591230
  H      -2.344210     -1.486013     -0.106223
  H      -0.197034     -1.568284     -1.331170
  H       1.755314     -2.826570     -0.384065
  H      -0.671027     -3.982949      2.994724
  H      -6.782274     -4.847328      5.110082
  H      -6.442373     -3.824171      2.353448
  H      -8.146777     -3.853615      2.798336
  H      -5.683019     -1.509124      5.400936
  H      -7.983522     -6.492583      6.080038
  H      -9.871503     -8.115971      6.002240
  H     -10.985461     -8.639770      3.813878
  H      -8.336211     -5.920638      1.808299
  H      -2.372256     -2.557910      6.663966
  H      -1.930212     -5.840153      7.572770
  H      -2.240558     -4.180474      8.124942
  H      -4.241526     -3.200794      7.987800
  H       0.751596     -4.580736      4.374151
  H       3.101382     -4.192553      4.917969
  H       3.800472     -3.696965      7.284942
  H      -0.289838     -3.908957      8.533874
  N      -2.054849     -2.992278      5.786721
  N      -1.116033     -2.061438      5.190894
  H      -0.424682     -1.686835      5.863504
  H      -0.594085     -2.549892      4.445870
  H      -1.689415     -1.286918      4.761932
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.103913243658
  N      -3.380340     -4.107008      2.576677
  C      -3.330395     -5.028882      1.462055
  C      -2.501527     -6.210589      1.942920
  N      -3.131437     -6.707029      3.207069
  C      -4.278242     -7.604894      2.832883
  C      -5.540052     -7.196130      3.556389
  N      -5.560051     -5.753421      3.630020
  Mo     -3.857309     -4.867480      4.380712
  N      -1.807643     -5.122115      4.857653
  C      -1.154358     -6.417245      4.651636
  C      -2.130880     -7.421493      4.047241
  H      -0.751866     -6.840908      5.587198
  H      -0.291752     -6.300152      3.970476
  H      -2.686264     -7.938784      4.836178
  H      -1.601820     -8.169650      3.433325
  H      -6.408889     -7.584043      3.003771
  H      -5.594353     -7.656548      4.565725
  H      -4.439067     -7.504780      1.752708
  H      -4.005585     -8.650515      3.034044
  H      -2.877711     -4.578924      0.564903
  H      -4.355613     -5.359477      1.206754
  H      -1.489295     -5.859914      2.170635
  H      -2.435737     -7.037610      1.219392
  C      -2.935857     -2.744941      2.370629
  C      -4.099578     -1.858862      1.800833
  C      -3.927932     -0.397451      2.029224
  S      -3.800355      0.803018      0.928214
  C      -3.813005      0.173212      3.413744
  O      -2.990085     -0.180155      4.260099
  C      -1.633679     -2.675161      1.578055
  C      -1.473114     -1.997932      0.366968
  C      -0.247496     -2.032204     -0.307394
  C       0.831039     -2.751303      0.203445
  C       0.643791     -3.431296      1.402642
  F       1.665646     -4.182185      1.898558
  C      -0.552870     -3.402560      2.105778
  C      -6.859571     -5.123806      4.041267
  C      -7.129421     -3.839526      3.205037
  C      -6.973586     -2.549591      3.971747
  S      -8.081740     -1.292505      3.889142
  C      -5.820584     -2.394210      4.759761
  O      -4.861004     -3.270802      4.765330
  C      -8.024796     -6.092378      3.966406
  C      -8.469262     -6.717410      5.138137
  C      -9.528938     -7.626476      5.099620
  C     -10.159995     -7.931883      3.892791
  C      -9.703880     -7.300065      2.740076
  F     -10.306583     -7.581727      1.555464
  C      -8.655976     -6.389033      2.749962
  C      -1.472008     -4.367614      6.059491
  C      -2.319914     -4.855967      7.257164
  C      -3.758378     -4.975771      6.829586
  S      -4.309411     -6.475201      6.205880
  C      -4.722264     -4.036757      7.408416
  O      -5.943162     -4.084434      7.316603
  C       0.023747     -4.270246      6.385134
  C       1.012263     -4.345236      5.393295
  C       2.361157     -4.138994      5.699521
  C       2.763427     -3.857956      7.003671
  C       1.775166     -3.787245      7.978998
  F       2.130182     -3.515985      9.255347
  C       0.426962     -3.980998      7.700146
  H      -2.764577     -2.341959      3.373671
  H      -4.988439     -2.159219      2.376382
  H      -4.294088     -2.071884      0.741734
  H      -4.469799      1.046834      3.605027
  H      -2.299675     -1.430734     -0.057267
  H      -0.132908     -1.496615     -1.250648
  H       1.791144     -2.803160     -0.309953
  H      -0.697965     -4.034107      2.998502
  H      -6.783306     -4.840907      5.106160
  H      -6.438336     -3.834040      2.343995
  H      -8.142827     -3.854845      2.788283
  H      -5.678171     -1.506894      5.386676
  H      -7.983089     -6.478708      6.085791
  H      -9.873599     -8.099828      6.020050
  H     -10.992710     -8.632953      3.836565
  H      -8.343781     -5.927828      1.811827
  H      -2.349177     -2.547736      6.657728
  H      -1.924583     -5.832310      7.570280
  H      -2.238130     -4.170859      8.115591
  H      -4.239470     -3.190697      7.970316
  H       0.753923     -4.583884      4.364690
  H       3.105421     -4.198243      4.904624
  H       3.808444     -3.699048      7.268969
  H      -0.279819     -3.904420      8.524705
  N      -2.047230     -2.987615      5.778051
  N      -1.112709     -2.063979      5.156995
  H      -0.403013     -1.692704      5.812099
  H      -0.616481     -2.555493      4.395568
  H      -1.690454     -1.286727      4.742260
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.104313600704
  N      -3.386347     -4.115350      2.576741
  C      -3.339767     -5.035922      1.461894
  C      -2.514735     -6.222799      1.938210
  N      -3.136065     -6.714654      3.209300
  C      -4.283808     -7.617076      2.846549
  C      -5.544703     -7.202234      3.568452
  N      -5.561222     -5.759388      3.634170
  Mo     -3.858451     -4.873114      4.381644
  N      -1.804049     -5.120738      4.850019
  C      -1.149235     -6.414070      4.639109
  C      -2.128542     -7.422819      4.046828
  H      -0.734104     -6.833829      5.570706
  H      -0.294306     -6.295903      3.948158
  H      -2.678588     -7.935483      4.842660
  H      -1.602700     -8.174157      3.434184
  H      -6.414436     -7.591171      3.017916
  H      -5.599716     -7.656790      4.580388
  H      -4.447137     -7.527866      1.765809
  H      -4.009966     -8.660416      3.057669
  H      -2.886832     -4.585317      0.564708
  H      -4.366576     -5.362757      1.207287
  H      -1.496348     -5.882663      2.154375
  H      -2.463229     -7.050219      1.214160
  C      -2.946503     -2.752469      2.371519
  C      -4.106220     -1.875625      1.782384
  C      -3.957977     -0.413080      2.025466
  S      -3.856526      0.797366      0.933481
  C      -3.849844      0.149728      3.414383
  O      -3.010819     -0.187215      4.251449
  C      -1.633159     -2.678374      1.596319
  C      -1.455549     -1.965724      0.407896
  C      -0.221922     -1.982772     -0.252152
  C       0.847954     -2.718125      0.252101
  C       0.643603     -3.432234      1.428095
  F       1.659880     -4.197593      1.913703
  C      -0.560997     -3.423429      2.119192
  C      -6.859636     -5.123029      4.039510
  C      -7.122191     -3.842428      3.195632
  C      -6.963918     -2.548225      3.955104
  S      -8.063174     -1.284569      3.855724
  C      -5.814198     -2.393307      4.748202
  O      -4.857585     -3.272602      4.762608
  C      -8.027891     -6.088019      3.967529
  C      -8.476392     -6.704662      5.142277
  C      -9.538397     -7.611083      5.107224
  C     -10.167794     -7.922135      3.900917
  C      -9.707646     -7.298711      2.745288
  F     -10.308591     -7.586261      1.561219
  C      -8.657276     -6.390428      2.751648
  C      -1.463730     -4.363088      6.050052
  C      -2.312515     -4.844663      7.249421
  C      -3.751301     -4.968589      6.823187
  S      -4.302425     -6.473973      6.213071
  C      -4.715603     -4.027800      7.399268
  O      -5.936644     -4.080720      7.313326
  C       0.032487     -4.270337      6.376910
  C       1.022929     -4.347218      5.387413
  C       2.371845     -4.147324      5.697649
  C       2.772090     -3.869470      7.003008
  C       1.781786     -3.795471      7.975827
  F       2.134588     -3.527123      9.253528
  C       0.433743     -3.983865      7.693277
  H      -2.792182     -2.345006      3.375407
  H      -5.005756     -2.191747      2.333390
  H      -4.273424     -2.081341      0.717165
  H      -4.530498      1.001993      3.618013
  H      -2.276202     -1.385807     -0.010502
  H      -0.094649     -1.420412     -1.178052
  H       1.814457     -2.758291     -0.250268
  H      -0.720933     -4.078290      2.992892
  H      -6.785016     -4.835315      5.103213
  H      -6.427937     -3.844401      2.337139
  H      -8.134075     -3.856567      2.775111
  H      -5.672256     -1.504300      5.372800
  H      -7.991013     -6.461833      6.089292
  H      -9.886139     -8.077924      6.029808
  H     -11.002151     -8.621460      3.847330
  H      -8.342104     -5.935779      1.811296
  H      -2.323982     -2.533454      6.645634
  H      -1.915638     -5.818328      7.568550
  H      -2.231943     -4.154200      8.103749
  H      -4.232944     -3.174811      7.950404
  H       0.765485     -4.581534      4.357962
  H       3.118790     -4.209361      4.905517
  H       3.817184     -3.715547      7.270901
  H      -0.274474     -3.906814      8.516623
  N      -2.033259     -2.981667      5.765141
  N      -1.103545     -2.063887      5.122750
  H      -0.373603     -1.705867      5.762616
  H      -0.637492     -2.556607      4.342480
  H      -1.684966     -1.279841      4.727864
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.104769976871
  N      -3.392891     -4.121073      2.581140
  C      -3.345644     -5.039724      1.465847
  C      -2.524883     -6.230661      1.939254
  N      -3.141175     -6.719898      3.214254
  C      -4.288688     -7.626462      2.859494
  C      -5.548485     -7.208248      3.581629
  N      -5.563610     -5.765162      3.639266
  Mo     -3.863119     -4.876976      4.386733
  N      -1.805517     -5.118984      4.846567
  C      -1.149472     -6.411331      4.635742
  C      -2.129284     -7.423294      4.050604
  H      -0.729010     -6.827247      5.566659
  H      -0.297149     -6.293769      3.941015
  H      -2.675920     -7.933340      4.850568
  H      -1.604620     -8.176534      3.439345
  H      -6.419186     -7.599582      3.034365
  H      -5.601714     -7.657190      4.596142
  H      -4.454824     -7.544310      1.778638
  H      -4.012578     -8.667892      3.076918
  H      -2.890332     -4.587717      0.570262
  H      -4.372845     -5.364201      1.208628
  H      -1.501368     -5.900798      2.147684
  H      -2.484914     -7.057352      1.213745
  C      -2.957102     -2.757269      2.377929
  C      -4.110158     -1.886801      1.768764
  C      -3.981342     -0.423452      2.023032
  S      -3.912001      0.793406      0.936132
  C      -3.870953      0.135605      3.413607
  O      -3.011605     -0.182710      4.237268
  C      -1.630927     -2.678021      1.622177
  C      -1.431629     -1.929657      0.459129
  C      -0.188878     -1.934582     -0.184323
  C       0.868805     -2.692747      0.311833
  C       0.643222     -3.440893      1.462168
  F       1.648494     -4.227685      1.937251
  C      -0.569715     -3.444575      2.138886
  C      -6.862321     -5.124251      4.038201
  C      -7.119729     -3.848224      3.186370
  C      -6.959335     -2.548385      3.936201
  S      -8.047690     -1.277304      3.813378
  C      -5.814318     -2.392034      4.736068
  O      -4.860231     -3.273349      4.762863
  C      -8.031606     -6.087957      3.967563
  C      -8.483759     -6.698207      5.144333
  C      -9.545936     -7.604456      5.110983
  C     -10.171759     -7.921756      3.904388
  C      -9.707913     -7.304784      2.746822
  F     -10.305232     -7.598730      1.562515
  C      -8.657295     -6.396746      2.751429
  C      -1.459122     -4.356674      6.042061
  C      -2.309356     -4.829054      7.244310
  C      -3.748914     -4.957436      6.818851
  S      -4.300062     -6.470006      6.223656
  C      -4.714024     -4.015568      7.393205
  O      -5.935143     -4.075583      7.315666
  C       0.038372     -4.269974      6.364515
  C       1.023282     -4.347425      5.369651
  C       2.374239     -4.154615      5.673394
  C       2.782161     -3.883069      6.977750
  C       1.797184     -3.808174      7.956129
  F       2.157867     -3.545980      9.232985
  C       0.446850     -3.989966      7.679982
  H      -2.818749     -2.346680      3.382817
  H      -5.021093     -2.214433      2.294446
  H      -4.250544     -2.085543      0.698273
  H      -4.571965      0.967744      3.630657
  H      -2.242895     -1.333738      0.045290
  H      -0.045801     -1.345473     -1.091102
  H       1.841449     -2.726023     -0.179045
  H      -0.743739     -4.122600      2.993377
  H      -6.790609     -4.831856      5.100788
  H      -6.424066     -3.858061      2.329027
  H      -8.130752     -3.862704      2.763710
  H      -5.674798     -1.500123      5.357078
  H      -8.000583     -6.450975      6.091348
  H      -9.896571     -8.066296      6.034972
  H     -11.005991     -8.621330      3.852110
  H      -8.339198     -5.947253      1.809571
  H      -2.301096     -2.516195      6.632328
  H      -1.911930     -5.799513      7.572186
  H      -2.229472     -4.131590      8.093111
  H      -4.231997     -3.155292      7.933102
  H       0.757852     -4.576156      4.341157
  H       3.117459     -4.217554      4.877648
  H       3.829345     -3.734731      7.240589
  H      -0.256865     -3.914030      8.507304
  N      -2.023919     -2.972778      5.753261
  N      -1.099780     -2.065158      5.084844
  H      -0.352840     -1.709350      5.705788
  H      -0.659669     -2.561669      4.290739
  H      -1.683028     -1.277589      4.700822
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.105265638374
  N      -3.399517     -4.129816      2.585078
  C      -3.351811     -5.049200      1.471400
  C      -2.534512     -6.243124      1.944109
  N      -3.145718     -6.728260      3.223459
  C      -4.293040     -7.639270      2.879068
  C      -5.551971     -7.214306      3.599213
  N      -5.564442     -5.770976      3.645249
  Mo     -3.866395     -4.880623      4.392771
  N      -1.805186     -5.117584      4.842803
  C      -1.149375     -6.410567      4.636896
  C      -2.130316     -7.425908      4.060379
  H      -0.725695     -6.820554      5.569020
  H      -0.298043     -6.297489      3.939744
  H      -2.674477     -7.930853      4.865351
  H      -1.607227     -8.183100      3.452687
  H      -6.423568     -7.608595      3.055618
  H      -5.604333     -7.654767      4.617506
  H      -4.460810     -7.568884      1.797619
  H      -4.015511     -8.677865      3.107725
  H      -2.895373     -4.597617      0.575971
  H      -4.379270     -5.373330      1.213450
  H      -1.506130     -5.923247      2.144389
  H      -2.506246     -7.069833      1.218082
  C      -2.969051     -2.764719      2.382287
  C      -4.115715     -1.900034      1.754918
  C      -4.008131     -0.437527      2.026246
  S      -3.962785      0.789353      0.949673
  C      -3.900547      0.112217      3.420564
  O      -3.023654     -0.190244      4.231803
  C      -1.634289     -2.677977      1.641945
  C      -1.422711     -1.894850      0.503866
  C      -0.173850     -1.880346     -0.127419
  C       0.878581     -2.652924      0.356753
  C       0.640987     -3.434844      1.481409
  F       1.643188     -4.233499      1.943328
  C      -0.577801     -3.459146      2.147962
  C      -6.863040     -5.124650      4.036726
  C      -7.114288     -3.853339      3.176338
  C      -6.952022     -2.547315      3.915300
  S      -8.030121     -1.269954      3.768742
  C      -5.811146     -2.388059      4.720794
  O      -4.860107     -3.271658      4.761702
  C      -8.033945     -6.086313      3.965333
  C      -8.494576     -6.687734      5.143349
  C      -9.557698     -7.592892      5.109333
  C     -10.175688     -7.918030      3.900784
  C      -9.703256     -7.309987      2.741978
  F     -10.292668     -7.612081      1.555792
  C      -8.651698     -6.403081      2.747184
  C      -1.451595     -4.347696      6.032409
  C      -2.304324     -4.807101      7.238043
  C      -3.744498     -4.940009      6.813628
  S      -4.296586     -6.461348      6.237592
  C      -4.709760     -3.996169      7.386223
  O      -5.930852     -4.063166      7.319153
  C       0.046464     -4.270373      6.353717
  C       1.029347     -4.348523      5.356698
  C       2.381857     -4.168369      5.659735
  C       2.793255     -3.907760      6.965320
  C       1.810273     -3.831209      7.945561
  F       2.174863     -3.579627      9.223551
  C       0.458262     -4.001586      7.670365
  H      -2.844556     -2.350770      3.387804
  H      -5.037545     -2.241509      2.252157
  H      -4.227287     -2.086987      0.678733
  H      -4.621985      0.922505      3.652349
  H      -2.229876     -1.288756      0.097067
  H      -0.022701     -1.264682     -1.015048
  H       1.855863     -2.672837     -0.125540
  H      -0.758492     -4.157532      2.982639
  H      -6.795096     -4.827789      5.098333
  H      -6.416454     -3.872260      2.320932
  H      -8.124032     -3.868489      2.750643
  H      -5.673578     -1.491949      5.336224
  H      -8.016776     -6.435118      6.091679
  H      -9.915036     -8.047815      6.034169
  H     -11.010156     -8.617283      3.847925
  H      -8.326710     -5.960606      1.804340
  H      -2.272304     -2.493569      6.611456
  H      -1.907516     -5.773949      7.577105
  H      -2.224410     -4.101017      8.079830
  H      -4.227463     -3.128028      7.912918
  H       0.759109     -4.568504      4.327802
  H       3.124401     -4.233529      4.863495
  H       3.841962     -3.769315      7.227503
  H      -0.243812     -3.927322      8.499243
  N      -2.006650     -2.963555      5.735205
  N      -1.087487     -2.066976      5.043918
  H      -0.320691     -1.724777      5.647698
  H      -0.677544     -2.565422      4.233728
  H      -1.671533     -1.271602      4.677241
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.105748917306
  N      -3.402085     -4.135848      2.586196
  C      -3.350752     -5.055827      1.474043
  C      -2.538939     -6.252489      1.948449
  N      -3.149558     -6.733634      3.229234
  C      -4.296808     -7.646737      2.890927
  C      -5.553900     -7.217387      3.611993
  N      -5.565737     -5.773705      3.647417
  Mo     -3.870684     -4.880798      4.395627
  N      -1.808149     -5.117358      4.839720
  C      -1.153649     -6.412137      4.643123
  C      -2.134505     -7.428380      4.068880
  H      -0.734646     -6.817461      5.579556
  H      -0.298060     -6.305309      3.949834
  H      -2.679493     -7.929705      4.875565
  H      -1.611584     -8.188739      3.464967
  H      -6.427002     -7.615455      3.073805
  H      -5.602200     -7.650144      4.633813
  H      -4.466846     -7.582394      1.809445
  H      -4.018206     -8.683698      3.125447
  H      -2.890106     -4.604780      0.580481
  H      -4.377583     -5.379583      1.211735
  H      -1.506791     -5.942643      2.144836
  H      -2.519625     -7.078941      1.221792
  C      -2.979106     -2.769068      2.383293
  C      -4.118554     -1.909239      1.738172
  C      -4.031707     -0.448068      2.025754
  S      -4.019699      0.787974      0.958758
  C      -3.918298      0.091876      3.423027
  O      -3.022513     -0.198461      4.218250
  C      -1.634745     -2.673297      1.660214
  C      -1.405921     -1.853823      0.551223
  C      -0.149181     -1.822744     -0.063761
  C       0.894856     -2.614645      0.407536
  C       0.640675     -3.432221      1.502416
  F       1.634927     -4.248852      1.949871
  C      -0.585397     -3.473210      2.155153
  C      -6.864579     -5.125131      4.035726
  C      -7.116620     -3.859814      3.167314
  C      -6.950076     -2.546477      3.892436
  S      -8.018567     -1.263811      3.722375
  C      -5.811966     -2.382144      4.701217
  O      -4.863220     -3.267091      4.756743
  C      -8.034911     -6.087770      3.968171
  C      -8.498096     -6.681451      5.149037
  C      -9.560271     -7.587909      5.118404
  C     -10.174390     -7.922213      3.910402
  C      -9.699260     -7.321911      2.748649
  F     -10.284736     -7.633310      1.562955
  C      -8.648828     -6.413755      2.750463
  C      -1.448101     -4.339003      6.022167
  C      -2.304488     -4.784077      7.231082
  C      -3.744893     -4.920898      6.806289
  S      -4.297766     -6.450281      6.247084
  C      -4.710633     -3.975325      7.377319
  O      -5.931506     -4.049055      7.320235
  C       0.050181     -4.271744      6.342304
  C       1.029941     -4.348743      5.341720
  C       2.384260     -4.182265      5.642543
  C       2.800585     -3.935960      6.949486
  C       1.820779     -3.860098      7.933010
  F       2.190922     -3.622676      9.212203
  C       0.466688     -4.017788      7.660190
  H      -2.868334     -2.352207      3.389337
  H      -5.050359     -2.262445      2.207480
  H      -4.203121     -2.084069      0.657267
  H      -4.654265      0.883682      3.672009
  H      -2.205599     -1.233747      0.151025
  H       0.013890     -1.179100     -0.929151
  H       1.877467     -2.623319     -0.064065
  H      -0.781002     -4.195456      2.965941
  H      -6.797227     -4.823078      5.095906
  H      -6.422548     -3.888285      2.309098
  H      -8.127833     -3.877499      2.745166
  H      -5.676440     -1.480664      5.309281
  H      -8.022675     -6.422376      6.096834
  H      -9.919718     -8.036737      6.045385
  H     -11.007742     -8.622987      3.860168
  H      -8.321613     -5.977414      1.805520
  H      -2.248262     -2.471051      6.586360
  H      -1.909586     -5.747142      7.582991
  H      -2.224520     -4.068445      8.064927
  H      -4.228342     -3.100344      7.892318
  H       0.753550     -4.557749      4.312263
  H       3.124846     -4.247698      4.844425
  H       3.851062     -3.808228      7.210053
  H      -0.232927     -3.946861      8.491420
  N      -1.994222     -2.954031      5.716182
  N      -1.078708     -2.071516      5.003625
  H      -0.293329     -1.741226      5.589618
  H      -0.698282     -2.572752      4.179257
  H      -1.659684     -1.267402      4.650866
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.100721634853
  N      -3.415100     -4.141285      2.570706
  C      -3.364202     -5.064520      1.460804
  C      -2.554770     -6.262049      1.938909
  N      -3.159766     -6.736895      3.223699
  C      -4.304676     -7.655004      2.893307
  C      -5.560269     -7.224072      3.616143
  N      -5.578373     -5.779513      3.639712
  Mo     -3.886462     -4.879447      4.382545
  N      -1.824774     -5.102210      4.820309
  C      -1.165289     -6.397427      4.642368
  C      -2.141229     -7.421127      4.069224
  H      -0.755209     -6.792804      5.587288
  H      -0.302222     -6.296971      3.957614
  H      -2.685157     -7.919990      4.877912
  H      -1.613761     -8.183369      3.471506
  H      -6.434534     -7.630239      3.086041
  H      -5.600314     -7.647424      4.642308
  H      -4.478728     -7.596571      1.812069
  H      -4.022049     -8.689680      3.132767
  H      -2.901126     -4.617578      0.567332
  H      -4.391442     -5.387959      1.197449
  H      -1.520325     -5.957557      2.129209
  H      -2.541837     -7.090765      1.214657
  C      -2.977555     -2.776156      2.374689
  C      -4.088199     -1.878768      1.736835
  C      -3.971348     -0.433968      2.083401
  S      -3.934827      0.840915      1.063238
  C      -3.778780      0.039374      3.495625
  O      -2.845413     -0.302220      4.225902
  C      -1.627800     -2.679098      1.666930
  C      -1.371792     -1.820889      0.594290
  C      -0.103804     -1.782082      0.002516
  C       0.926383     -2.599165      0.464070
  C       0.647579     -3.450340      1.526729
  F       1.628981     -4.283176      1.971247
  C      -0.592178     -3.502017      2.150784
  C      -6.878851     -5.137684      4.032306
  C      -7.146034     -3.881434      3.155995
  C      -6.977925     -2.560015      3.864989
  S      -8.047715     -1.280049      3.681049
  C      -5.838138     -2.383986      4.669159
  O      -4.886205     -3.265192      4.734418
  C      -8.042636     -6.108984      3.978238
  C      -8.499216     -6.692445      5.166542
  C      -9.556347     -7.605240      5.148636
  C     -10.171227     -7.956632      3.946007
  C      -9.702151     -7.366742      2.776379
  F     -10.288270     -7.695333      1.595682
  C      -8.657395     -6.452278      2.765519
  C      -1.464555     -4.300446      5.987523
  C      -2.319058     -4.734928      7.203583
  C      -3.759956     -4.893075      6.784716
  S      -4.301257     -6.436749      6.244245
  C      -4.732424     -3.953953      7.356950
  O      -5.952288     -4.048519      7.321591
  C       0.032966     -4.234953      6.305867
  C       1.010756     -4.316018      5.302790
  C       2.366806     -4.164382      5.603383
  C       2.786014     -3.923525      6.910543
  C       1.807956     -3.839573      7.895083
  F       2.181747     -3.608350      9.174394
  C       0.452321     -3.985704      7.623592
  H      -2.863124     -2.372015      3.385768
  H      -5.035302     -2.225512      2.177547
  H      -4.157970     -2.010670      0.648477
  H      -4.477016      0.841056      3.812403
  H      -2.157202     -1.176334      0.202809
  H       0.079851     -1.109300     -0.836149
  H       1.917297     -2.597973      0.010375
  H      -0.812068     -4.239606      2.932754
  H      -6.806734     -4.828462      5.090068
  H      -6.462054     -3.917327      2.290134
  H      -8.161713     -3.908158      2.745253
  H      -5.705767     -1.475723      5.267808
  H      -8.022759     -6.420600      6.110211
  H      -9.910896     -8.045750      6.081469
  H     -11.000347     -8.663043      3.905652
  H      -8.335416     -6.023900      1.815124
  H      -2.248469     -2.387329      6.531950
  H      -1.916239     -5.689044      7.570834
  H      -2.242717     -4.006689      8.026872
  H      -4.255793     -3.069308      7.860618
  H       0.730021     -4.518936      4.272748
  H       3.107087     -4.238979      4.806043
  H       3.837968     -3.806715      7.170423
  H      -0.245987     -3.912771      8.455692
  N      -2.028504     -2.996914      5.692335
  N      -1.106679     -2.120360      4.993621
  H      -0.312967     -1.809455      5.578407
  H      -0.736080     -2.617595      4.160256
  H      -1.673620     -1.302130      4.649003
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.104141616449
  N      -3.413707     -4.143227      2.568024
  C      -3.361049     -5.077402      1.465998
  C      -2.552410     -6.272111      1.953218
  N      -3.158760     -6.739841      3.238263
  C      -4.303532     -7.658046      2.914931
  C      -5.556980     -7.219622      3.636747
  N      -5.574834     -5.774798      3.646543
  Mo     -3.885861     -4.868873      4.387071
  N      -1.825103     -5.103916      4.828348
  C      -1.169415     -6.402914      4.663053
  C      -2.145799     -7.423870      4.089154
  H      -0.772659     -6.795476      5.615327
  H      -0.296842     -6.313286      3.989073
  H      -2.694073     -7.917095      4.898049
  H      -1.618808     -8.191316      3.497344
  H      -6.432596     -7.630474      3.112814
  H      -5.593015     -7.632177      4.667617
  H      -4.478228     -7.608844      1.833195
  H      -4.021509     -8.690500      3.163823
  H      -2.899451     -4.638616      0.569029
  H      -4.387535     -5.407428      1.205850
  H      -1.517663     -5.969812      2.142799
  H      -2.541674     -7.104030      1.232257
  C      -2.986033     -2.772115      2.360994
  C      -4.087411     -1.880963      1.697451
  C      -3.995220     -0.437031      2.048249
  S      -3.936446      0.836129      1.025762
  C      -3.854024      0.043932      3.461780
  O      -2.930585     -0.274006      4.216143
  C      -1.638687     -2.657161      1.659628
  C      -1.395506     -1.798983      0.584284
  C      -0.127766     -1.742560     -0.007195
  C       0.917946     -2.539941      0.456905
  C       0.654009     -3.390251      1.523536
  F       1.650025     -4.195670      1.983606
  C      -0.587323     -3.456465      2.141208
  C      -6.876215     -5.134144      4.034050
  C      -7.147695     -3.884851      3.149319
  C      -6.982000     -2.556845      3.844836
  S      -8.053942     -1.280577      3.646554
  C      -5.842729     -2.370339      4.647502
  O      -4.889131     -3.249146      4.725125
  C      -8.037130     -6.109113      3.979811
  C      -8.502284     -6.684326      5.168365
  C      -9.557749     -7.599340      5.148662
  C     -10.161399     -7.961653      3.943829
  C      -9.683260     -7.380234      2.773448
  F     -10.258117     -7.720109      1.590440
  C      -8.640756     -6.463529      2.764333
  C      -1.455503     -4.312878      5.999297
  C      -2.311645     -4.741608      7.215987
  C      -3.752527     -4.876928      6.796462
  S      -4.307931     -6.416128      6.253885
  C      -4.712791     -3.933541      7.384579
  O      -5.932986     -4.018499      7.362746
  C       0.040777     -4.269711      6.318773
  C       1.017304     -4.349415      5.312895
  C       2.375534     -4.228436      5.616030
  C       2.797780     -4.016235      6.927589
  C       1.821265     -3.930820      7.913383
  F       2.199368     -3.727637      9.196228
  C       0.463158     -4.049250      7.640099
  H      -2.880019     -2.359592      3.370356
  H      -5.044130     -2.231657      2.109123
  H      -4.126374     -2.008648      0.606417
  H      -4.570233      0.839615      3.751678
  H      -2.190079     -1.168923      0.185822
  H       0.043669     -1.069686     -0.848293
  H       1.908992     -2.520460      0.004205
  H      -0.790123     -4.177021      2.924231
  H      -6.806515     -4.819908      5.090610
  H      -6.465216     -3.929012      2.282905
  H      -8.163811     -3.918533      2.740394
  H      -5.713536     -1.454526      5.235540
  H      -8.034161     -6.404851      6.113948
  H      -9.919272     -8.033194      6.081928
  H     -10.988441     -8.670415      3.902024
  H      -8.311465     -6.041521      1.813573
  H      -2.192589     -2.454909      6.519917
  H      -1.923583     -5.703102      7.580801
  H      -2.222235     -4.017910      8.042034
  H      -4.223400     -3.058122      7.892655
  H       0.731853     -4.530235      4.279833
  H       3.114650     -4.306197      4.818187
  H       3.851589     -3.922956      7.189648
  H      -0.234640     -3.979982      8.472901
  N      -2.009078     -2.925297      5.676108
  N      -1.101183     -2.055907      4.968001
  H      -0.302899     -1.742173      5.543986
  H      -0.730842     -2.558097      4.135905
  H      -1.674442     -1.240507      4.618280
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.079847703254
  N      -3.396636     -4.118231      2.583634
  C      -3.337822     -5.047030      1.480472
  C      -2.531322     -6.238462      1.963239
  N      -3.142356     -6.715362      3.241842
  C      -4.288164     -7.634052      2.919871
  C      -5.541452     -7.199665      3.652322
  N      -5.564250     -5.754624      3.663653
  Mo     -3.875329     -4.851858      4.401239
  N      -1.821384     -5.095689      4.856886
  C      -1.158883     -6.388374      4.676522
  C      -2.129216     -7.404030      4.087185
  H      -0.771182     -6.793532      5.627724
  H      -0.278480     -6.287311      4.013007
  H      -2.677496     -7.905851      4.890512
  H      -1.599123     -8.165486      3.489979
  H      -6.418327     -7.612194      3.132308
  H      -5.570282     -7.613656      4.682984
  H      -4.468783     -7.582119      1.839309
  H      -4.001648     -8.666260      3.164418
  H      -2.875134     -4.602162      0.587113
  H      -4.362092     -5.381618      1.216061
  H      -1.496209     -5.938370      2.158460
  H      -2.519636     -7.064418      1.235484
  C      -2.981363     -2.748679      2.361718
  C      -4.102194     -1.895396      1.660315
  C      -4.098070     -0.424717      1.916684
  S      -4.105246      0.765732      0.796663
  C      -4.054727      0.196067      3.279195
  O      -3.149275      0.029034      4.099529
  C      -1.629371     -2.645992      1.654758
  C      -1.379937     -1.797623      0.571533
  C      -0.112800     -1.758763     -0.024906
  C       0.927603     -2.568394      0.435994
  C       0.658910     -3.413906      1.505052
  F       1.643185     -4.238381      1.959030
  C      -0.578867     -3.459637      2.129943
  C      -6.866587     -5.116175      4.050468
  C      -7.139735     -3.865977      3.169471
  C      -6.975778     -2.539875      3.868831
  S      -8.046272     -1.262202      3.670529
  C      -5.836726     -2.356006      4.673560
  O      -4.882249     -3.234160      4.748699
  C      -8.024482     -6.094018      3.989382
  C      -8.491072     -6.676963      5.173501
  C      -9.543068     -7.595914      5.145609
  C     -10.141412     -7.954389      3.936890
  C      -9.661702     -7.365254      2.771066
  F     -10.231181     -7.701200      1.584386
  C      -8.622834     -6.444578      2.770206
  C      -1.459152     -4.348539      6.065011
  C      -2.315961     -4.821577      7.263012
  C      -3.753099     -4.914346      6.827141
  S      -4.312569     -6.431220      6.240827
  C      -4.708614     -3.976151      7.433206
  O      -5.929027     -4.045386      7.394461
  C       0.038761     -4.314212      6.373185
  C       0.994631     -4.330163      5.343878
  C       2.356704     -4.218129      5.622780
  C       2.805034     -4.079601      6.935931
  C       1.849004     -4.057835      7.946738
  F       2.254275     -3.926369      9.230568
  C       0.485110     -4.168536      7.696701
  H      -2.875053     -2.320902      3.363648
  H      -5.055593     -2.259204      2.066492
  H      -4.117607     -2.074911      0.576057
  H      -4.842983      0.954151      3.462183
  H      -2.164869     -1.160905      0.168251
  H       0.060959     -1.092057     -0.870491
  H       1.915158     -2.564100     -0.024440
  H      -0.782788     -4.190842      2.922651
  H      -6.798719     -4.805109      5.108269
  H      -6.456773     -3.906476      2.303455
  H      -8.155494     -3.900900      2.759786
  H      -5.709795     -1.442627      5.266068
  H      -8.026528     -6.401130      6.122009
  H      -9.905932     -8.036036      6.075367
  H     -10.965423     -8.666282      3.888898
  H      -8.291702     -6.016489      1.822786
  H      -2.244999     -2.525185      6.769603
  H      -1.942130     -5.800083      7.596402
  H      -2.221224     -4.128759      8.114412
  H      -4.215347     -3.120779      7.970200
  H       0.684674     -4.453305      4.309207
  H       3.078605     -4.244560      4.804878
  H       3.863810     -3.994660      7.180278
  H      -0.195697     -4.151935      8.545764
  N      -1.962095     -2.888227      5.672854
  N      -1.050664     -2.039580      4.937693
  H      -0.245174     -1.715593      5.497319
  H      -0.691148     -2.551956      4.105289
  H      -1.616756     -1.219553      4.577169
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.096495458029
  N      -3.385180     -4.133709      2.601875
  C      -3.333125     -5.046752      1.484471
  C      -2.532763     -6.252008      1.946802
  N      -3.147139     -6.739129      3.221072
  C      -4.304023     -7.639042      2.881368
  C      -5.553696     -7.204318      3.615632
  N      -5.559964     -5.759179      3.660402
  Mo     -3.856882     -4.889431      4.409418
  N      -1.800436     -5.140462      4.833780
  C      -1.150784     -6.439161      4.642507
  C      -2.135374     -7.445703      4.055119
  H      -0.751313     -6.850101      5.585516
  H      -0.281504     -6.340793      3.965349
  H      -2.682714     -7.951604      4.857084
  H      -1.615095     -8.204216      3.446258
  H      -6.433910     -7.595577      3.084899
  H      -5.591607     -7.640204      4.636345
  H      -4.480660     -7.564341      1.801560
  H      -4.032161     -8.679683      3.106779
  H      -2.870610     -4.590932      0.594945
  H      -4.360203     -5.368723      1.218848
  H      -1.495010     -5.960942      2.143438
  H      -2.527733     -7.069316      1.209501
  C      -2.972229     -2.763531      2.398178
  C      -4.109808     -1.940643      1.684646
  C      -4.178887     -0.465701      1.921253
  S      -4.226348      0.707391      0.785376
  C      -4.238376      0.181915      3.272699
  O      -3.374142      0.082758      4.144603
  C      -1.608087     -2.663332      1.707158
  C      -1.343207     -1.803714      0.635915
  C      -0.074270     -1.769923      0.045628
  C       0.951183     -2.599228      0.496876
  C       0.666559     -3.460677      1.549509
  F       1.638259     -4.309620      1.983661
  C      -0.572276     -3.503400      2.175640
  C      -6.854035     -5.111740      4.065383
  C      -7.109882     -3.839743      3.207391
  C      -6.925229     -2.529203      3.931027
  S      -7.978822     -1.233931      3.761773
  C      -5.782202     -2.376232      4.735428
  O      -4.840348     -3.268151      4.788739
  C      -8.027710     -6.070193      3.993450
  C      -8.496702     -6.664867      5.171071
  C      -9.563346     -7.566229      5.135045
  C     -10.174885     -7.895184      3.924492
  C      -9.693111     -7.294550      2.765427
  F     -10.275449     -7.601798      1.577155
  C      -8.639368     -6.390664      2.772740
  C      -1.441601     -4.351119      6.006657
  C      -2.301655     -4.782482      7.218278
  C      -3.737957     -4.927107      6.785696
  S      -4.283244     -6.468407      6.245790
  C      -4.710653     -3.977731      7.341238
  O      -5.930246     -4.059120      7.282091
  C       0.054269     -4.275669      6.325004
  C       1.026717     -4.328027      5.314335
  C       2.382668     -4.174441      5.608690
  C       2.807896     -3.958541      6.918624
  C       1.835515     -3.901754      7.911037
  F       2.216314     -3.694226      9.192342
  C       0.478663     -4.051360      7.645248
  H      -2.885051     -2.340185      3.403368
  H      -5.056786     -2.341649      2.080583
  H      -4.104258     -2.131446      0.603060
  H      -5.083107      0.888522      3.403394
  H      -2.120439     -1.152899      0.241242
  H       0.112440     -1.092974     -0.789028
  H       1.940192     -2.601719      0.038953
  H      -0.789716     -4.251680      2.956860
  H      -6.778896     -4.821058      5.128254
  H      -6.428824     -3.872166      2.338873
  H      -8.127057     -3.850904      2.799608
  H      -5.639474     -1.476493      5.344963
  H      -8.022201     -6.411615      6.120923
  H      -9.927532     -8.015598      6.059890
  H     -11.010677     -8.592732      3.870079
  H      -8.307611     -5.952605      1.830145
  H      -2.238651     -2.478076      6.565242
  H      -1.908797     -5.737991      7.592569
  H      -2.225232     -4.051883      8.039983
  H      -4.233777     -3.089789      7.838599
  H       0.739257     -4.510860      4.283090
  H       3.118052     -4.228713      4.804661
  H       3.860701     -3.840276      7.174401
  H      -0.215279     -4.001497      8.482494
  N      -1.918692     -3.012981      5.750287
  N      -0.986056     -2.159063      5.036379
  H      -0.171280     -1.871819      5.604523
  H      -0.645210     -2.653693      4.188707
  H      -1.534765     -1.318436      4.707458
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.099956948821
  N      -3.413428     -4.134710      2.577832
  C      -3.347881     -5.074120      1.480736
  C      -2.536167     -6.263865      1.976419
  N      -3.150214     -6.729384      3.258934
  C      -4.290493     -7.649856      2.931529
  C      -5.545326     -7.213770      3.644459
  N      -5.562964     -5.769309      3.651536
  Mo     -3.882854     -4.850447      4.401155
  N      -1.813200     -5.092151      4.848749
  C      -1.170810     -6.398055      4.688379
  C      -2.145425     -7.415001      4.114860
  H      -0.777354     -6.788764      5.642702
  H      -0.297478     -6.316380      4.014902
  H      -2.698193     -7.907443      4.921417
  H      -1.617409     -8.183518      3.525619
  H      -6.416966     -7.626667      3.115928
  H      -5.587470     -7.624421      4.675441
  H      -4.459796     -7.601075      1.848929
  H      -4.008436     -8.681944      3.182135
  H      -2.886064     -4.635868      0.582683
  H      -4.370733     -5.412497      1.218138
  H      -1.502657     -5.959378      2.170831
  H      -2.520613     -7.097637      1.257546
  C      -3.017400     -2.757798      2.361030
  C      -4.135265     -1.918242      1.672038
  C      -4.071760     -0.475261      2.015700
  S      -4.044722      0.800586      0.994078
  C      -3.990859     -0.004471      3.436600
  O      -3.087092     -0.327779      4.209894
  C      -1.664039     -2.627742      1.671807
  C      -1.408874     -1.767049      0.600743
  C      -0.134183     -1.709308      0.024565
  C       0.905739     -2.509936      0.494843
  C       0.628754     -3.366710      1.553783
  F       1.614249     -4.182285      2.017560
  C      -0.620253     -3.431874      2.156412
  C      -6.869626     -5.127765      4.024677
  C      -7.131721     -3.882293      3.130224
  C      -6.971592     -2.548242      3.816195
  S      -8.039580     -1.272930      3.592899
  C      -5.842063     -2.353074      4.630038
  O      -4.888256     -3.228491      4.723980
  C      -8.031589     -6.101427      3.963166
  C      -8.509068     -6.671068      5.149465
  C      -9.565184     -7.585217      5.123277
  C     -10.157345     -7.952108      3.914197
  C      -9.667280     -7.375923      2.746073
  F     -10.230893     -7.720330      1.558936
  C      -8.623903     -6.460162      2.743322
  C      -1.413891     -4.308446      6.008495
  C      -2.286424     -4.711523      7.224530
  C      -3.734836     -4.830454      6.804693
  S      -4.302403     -6.377795      6.280451
  C      -4.685317     -3.868241      7.377487
  O      -5.906448     -3.934955      7.346400
  C       0.087699     -4.307725      6.324018
  C       1.055057     -4.419476      5.312803
  C       2.418282     -4.332758      5.604188
  C       2.855843     -4.127884      6.911830
  C       1.889094     -4.013802      7.904177
  F       2.282060     -3.816144      9.183151
  C       0.525747     -4.096101      7.641434
  H      -2.933234     -2.327832      3.367569
  H      -5.090452     -2.292808      2.073531
  H      -4.162723     -2.059860      0.582680
  H      -4.752111      0.750049      3.725720
  H      -2.197504     -1.135200      0.193935
  H       0.046852     -1.033755     -0.812421
  H       1.900610     -2.490256      0.050236
  H      -0.830093     -4.162328      2.939498
  H      -6.810335     -4.809051      5.080304
  H      -6.441646     -3.932945      2.269878
  H      -8.144292     -3.917969      2.712457
  H      -5.720681     -1.432083      5.211237
  H      -8.049767     -6.388376      6.098407
  H      -9.936206     -8.014776      6.054825
  H     -10.984547     -8.660357      3.867256
  H      -8.284823     -6.042513      1.794107
  H      -2.100741     -2.365686      6.545570
  H      -1.919496     -5.680024      7.591437
  H      -2.181132     -3.987469      8.049166
  H      -4.186672     -2.987977      7.868353
  H       0.757177     -4.598034      4.283330
  H       3.147689     -4.431970      4.799476
  H       3.913594     -4.061591      7.165932
  H      -0.163721     -4.004434      8.479075
  N      -2.047891     -2.890740      5.686745
  N      -1.135591     -2.030231      4.970582
  H      -0.336311     -1.705220      5.542440
  H      -0.765672     -2.535237      4.139485
  H      -1.695658     -1.220643      4.616993
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.102214511014
  N      -3.409530     -4.142003      2.575549
  C      -3.358781     -5.070291      1.468738
  C      -2.552873     -6.268873      1.951495
  N      -3.162172     -6.743458      3.231964
  C      -4.309110     -7.656769      2.903767
  C      -5.560287     -7.221811      3.630022
  N      -5.575274     -5.777022      3.648037
  Mo     -3.884619     -4.875426      4.391828
  N      -1.828566     -5.117656      4.836814
  C      -1.175873     -6.418576      4.667745
  C      -2.151756     -7.433508      4.081256
  H      -0.788748     -6.818705      5.620906
  H      -0.297967     -6.327980      4.001362
  H      -2.702795     -7.933199      4.884477
  H      -1.623523     -8.197046      3.485563
  H      -6.436747     -7.628459      3.104710
  H      -5.595920     -7.640240      4.658465
  H      -4.485115     -7.598862      1.822616
  H      -4.029252     -8.691846      3.144205
  H      -2.895052     -4.628198      0.574032
  H      -4.385541     -5.397123      1.205763
  H      -1.517783     -5.969973      2.145288
  H      -2.542885     -7.096354      1.225271
  C      -2.986134     -2.769835      2.366895
  C      -4.084742     -1.887075      1.701336
  C      -3.964824     -0.450390      2.059061
  S      -3.911037      0.833289      1.047902
  C      -3.803714     -0.001151      3.480150
  O      -2.873313     -0.362926      4.203391
  C      -1.639088     -2.659903      1.662882
  C      -1.382137     -1.792220      0.597814
  C      -0.115139     -1.752790      0.003633
  C       0.917399     -2.576538      0.450770
  C       0.640996     -3.436873      1.506824
  F       1.619419     -4.270122      1.953220
  C      -0.601482     -3.486457      2.124352
  C      -6.876124     -5.133381      4.035629
  C      -7.142203     -3.882928      3.150458
  C      -6.968938     -2.554418      3.842641
  S      -8.032607     -1.272377      3.636692
  C      -5.833806     -2.371649      4.651876
  O      -4.883049     -3.251830      4.735054
  C      -8.042040     -6.102544      3.978945
  C      -8.513040     -6.675400      5.166146
  C      -9.573418     -7.584792      5.143875
  C     -10.176315     -7.943609      3.937748
  C      -9.692580     -7.364214      2.768523
  F     -10.266596     -7.700849      1.584163
  C      -8.645306     -6.453031      2.761993
  C      -1.472840     -4.332243      6.010866
  C      -2.323667     -4.773146      7.226633
  C      -3.766667     -4.903801      6.809601
  S      -4.314676     -6.438108      6.244782
  C      -4.728424     -3.969628      7.409692
  O      -5.948369     -4.055308      7.386231
  C       0.022503     -4.245687      6.323192
  C       0.990770     -4.272779      5.306605
  C       2.346743     -4.108245      5.597182
  C       2.774977     -3.907936      6.908917
  C       1.806572     -3.876635      7.905900
  F       2.191175     -3.684078      9.188190
  C       0.450022     -4.036105      7.644208
  H      -2.879100     -2.351326      3.375599
  H      -5.044582     -2.231513      2.115174
  H      -4.133186     -2.014669      0.610644
  H      -4.520602      0.779194      3.810611
  H      -2.163791     -1.140738      0.208378
  H       0.066046     -1.071949     -0.829026
  H       1.906159     -2.568805     -0.007490
  H      -0.810903     -4.214201      2.906971
  H      -6.806221     -4.820139      5.092312
  H      -6.461506     -3.933427      2.282797
  H      -8.159073     -3.911784      2.742798
  H      -5.706534     -1.456500      5.240746
  H      -8.045572     -6.398911      6.112930
  H      -9.939301     -8.016839      6.076301
  H     -11.007021     -8.647941      3.893906
  H      -8.311607     -6.032387      1.812194
  H      -2.264029     -2.497492      6.565300
  H      -1.933256     -5.736887      7.582769
  H      -2.233142     -4.055491      8.058380
  H      -4.239799     -3.097949      7.924667
  H       0.700132     -4.442976      4.273391
  H       3.077657     -4.141347      4.788483
  H       3.827437     -3.781754      7.162437
  H      -0.241596     -4.005538      8.484592
  N      -1.946657     -2.923962      5.695140
  N      -1.035744     -2.080388      4.950914
  H      -0.218339     -1.768279      5.502443
  H      -0.692753     -2.592045      4.111454
  H      -1.587897     -1.260647      4.609162
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.095583778610
  N      -3.385131     -4.123487      2.602056
  C      -3.331312     -5.039695      1.487844
  C      -2.527191     -6.240971      1.953163
  N      -3.140131     -6.729472      3.226080
  C      -4.294827     -7.632689      2.886651
  C      -5.546053     -7.200746      3.624192
  N      -5.557534     -5.755468      3.664705
  Mo     -3.857150     -4.880304      4.412045
  N      -1.804059     -5.125876      4.844724
  C      -1.147674     -6.422785      4.657544
  C      -2.128123     -7.432020      4.062624
  H      -0.758805     -6.835343      5.604510
  H      -0.269875     -6.321345      3.991686
  H      -2.676650     -7.940265      4.862257
  H      -1.603536     -8.188959      3.455346
  H      -6.426129     -7.595675      3.095926
  H      -5.580194     -7.634479      4.646512
  H      -4.473031     -7.559229      1.806914
  H      -4.019667     -8.672441      3.112217
  H      -2.869369     -4.585812      0.597543
  H      -4.357600     -5.365386      1.222253
  H      -1.491028     -5.945879      2.150930
  H      -2.518225     -7.058851      1.216524
  C      -2.976719     -2.751108      2.380493
  C      -4.114736     -1.931447      1.655869
  C      -4.206554     -0.446862      1.847933
  S      -4.273672      0.679173      0.665949
  C      -4.242944      0.259877      3.170775
  O      -3.349613      0.219391      4.015604
  C      -1.614537     -2.647100      1.688938
  C      -1.349762     -1.779666      0.623461
  C      -0.078507     -1.735733      0.039224
  C       0.952462     -2.558373      0.491563
  C       0.670186     -3.426185      1.539508
  F       1.646420     -4.266286      1.979567
  C      -0.574282     -3.483760      2.153581
  C      -6.853734     -5.111556      4.065908
  C      -7.116650     -3.847294      3.199823
  C      -6.934282     -2.532245      3.914099
  S      -7.990717     -1.240230      3.735359
  C      -5.794441     -2.372478      4.722231
  O      -4.848593     -3.259819      4.785181
  C      -8.023299     -6.075271      4.000433
  C      -8.492096     -6.661645      5.182071
  C      -9.556122     -7.566471      5.152013
  C     -10.164925     -7.907171      3.943449
  C      -9.683274     -7.314565      2.780102
  F     -10.262898     -7.633548      1.593625
  C      -8.632416     -6.407484      2.781441
  C      -1.448108     -4.354673      6.034556
  C      -2.303739     -4.799926      7.242044
  C      -3.737575     -4.930720      6.810600
  S      -4.285200     -6.461156      6.247943
  C      -4.705978     -3.995884      7.396993
  O      -5.925777     -4.081873      7.355461
  C       0.046786     -4.306714      6.352027
  C       1.013921     -4.346624      5.335419
  C       2.372563     -4.216873      5.626837
  C       2.805670     -4.040801      6.940449
  C       1.838261     -3.998434      7.938889
  F       2.227485     -3.829831      9.223384
  C       0.478351     -4.123668      7.675953
  H      -2.885534     -2.316864      3.379587
  H      -5.059292     -2.326031      2.060216
  H      -4.105892     -2.143353      0.577762
  H      -5.095850      0.958022      3.291297
  H      -2.127297     -1.128315      0.229620
  H       0.107195     -1.052502     -0.790578
  H       1.943606     -2.548228      0.038527
  H      -0.788636     -4.230069      2.932374
  H      -6.779200     -4.813518      5.126814
  H      -6.438656     -3.886299      2.329396
  H      -8.134850     -3.864674      2.794963
  H      -5.659016     -1.469602      5.328458
  H      -8.019898     -6.399236      6.130596
  H      -9.920241     -8.009169      6.080088
  H     -10.998581     -8.607604      3.893577
  H      -8.300698     -5.975867      1.835863
  H      -2.210829     -2.493971      6.631990
  H      -1.916313     -5.764875      7.598464
  H      -2.219032     -4.086227      8.077183
  H      -4.224631     -3.122309      7.914467
  H       0.718796     -4.500450      4.301009
  H       3.102687     -4.258620      4.817267
  H       3.860927     -3.942199      7.194568
  H      -0.212056     -4.086851      8.516848
  N      -1.911942     -2.998441      5.733940
  N      -0.989240     -2.142586      5.012610
  H      -0.167907     -1.853966      5.569319
  H      -0.652083     -2.636489      4.162462
  H      -1.539843     -1.305274      4.686136
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.104042538138
  N      -3.397924     -4.131984      2.592042
  C      -3.336630     -5.059950      1.486326
  C      -2.530550     -6.256690      1.967117
  N      -3.146909     -6.733881      3.243194
  C      -4.295551     -7.642989      2.907199
  C      -5.547294     -7.207590      3.633050
  N      -5.559634     -5.762568      3.656332
  Mo     -3.870083     -4.867964      4.408908
  N      -1.807538     -5.117094      4.847702
  C      -1.164316     -6.422666      4.679748
  C      -2.142903     -7.431709      4.091155
  H      -0.781083     -6.824838      5.633484
  H      -0.284269     -6.337032      4.015472
  H      -2.696993     -7.932327      4.891757
  H      -1.616795     -8.194919      3.493220
  H      -6.424142     -7.610354      3.105394
  H      -5.584711     -7.629441      4.659957
  H      -4.468974     -7.579545      1.826065
  H      -4.018952     -8.679924      3.143643
  H      -2.873561     -4.614003      0.592647
  H      -4.360903     -5.392066      1.220712
  H      -1.495315     -5.959523      2.165192
  H      -2.518736     -7.081521      1.238068
  C      -3.002302     -2.755895      2.371269
  C      -4.131091     -1.935284      1.655186
  C      -4.168405     -0.466001      1.915770
  S      -4.204993      0.728692      0.801161
  C      -4.147807      0.138288      3.288233
  O      -3.241568     -0.032089      4.103239
  C      -1.641571     -2.632611      1.688168
  C      -1.374117     -1.754966      0.632846
  C      -0.098264     -1.700805      0.059381
  C       0.932805     -2.521996      0.514143
  C       0.646192     -3.396984      1.555245
  F       1.622310     -4.233419      2.001076
  C      -0.604151     -3.462777      2.155966
  C      -6.860474     -5.118492      4.043966
  C      -7.122937     -3.865069      3.161283
  C      -6.946355     -2.537970      3.855736
  S      -8.002339     -1.250314      3.645615
  C      -5.813928     -2.360985      4.670400
  O      -4.866119     -3.243786      4.755607
  C      -8.027053     -6.086421      3.983374
  C      -8.501116     -6.659747      5.169242
  C      -9.562542     -7.567814      5.144058
  C     -10.163335     -7.924903      3.936303
  C      -9.676476     -7.345175      2.768574
  F     -10.248347     -7.680309      1.582768
  C      -8.628165     -6.435160      2.764916
  C      -1.424675     -4.335694      6.018579
  C      -2.292224     -4.751713      7.229768
  C      -3.733840     -4.874203      6.800759
  S      -4.295827     -6.416501      6.267134
  C      -4.692742     -3.917863      7.368913
  O      -5.913264     -3.989062      7.324585
  C       0.074741     -4.310685      6.334998
  C       1.042704     -4.368475      5.319610
  C       2.403601     -4.258831      5.612450
  C       2.838045     -4.085182      6.925726
  C       1.870481     -4.024070      7.922223
  F       2.260935     -3.857071      9.206468
  C       0.509044     -4.128969      7.658156
  H      -2.921166     -2.321163      3.374005
  H      -5.081761     -2.326882      2.050132
  H      -4.128402     -2.115849      0.571175
  H      -4.970525      0.854456      3.492133
  H      -2.153216     -1.105925      0.236519
  H       0.090769     -1.011292     -0.764422
  H       1.927559     -2.503984      0.069300
  H      -0.822338     -4.207245      2.928974
  H      -6.792519     -4.808404      5.101712
  H      -6.442501     -3.915577      2.293293
  H      -8.139851     -3.890480      2.753463
  H      -5.686119     -1.447153      5.261812
  H      -8.035085     -6.384726      6.117210
  H      -9.930832     -8.000174      6.075372
  H     -10.994739     -8.628263      3.890133
  H      -8.292155     -6.014058      1.816122
  H      -2.128667     -2.442285      6.590585
  H      -1.920840     -5.719402      7.595069
  H      -2.193992     -4.030623      8.057455
  H      -4.201909     -3.037437      7.866242
  H       0.746537     -4.521085      4.285282
  H       3.134070     -4.314811      4.804440
  H       3.894384     -4.002198      7.180879
  H      -0.181249     -4.078373      8.498412
  N      -1.968019     -2.945247      5.719348
  N      -1.047164     -2.098920      4.993777
  H      -0.226244     -1.802169      5.549002
  H      -0.707491     -2.598995      4.146847
  H      -1.594251     -1.268624      4.662275
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.105064819221
  N      -3.404578     -4.144544      2.571569
  C      -3.342433     -5.080693      1.471875
  C      -2.534594     -6.273465      1.967286
  N      -3.149922     -6.741883      3.247211
  C      -4.294403     -7.657475      2.917990
  C      -5.547124     -7.220566      3.638464
  N      -5.564629     -5.775454      3.645273
  Mo     -3.880257     -4.865355      4.392216
  N      -1.822003     -5.105043      4.844158
  C      -1.173910     -6.409972      4.695212
  C      -2.144972     -7.427068      4.105987
  H      -0.801614     -6.802405      5.657577
  H      -0.286114     -6.328076      4.040784
  H      -2.700805     -7.924989      4.906992
  H      -1.611891     -8.192264      3.516805
  H      -6.421978     -7.633031      3.115167
  H      -5.582800     -7.631122      4.669972
  H      -4.467043     -7.603411      1.836186
  H      -4.014571     -8.691527      3.163057
  H      -2.876226     -4.643129      0.575999
  H      -4.365955     -5.414793      1.205792
  H      -1.501035     -5.971727      2.165264
  H      -2.518179     -7.104923      1.245720
  C      -3.007098     -2.767271      2.356640
  C      -4.119585     -1.909408      1.684395
  C      -4.048014     -0.473994      2.060417
  S      -4.050930      0.823674      1.066266
  C      -3.898498     -0.039570      3.487438
  O      -2.941326     -0.365920      4.191978
  C      -1.657190     -2.631219      1.661925
  C      -1.399272     -1.736653      0.619295
  C      -0.125418     -1.666416      0.043223
  C       0.914001     -2.483008      0.487366
  C       0.637173     -3.369432      1.521447
  F       1.623323     -4.193763      1.967126
  C      -0.614241     -3.453981      2.117412
  C      -6.868012     -5.130973      4.024960
  C      -7.135626     -3.891716      3.123995
  C      -6.959358     -2.552721      3.795127
  S      -8.014126     -1.268631      3.557556
  C      -5.830914     -2.359745      4.611299
  O      -4.881252     -3.238170      4.716345
  C      -8.031773     -6.103334      3.978930
  C      -8.505889     -6.658498      5.173255
  C      -9.565083     -7.569532      5.161588
  C     -10.163514     -7.947715      3.959205
  C      -9.676722     -7.385704      2.782739
  F     -10.246298     -7.741664      1.601885
  C      -8.630754     -6.473193      2.765514
  C      -1.452272     -4.308301      6.007845
  C      -2.326905     -4.708485      7.222111
  C      -3.765589     -4.845542      6.786629
  S      -4.311358     -6.397833      6.262658
  C      -4.734323     -3.895360      7.349448
  O      -5.953897     -3.982677      7.313794
  C       0.044767     -4.283399      6.329521
  C       1.012378     -4.382399      5.317128
  C       2.374260     -4.277379      5.607423
  C       2.809378     -4.070084      6.915745
  C       1.842074     -3.973936      7.909652
  F       2.233854     -3.777516      9.189212
  C       0.479634     -4.073737      7.647978
  H      -2.913319     -2.342997      3.364827
  H      -5.076823     -2.283072      2.080847
  H      -4.149516     -2.026972      0.591938
  H      -4.627243      0.727565      3.822978
  H      -2.184530     -1.087983      0.233454
  H       0.056366     -0.965486     -0.772506
  H       1.908530     -2.449148      0.042980
  H      -0.824023     -4.196133      2.887343
  H      -6.800476     -4.805433      5.077964
  H      -6.458646     -3.956410      2.254135
  H      -8.154078     -3.925269      2.720425
  H      -5.708252     -1.435500      5.187256
  H      -8.041715     -6.367126      6.117209
  H      -9.933317     -7.987676      6.099411
  H     -10.993063     -8.653869      3.923466
  H      -8.294748     -6.066487      1.810456
  H      -2.154453     -2.398988      6.519334
  H      -1.952028     -5.667094      7.607431
  H      -2.240222     -3.972173      8.037767
  H      -4.251721     -3.011258      7.848545
  H       0.714825     -4.569196      4.288290
  H       3.104003     -4.365388      4.801641
  H       3.866306     -3.990454      7.169545
  H      -0.210719     -3.995650      8.486078
  N      -1.971777     -2.912437      5.671214
  N      -1.062567     -2.071376      4.929871
  H      -0.235286     -1.770110      5.474075
  H      -0.727589     -2.578330      4.084199
  H      -1.609132     -1.245209      4.594618
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.106633058807
  N      -3.393266     -4.145084      2.581223
  C      -3.330196     -5.076892      1.478794
  C      -2.529788     -6.274629      1.969065
  N      -3.149650     -6.744904      3.245706
  C      -4.299329     -7.653766      2.912964
  C      -5.550661     -7.213729      3.637030
  N      -5.562145     -5.768429      3.650288
  Mo     -3.872841     -4.871553      4.399256
  N      -1.814704     -5.118268      4.841526
  C      -1.170403     -6.425111      4.689121
  C      -2.147169     -7.437385      4.100555
  H      -0.798620     -6.821012      5.650185
  H      -0.282887     -6.346117      4.034078
  H      -2.703669     -7.934253      4.901826
  H      -1.618909     -8.203675      3.508447
  H      -6.427904     -7.619816      3.112719
  H      -5.587068     -7.628589      4.666849
  H      -4.472512     -7.594410      1.831541
  H      -4.024022     -8.690062      3.153678
  H      -2.860375     -4.636410      0.586041
  H      -4.354144     -5.406679      1.208437
  H      -1.494104     -5.980924      2.169074
  H      -2.518149     -7.102516      1.243400
  C      -3.005325     -2.766512      2.360371
  C      -4.123850     -1.936141      1.651911
  C      -4.132037     -0.482030      1.976504
  S      -4.184387      0.766159      0.922898
  C      -4.061423      0.040775      3.380495
  O      -3.131597     -0.201927      4.151067
  C      -1.645468     -2.631438      1.681025
  C      -1.374326     -1.724523      0.651986
  C      -0.095937     -1.653417      0.086427
  C       0.934657     -2.483845      0.525378
  C       0.644742     -3.384806      1.543062
  F       1.621717     -4.226220      1.976996
  C      -0.609817     -3.470360      2.132886
  C      -6.862137     -5.118923      4.032673
  C      -7.124685     -3.876420      3.135042
  C      -6.939827     -2.539827      3.808631
  S      -7.983731     -1.247060      3.570148
  C      -5.810590     -2.356331      4.626363
  O      -4.866364     -3.240699      4.730653
  C      -8.029880     -6.086189      3.985225
  C      -8.505191     -6.641991      5.178824
  C      -9.568118     -7.548633      5.166110
  C     -10.169110     -7.921722      3.963361
  C      -9.681048     -7.359177      2.787707
  F     -10.253005     -7.710323      1.606580
  C      -8.631380     -6.450905      2.771547
  C      -1.440560     -4.325771      6.008876
  C      -2.309187     -4.734559      7.223285
  C      -3.749632     -4.866463      6.794311
  S      -4.304827     -6.411856      6.263496
  C      -4.712726     -3.919092      7.372171
  O      -5.932678     -4.001951      7.340255
  C       0.057224     -4.295084      6.326539
  C       1.023996     -4.347493      5.309525
  C       2.384789     -4.234259      5.601182
  C       2.819686     -4.062894      6.914767
  C       1.853090     -4.008159      7.912556
  F       2.244627     -3.844619      9.196914
  C       0.491639     -4.116834      7.649772
  H      -2.927894     -2.331821      3.364306
  H      -5.080143     -2.331388      2.028630
  H      -4.118407     -2.079937      0.562231
  H      -4.866344      0.753445      3.656011
  H      -2.152568     -1.066523      0.268432
  H       0.095671     -0.942398     -0.718273
  H       1.931795     -2.451614      0.086788
  H      -0.831091     -4.225985      2.891448
  H      -6.792448     -4.796594      5.086529
  H      -6.449863     -3.942831      2.263669
  H      -8.144014     -3.903653      2.733210
  H      -5.683992     -1.435225      5.206560
  H      -8.038848     -6.354664      6.122968
  H      -9.937262     -7.967306      6.103326
  H     -11.001532     -8.624447      3.926834
  H      -8.294598     -6.043440      1.817074
  H      -2.149292     -2.425081      6.559446
  H      -1.931558     -5.694569      7.602219
  H      -2.219057     -4.002592      8.042441
  H      -4.225310     -3.035339      7.866655
  H       0.726161     -4.500128      4.275359
  H       3.114752     -4.286359      4.792484
  H       3.876017     -3.977420      7.169172
  H      -0.198339     -4.071817      8.490727
  N      -1.949190     -2.932788      5.690937
  N      -1.030240     -2.101753      4.946910
  H      -0.192100     -1.821068      5.484935
  H      -0.714352     -2.605923      4.092004
  H      -1.567407     -1.262826      4.625464
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.106739389552
  N      -3.403984     -4.149425      2.581147
  C      -3.340651     -5.080110      1.478425
  C      -2.539569     -6.278102      1.967379
  N      -3.155409     -6.748208      3.245248
  C      -4.302616     -7.660306      2.914207
  C      -5.552979     -7.222540      3.640441
  N      -5.567801     -5.777205      3.649027
  Mo     -3.882682     -4.875009      4.399938
  N      -1.823459     -5.114944      4.837149
  C      -1.177447     -6.421938      4.691951
  C      -2.150652     -7.437011      4.100395
  H      -0.812525     -6.815135      5.656845
  H      -0.284668     -6.344750      4.044002
  H      -2.705980     -7.936729      4.900747
  H      -1.619315     -8.201244      3.508401
  H      -6.430667     -7.632808      3.120297
  H      -5.584198     -7.633912      4.671772
  H      -4.477817     -7.601309      1.833084
  H      -4.024323     -8.695814      3.154949
  H      -2.869729     -4.638886      0.586515
  H      -4.364170     -5.410318      1.206433
  H      -1.502250     -5.987894      2.163776
  H      -2.531996     -7.105309      1.240850
  C      -3.011118     -2.772142      2.362402
  C      -4.120330     -1.926719      1.656693
  C      -4.114632     -0.471237      1.985290
  S      -4.215937      0.774964      0.933350
  C      -3.954823      0.058960      3.379791
  O      -2.949797     -0.129164      4.068260
  C      -1.648047     -2.637340      1.688917
  C      -1.363887     -1.700942      0.689792
  C      -0.079109     -1.613569      0.142159
  C       0.946740     -2.453965      0.571763
  C       0.645014     -3.382587      1.560399
  F       1.618971     -4.231709      1.985372
  C      -0.617366     -3.488579      2.131264
  C      -6.869147     -5.131355      4.034747
  C      -7.140388     -3.893257      3.133514
  C      -6.953168     -2.552173      3.797118
  S      -7.991408     -1.257798      3.542238
  C      -5.826720     -2.363567      4.617620
  O      -4.881813     -3.245651      4.732043
  C      -8.033206     -6.103405      3.995115
  C      -8.503783     -6.653903      5.192996
  C      -9.563454     -7.564450      5.188037
  C     -10.165539     -7.946963      3.988852
  C      -9.682085     -7.389648      2.808761
  F     -10.255018     -7.750403      1.631029
  C      -8.635999     -6.477453      2.784848
  C      -1.445332     -4.314024      5.998993
  C      -2.317603     -4.709698      7.214266
  C      -3.754194     -4.852351      6.777097
  S      -4.306682     -6.407296      6.268357
  C      -4.723616     -3.892094      7.323621
  O      -5.942923     -3.972109      7.272353
  C       0.051900     -4.292098      6.318469
  C       1.018508     -4.328072      5.300421
  C       2.379507     -4.224306      5.594022
  C       2.814554     -4.078493      6.910736
  C       1.848142     -4.039369      7.909277
  F       2.240275     -3.900690      9.196481
  C       0.486357     -4.139387      7.644593
  H      -2.931594     -2.341113      3.367005
  H      -5.081884     -2.312332      2.030257
  H      -4.116585     -2.063795      0.566127
  H      -4.729863      0.789845      3.689058
  H      -2.136536     -1.031564      0.315247
  H       0.121709     -0.879926     -0.639659
  H       1.949446     -2.408268      0.147296
  H      -0.848739     -4.259584      2.869447
  H      -6.797356     -4.805832      5.087397
  H      -6.473107     -3.964092      2.256484
  H      -8.162965     -3.924263      2.740143
  H      -5.706167     -1.440689      5.196327
  H      -8.036250     -6.359546      6.134396
  H      -9.929005     -7.978832      6.128562
  H     -10.995275     -8.653143      3.958342
  H      -8.302975     -6.074188      1.827271
  H      -2.132986     -2.417684      6.534220
  H      -1.939268     -5.663095      7.608914
  H      -2.234029     -3.965673      8.023330
  H      -4.241376     -2.995441      7.799214
  H       0.719173     -4.460601      4.264014
  H       3.109623     -4.264095      4.784788
  H       3.871097     -4.000663      7.166727
  H      -0.203912     -4.108230      8.485960
  N      -1.958163     -2.934396      5.667047
  N      -1.044074     -2.111513      4.911800
  H      -0.192367     -1.844478      5.435200
  H      -0.749130     -2.615103      4.048757
  H      -1.582046     -1.266541      4.600115
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.106945121314
  N      -3.402971     -4.157354      2.573125
  C      -3.339853     -5.091479      1.473444
  C      -2.539734     -6.288137      1.969426
  N      -3.156937     -6.752949      3.248819
  C      -4.303005     -7.666583      2.917684
  C      -5.555063     -7.227507      3.639487
  N      -5.570262     -5.781947      3.641964
  Mo     -3.887164     -4.875914      4.393529
  N      -1.830709     -5.111172      4.833990
  C      -1.183565     -6.418741      4.701721
  C      -2.153031     -7.437388      4.108631
  H      -0.827336     -6.806929      5.671931
  H      -0.285412     -6.344215      4.060932
  H      -2.709581     -7.937071      4.908180
  H      -1.618338     -8.201516      3.519556
  H      -6.431325     -7.640466      3.119072
  H      -5.588476     -7.634883      4.672280
  H      -4.475936     -7.609241      1.836157
  H      -4.025060     -8.701806      3.160388
  H      -2.865259     -4.654546      0.581138
  H      -4.363094     -5.420225      1.199629
  H      -1.503167     -5.995768      2.166743
  H      -2.529268     -7.118982      1.247121
  C      -3.000255     -2.783456      2.355532
  C      -4.106838     -1.918051      1.671859
  C      -4.087468     -0.474273      2.052395
  S      -4.210297      0.811868      1.053370
  C      -3.897250      0.004452      3.463339
  O      -2.915151     -0.271282      4.157645
  C      -1.639607     -2.650614      1.674235
  C      -1.355835     -1.708996      0.679385
  C      -0.070084     -1.614940      0.135287
  C       0.958243     -2.451699      0.565780
  C       0.657601     -3.384445      1.550781
  F       1.634170     -4.229580      1.977651
  C      -0.607194     -3.499614      2.114826
  C      -6.872415     -5.132515      4.020106
  C      -7.141011     -3.900825      3.108771
  C      -6.952790     -2.555170      3.762426
  S      -7.983203     -1.258458      3.488116
  C      -5.831803     -2.363445      4.589474
  O      -4.888529     -3.245488      4.716263
  C      -8.037317     -6.103786      3.987736
  C      -8.508584     -6.643628      5.190232
  C      -9.569614     -7.552572      5.193020
  C     -10.172574     -7.943998      3.997167
  C      -9.688624     -7.397027      2.812430
  F     -10.262396     -7.766673      1.637847
  C      -8.641130     -6.486640      2.780722
  C      -1.456579     -4.299826      5.989765
  C      -2.326193     -4.690825      7.208321
  C      -3.763376     -4.840876      6.775809
  S      -4.312187     -6.398067      6.270444
  C      -4.735057     -3.890282      7.335553
  O      -5.954038     -3.988504      7.312070
  C       0.041323     -4.276783      6.306132
  C       1.003838     -4.315226      5.284592
  C       2.365944     -4.209267      5.572282
  C       2.806110     -4.060839      6.887004
  C       1.843697     -4.022100      7.889462
  F       2.240954     -3.881814      9.174912
  C       0.480855     -4.123573      7.630371
  H      -2.909720     -2.359925      3.361624
  H      -5.070312     -2.309327      2.035657
  H      -4.105759     -2.021073      0.577770
  H      -4.677696      0.702682      3.828289
  H      -2.129552     -1.040527      0.306629
  H       0.130296     -0.877979     -0.643528
  H       1.962241     -2.399720      0.145057
  H      -0.835184     -4.271382      2.855779
  H      -6.802551     -4.798516      5.070089
  H      -6.473499     -3.978340      2.232290
  H      -8.163677     -3.932902      2.715467
  H      -5.715764     -1.438035      5.165346
  H      -8.040598     -6.341987      6.129101
  H      -9.935565     -7.958593      6.137040
  H     -11.003451     -8.649067      3.972589
  H      -8.307947     -6.091629      1.819763
  H      -2.154557     -2.377127      6.514515
  H      -1.943485     -5.640360      7.607749
  H      -2.244298     -3.941625      8.012812
  H      -4.254865     -2.999805      7.824332
  H       0.700512     -4.453439      4.249958
  H       3.092541     -4.249490      4.759784
  H       3.863554     -3.981384      7.138704
  H      -0.206178     -4.091140      8.474277
  N      -1.962005     -2.914064      5.662118
  N      -1.049254     -2.093178      4.903805
  H      -0.193140     -1.829414      5.422035
  H      -0.757841     -2.599876      4.042106
  H      -1.589684     -1.246900      4.588603
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107209727416
  N      -3.394015     -4.158031      2.571035
  C      -3.327083     -5.094857      1.473414
  C      -2.530976     -6.292354      1.973282
  N      -3.151539     -6.753514      3.252802
  C      -4.299649     -7.666371      2.924973
  C      -5.551463     -7.223102      3.645856
  N      -5.564218     -5.777542      3.643992
  Mo     -3.879499     -4.873116      4.392256
  N      -1.824875     -5.111118      4.836758
  C      -1.179226     -6.419331      4.707831
  C      -2.149212     -7.437336      4.115077
  H      -0.825398     -6.806379      5.679468
  H      -0.279646     -6.346633      4.068511
  H      -2.707328     -7.934580      4.915007
  H      -1.614776     -8.203450      3.528322
  H      -6.428263     -7.635988      3.126229
  H      -5.585976     -7.627421      4.679894
  H      -4.472953     -7.612425      1.843351
  H      -4.023088     -8.701166      3.170914
  H      -2.850023     -4.659895      0.581648
  H      -4.349786     -5.423555      1.197295
  H      -1.494105     -6.002302      2.171731
  H      -2.521121     -7.124647      1.252644
  C      -3.004464     -2.781045      2.350169
  C      -4.113043     -1.936189      1.648221
  C      -4.135796     -0.498961      2.045220
  S      -4.253607      0.796789      1.057482
  C      -4.023372     -0.036621      3.468557
  O      -3.054090     -0.277794      4.192365
  C      -1.640474     -2.636587      1.679235
  C      -1.356315     -1.690051      0.689565
  C      -0.069975     -1.594419      0.146438
  C       0.957127     -2.436743      0.571001
  C       0.655078     -3.375628      1.549929
  F       1.629559     -4.226439      1.970727
  C      -0.609167     -3.489378      2.114572
  C      -6.865034     -5.122708      4.016597
  C      -7.126822     -3.893665      3.100079
  C      -6.936271     -2.545801      3.749152
  S      -7.960036     -1.246052      3.464550
  C      -5.816607     -2.354258      4.578219
  O      -4.876306     -3.238710      4.709788
  C      -8.032936     -6.090317      3.984722
  C      -8.507367     -6.626370      5.187675
  C      -9.571089     -7.532171      5.190880
  C     -10.173729     -7.924095      3.995013
  C      -9.686571     -7.380972      2.809838
  F     -10.260039     -7.751061      1.635245
  C      -8.636267     -6.473850      2.777700
  C      -1.451626     -4.302354      5.994587
  C      -2.321412     -4.696290      7.213236
  C      -3.761273     -4.841073      6.786088
  S      -4.309749     -6.394850      6.269818
  C      -4.729858     -3.900653      7.368705
  O      -5.948921     -3.997540      7.349703
  C       0.046707     -4.283257      6.309352
  C       1.006998     -4.343124      5.286678
  C       2.370353     -4.244340      5.570192
  C       2.814218     -4.082463      6.882089
  C       1.854128     -4.024578      7.886061
  F       2.255198     -3.872627      9.168949
  C       0.489952     -4.118796      7.631045
  H      -2.928993     -2.350317      3.355518
  H      -5.076105     -2.352623      1.983199
  H      -4.082859     -2.027582      0.553332
  H      -4.804356      0.685093      3.783771
  H      -2.130203     -1.019848      0.319058
  H       0.131293     -0.853625     -0.628493
  H       1.960896     -2.384505      0.149849
  H      -0.837964     -4.264067      2.851864
  H      -6.796468     -4.785007      5.065481
  H      -6.456589     -3.976274      2.226371
  H      -8.148225     -3.924185      2.703376
  H      -5.697661     -1.425942      5.148866
  H      -8.039619     -6.324335      6.126530
  H      -9.939453     -7.935261      6.135213
  H     -11.006723     -8.626673      3.970754
  H      -8.300645     -6.081751      1.816391
  H      -2.139870     -2.392864      6.520164
  H      -1.940362     -5.648686      7.607477
  H      -2.235291     -3.951550      8.021363
  H      -4.247373     -3.008999      7.853222
  H       0.700490     -4.495232      4.254890
  H       3.094871     -4.301445      4.756769
  H       3.872782     -4.008382      7.130721
  H      -0.194986     -4.071594      8.475906
  N      -1.947591     -2.916493      5.660613
  N      -1.034405     -2.097422      4.899100
  H      -0.174498     -1.837345      5.412706
  H      -0.749157     -2.602322      4.033771
  H      -1.570469     -1.248392      4.588305
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107169103661
  N      -3.395741     -4.148664      2.577509
  C      -3.332599     -5.081894      1.475843
  C      -2.529851     -6.278194      1.968000
  N      -3.149237     -6.748173      3.245279
  C      -4.297919     -7.658187      2.910255
  C      -5.550412     -7.222257      3.634496
  N      -5.564018     -5.776835      3.648880
  Mo     -3.874698     -4.878029      4.395788
  N      -1.820397     -5.117601      4.842910
  C      -1.175266     -6.425062      4.700580
  C      -2.145780     -7.438694      4.100782
  H      -0.818310     -6.821259      5.667184
  H      -0.278746     -6.345454      4.058301
  H      -2.702645     -7.943323      4.896984
  H      -1.611572     -8.198939      3.506316
  H      -6.426739     -7.629510      3.109372
  H      -5.587045     -7.638249      4.663775
  H      -4.471194     -7.594549      1.829170
  H      -4.021518     -8.695357      3.146251
  H      -2.861387     -4.642715      0.582914
  H      -4.356034     -5.410968      1.204213
  H      -1.496002     -5.979117      2.169366
  H      -2.512651     -7.108185      1.244932
  C      -3.000852     -2.772565      2.354292
  C      -4.120065     -1.934674      1.657060
  C      -4.117438     -0.481655      1.992860
  S      -4.213424      0.772804      0.951030
  C      -3.963937      0.044122      3.390276
  O      -2.999773     -0.201439      4.118924
  C      -1.645680     -2.635913      1.665149
  C      -1.378251     -1.713690      0.648159
  C      -0.098660     -1.626135      0.087456
  C       0.937710     -2.452574      0.521196
  C       0.652051     -3.367743      1.527502
  F       1.635032     -4.203462      1.958724
  C      -0.605705     -3.472392      2.107129
  C      -6.863962     -5.126464      4.029773
  C      -7.127533     -3.887203      3.127542
  C      -6.940988     -2.549179      3.797678
  S      -7.974846     -1.251224      3.544229
  C      -5.818005     -2.367808      4.624594
  O      -4.873991     -3.251492      4.735165
  C      -8.031375     -6.094316      3.991685
  C      -8.499792     -6.644791      5.190597
  C      -9.563094     -7.550989      5.188241
  C     -10.171611     -7.928814      3.990757
  C      -9.690439     -7.371488      2.809784
  F     -10.269752     -7.727471      1.633686
  C      -8.640378     -6.463820      2.783246
  C      -1.451362     -4.321636      6.012528
  C      -2.322688     -4.726209      7.225761
  C      -3.758170     -4.871161      6.788009
  S      -4.301098     -6.419828      6.259718
  C      -4.733160     -3.913788      7.328614
  O      -5.952148     -3.990460      7.259411
  C       0.047081     -4.294947      6.331331
  C       1.012768     -4.348470      5.313734
  C       2.374175     -4.237080      5.603491
  C       2.810952     -4.069222      6.916852
  C       1.845568     -4.016923      7.916002
  F       2.238949     -3.858308      9.200389
  C       0.483515     -4.122581      7.654507
  H      -2.913492     -2.338175      3.357256
  H      -5.076204     -2.327903      2.036843
  H      -4.122842     -2.069234      0.566484
  H      -4.735151      0.780728      3.695207
  H      -2.159976     -1.053731      0.275029
  H       0.090975     -0.903644     -0.707423
  H       1.936690     -2.405225      0.088122
  H      -0.817797     -4.232632      2.865844
  H      -6.793357     -4.798785      5.081721
  H      -6.454910     -3.954474      2.254463
  H      -8.148249     -3.914484      2.728887
  H      -5.699095     -1.449663      5.211200
  H      -8.028003     -6.353099      6.130710
  H      -9.926723     -7.965373      6.129520
  H     -11.004766     -8.631036      3.962151
  H      -8.309499     -6.060554      1.824931
  H      -2.159625     -2.426698      6.563185
  H      -1.940769     -5.680284      7.615149
  H      -2.243216     -3.985539      8.038147
  H      -4.256155     -3.019990      7.814696
  H       0.714324     -4.503773      4.280313
  H       3.102169     -4.287621      4.792775
  H       3.867615     -3.985309      7.170350
  H      -0.205547     -4.076770      8.496197
  N      -1.957757     -2.932764      5.690986
  N      -1.043885     -2.095443      4.948499
  H      -0.195836     -1.826182      5.477195
  H      -0.736325     -2.593780      4.088462
  H      -1.589105     -1.254140      4.634742
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107348433319
  N      -3.400417     -4.154923      2.573587
  C      -3.335115     -5.089149      1.473230
  C      -2.536914     -6.286982      1.968379
  N      -3.157294     -6.752765      3.246014
  C      -4.305899     -7.662888      2.912693
  C      -5.556770     -7.224601      3.637536
  N      -5.569601     -5.779206      3.645321
  Mo     -3.882563     -4.878168      4.393126
  N      -1.827890     -5.117034      4.834582
  C      -1.184899     -6.426964      4.702524
  C      -2.154968     -7.441744      4.103638
  H      -0.834756     -6.818530      5.673606
  H      -0.284069     -6.354014      4.065768
  H      -2.712379     -7.945140      4.900191
  H      -1.620286     -8.203255      3.511193
  H      -6.434280     -7.634113      3.116232
  H      -5.590434     -7.635622      4.668863
  H      -4.480119     -7.600369      1.831655
  H      -4.029597     -8.699730      3.150172
  H      -2.859445     -4.651741      0.581885
  H      -4.358169     -5.416868      1.197569
  H      -1.501276     -5.993736      2.169003
  H      -2.523891     -7.117694      1.246015
  C      -3.003211     -2.779244      2.353162
  C      -4.109995     -1.932221      1.647775
  C      -4.111859     -0.482895      2.002495
  S      -4.232732      0.781515      0.975238
  C      -3.943095      0.030942      3.402943
  O      -2.962795     -0.205890      4.113718
  C      -1.639311     -2.640810      1.681583
  C      -1.353785     -1.698551      0.687918
  C      -0.066159     -1.603845      0.147855
  C       0.961429     -2.441644      0.580028
  C       0.658964     -3.375187      1.564066
  F       1.634111     -4.220046      1.994324
  C      -0.607363     -3.488474      2.123761
  C      -6.869613     -5.127555      4.024333
  C      -7.135188     -3.894496      3.114440
  C      -6.943242     -2.550217      3.770627
  S      -7.967397     -1.248944      3.495212
  C      -5.822504     -2.363563      4.599761
  O      -4.881151     -3.247923      4.724363
  C      -8.035925     -6.096956      3.992550
  C      -8.503423     -6.640137      5.195107
  C      -9.565473     -7.547817      5.198897
  C     -10.173302     -7.934698      4.003989
  C      -9.692797     -7.384822      2.819234
  F     -10.271388     -7.749920      1.645594
  C      -8.644186     -6.475702      2.786542
  C      -1.453311     -4.311781      5.995179
  C      -2.319408     -4.712259      7.213510
  C      -3.758454     -4.857578      6.785810
  S      -4.307194     -6.408720      6.265501
  C      -4.727934     -3.912414      7.357960
  O      -5.946906     -4.013441      7.343739
  C       0.045617     -4.284665      6.309228
  C       1.007936     -4.315656      5.287149
  C       2.369895     -4.205456      5.574613
  C       2.810151     -4.059255      6.889502
  C       1.847906     -4.026329      7.892352
  F       2.245091     -3.888270      9.178027
  C       0.485362     -4.131736      7.633446
  H      -2.923777     -2.346958      3.357273
  H      -5.073683     -2.327568      2.005221
  H      -4.095557     -2.051136      0.555337
  H      -4.717588      0.756212      3.725371
  H      -2.127594     -1.029536      0.314774
  H       0.136691     -0.866402     -0.629832
  H       1.966567     -2.388697      0.162161
  H      -0.832780     -4.256777      2.867238
  H      -6.798414     -4.794184      5.074414
  H      -6.467974     -3.971314      2.237880
  H      -8.158002     -3.923307      2.721235
  H      -5.705048     -1.440268      5.178562
  H      -8.031769     -6.341809      6.133196
  H      -9.928505     -7.956327      6.142968
  H     -11.005289     -8.638483      3.980147
  H      -8.313889     -6.078391      1.825533
  H      -2.152031     -2.410525      6.528434
  H      -1.936076     -5.665409      7.603794
  H      -2.233959     -3.969567      8.023607
  H      -4.245717     -3.031305      7.861549
  H       0.705339     -4.450534      4.251906
  H       3.095809     -4.239829      4.761333
  H       3.867361     -3.976414      7.141103
  H      -0.201548     -4.102827      8.477747
  N      -1.964102     -2.931228      5.667211
  N      -1.054221     -2.105028      4.911323
  H      -0.197880     -1.838709      5.427828
  H      -0.760278     -2.607320      4.048139
  H      -1.599062     -1.262239      4.598056
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107249282938
  N      -3.394368     -4.163047      2.568660
  C      -3.325677     -5.100166      1.471424
  C      -2.530930     -6.297033      1.974107
  N      -3.155120     -6.757627      3.251859
  C      -4.304043     -7.667699      2.919965
  C      -5.554868     -7.225991      3.643144
  N      -5.566699     -5.780549      3.643510
  Mo     -3.881002     -4.877284      4.390099
  N      -1.828401     -5.117544      4.834526
  C      -1.187342     -6.429465      4.715275
  C      -2.155706     -7.444915      4.114500
  H      -0.846998     -6.816415      5.691835
  H      -0.280372     -6.362217      4.086371
  H      -2.715886     -7.946552      4.910148
  H      -1.619336     -8.208131      3.525714
  H      -6.432496     -7.637719      3.123915
  H      -5.588273     -7.631846      4.676549
  H      -4.477644     -7.607755      1.838668
  H      -4.028483     -8.704055      3.160406
  H      -2.845356     -4.666063      0.580991
  H      -4.347808     -5.427962      1.191929
  H      -1.495112     -6.005483      2.176713
  H      -2.517475     -7.130160      1.254511
  C      -3.001176     -2.787198      2.349454
  C      -4.108322     -1.932187      1.656922
  C      -4.128344     -0.498836      2.070527
  S      -4.273868      0.805749      1.097812
  C      -3.984119     -0.043751      3.493926
  O      -3.008390     -0.297679      4.205798
  C      -1.637625     -2.641831      1.677347
  C      -1.350697     -1.686759      0.696154
  C      -0.062737     -1.585751      0.158398
  C       0.964258     -2.429451      0.580456
  C       0.660663     -3.375621      1.551872
  F       1.635141     -4.226125      1.972150
  C      -0.606525     -3.496686      2.108594
  C      -6.866691     -5.124436      4.015746
  C      -7.129045     -3.898378      3.095737
  C      -6.932720     -2.547914      3.738093
  S      -7.945928     -1.243230      3.438722
  C      -5.815401     -2.356678      4.570887
  O      -4.877478     -3.242369      4.709935
  C      -8.034127     -6.092645      3.989178
  C      -8.503202     -6.627501      5.194836
  C      -9.566018     -7.534267      5.203596
  C     -10.173075     -7.928447      4.010689
  C      -9.691096     -7.386665      2.822804
  F     -10.268991     -7.758912      1.651074
  C      -8.641707     -6.478648      2.785110
  C      -1.453899     -4.304132      5.988812
  C      -2.323894     -4.692026      7.208907
  C      -3.762096     -4.840609      6.779060
  S      -4.310334     -6.396097      6.269910
  C      -4.732617     -3.890184      7.341331
  O      -5.951968     -3.972908      7.292916
  C       0.044328     -4.281866      6.303796
  C       1.005034     -4.327955      5.280759
  C       2.367887     -4.224966      5.565465
  C       2.810570     -4.071759      6.878841
  C       1.849897     -4.025888      7.882853
  F       2.249901     -3.881948      9.167022
  C       0.486243     -4.124106      7.626576
  H      -2.919912     -2.360917      3.355641
  H      -5.072824     -2.349213      1.986553
  H      -4.079202     -2.010073      0.560950
  H      -4.760475      0.673500      3.829006
  H      -2.123631     -1.014043      0.328874
  H       0.140705     -0.838872     -0.610082
  H       1.969552     -2.371653      0.163653
  H      -0.832540     -4.272252      2.845054
  H      -6.797001     -4.783426      5.063453
  H      -6.463221     -3.985648      2.219042
  H      -8.152262     -3.927704      2.703499
  H      -5.697190     -1.426754      5.139116
  H      -8.031964     -6.323657      6.131368
  H      -9.930208     -7.936322      6.149988
  H     -11.005573     -8.631747      3.990700
  H      -8.310277     -6.087805      1.821832
  H      -2.152535     -2.381384      6.507982
  H      -1.942693     -5.641338      7.610460
  H      -2.239716     -3.941108      8.011596
  H      -4.251875     -2.986596      7.804854
  H       0.699411     -4.471353      4.247416
  H       3.092544     -4.271377      4.751565
  H       3.868649     -3.994394      7.128551
  H      -0.199514     -4.085711      8.471325
  N      -1.954426     -2.915327      5.655956
  N      -1.046867     -2.097443      4.888749
  H      -0.183138     -1.834712      5.394585
  H      -0.764265     -2.603058      4.023085
  H      -1.588640     -1.251053      4.576166
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107493987949
  N      -3.393424     -4.157797      2.571271
  C      -3.325356     -5.094198      1.473052
  C      -2.527733     -6.290272      1.973075
  N      -3.151020     -6.753551      3.250544
  C      -4.300040     -7.663390      2.917132
  C      -5.551653     -7.223769      3.640602
  N      -5.563995     -5.778304      3.645908
  Mo     -3.876912     -4.876992      4.391815
  N      -1.824565     -5.116365      4.839320
  C      -1.182441     -6.427163      4.714312
  C      -2.150247     -7.441916      4.110935
  H      -0.840231     -6.817365      5.688852
  H      -0.276646     -6.355892      4.084123
  H      -2.709579     -7.946438      4.905401
  H      -1.613336     -8.202740      3.519623
  H      -6.428721     -7.633910      3.119121
  H      -5.586412     -7.633171      4.672568
  H      -4.473464     -7.601510      1.835936
  H      -4.024298     -8.700199      3.155431
  H      -2.847707     -4.658499      0.581878
  H      -4.347609     -5.422828      1.195486
  H      -1.492898     -5.995569      2.175949
  H      -2.512061     -7.122869      1.252943
  C      -3.004042     -2.781222      2.348011
  C      -4.116827     -1.938642      1.649011
  C      -4.135329     -0.496594      2.029857
  S      -4.274142      0.785243      1.026373
  C      -3.979597     -0.007444      3.440443
  O      -3.004126     -0.252842      4.155202
  C      -1.643479     -2.636061      1.670812
  C      -1.362903     -1.685283      0.683739
  C      -0.077499     -1.584697      0.139627
  C       0.952601     -2.425110      0.560786
  C       0.654730     -3.367801      1.537510
  F       1.632152     -4.215627      1.956513
  C      -0.609769     -3.487920      2.100318
  C      -6.863819     -5.123020      4.019564
  C      -7.125428     -3.893651      3.103749
  C      -6.930745     -2.546442      3.753287
  S      -7.947420     -1.242201      3.464438
  C      -5.813175     -2.359167      4.586645
  O      -4.874226     -3.244834      4.719104
  C      -8.031659     -6.090669      3.990488
  C      -8.499427     -6.630130      5.194650
  C      -9.562598     -7.536461      5.201181
  C     -10.171565     -7.925421      4.007510
  C      -9.691062     -7.378928      2.821209
  F     -10.270882     -7.745925      1.648773
  C      -8.641184     -6.471348      2.785753
  C      -1.452888     -4.309676      6.000316
  C      -2.323901     -4.704499      7.217331
  C      -3.760994     -4.851843      6.784274
  S      -4.305457     -6.404611      6.265990
  C      -4.733907     -3.901138      7.341356
  O      -5.953135     -3.993165      7.304749
  C       0.045331     -4.288236      6.317058
  C       1.007785     -4.344668      5.296440
  C       2.370441     -4.242079      5.582737
  C       2.811339     -4.080037      6.895565
  C       1.849034     -4.025660      7.897578
  F       2.247032     -3.873631      9.181407
  C       0.485676     -4.123136      7.639622
  H      -2.923365     -2.348776      3.351990
  H      -5.078059     -2.350041      1.995115
  H      -4.096299     -2.039738      0.554831
  H      -4.756010      0.714150      3.766343
  H      -2.138844     -1.014163      0.319151
  H       0.121748     -0.840584     -0.632630
  H       1.956046     -2.367481      0.139481
  H      -0.831338     -4.262565      2.840423
  H      -6.794026     -4.784960      5.068233
  H      -6.457733     -3.975947      2.228074
  H      -8.147978     -3.921682      2.709675
  H      -5.695770     -1.433213      5.161323
  H      -8.026932     -6.330063      6.131763
  H      -9.925673     -7.942210      6.146425
  H     -11.004523     -8.628126      3.985780
  H      -8.310949     -6.076787      1.823587
  H      -2.148707     -2.408731      6.530658
  H      -1.942505     -5.655794      7.613958
  H      -2.241704     -3.957781      8.024009
  H      -4.254930     -3.011746      7.833378
  H       0.704479     -4.496888      4.263847
  H       3.096169     -4.295836      4.770210
  H       3.869135     -4.002964      7.146535
  H      -0.201176     -4.077337      8.483070
  N      -1.956807     -2.927633      5.667157
  N      -1.047766     -2.101998      4.908774
  H      -0.185890     -1.842263      5.419481
  H      -0.761338     -2.602311      4.041715
  H      -1.590493     -1.255024      4.601216
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107372786088
  N      -3.396147     -4.156785      2.575011
  C      -3.327680     -5.090819      1.474304
  C      -2.532941     -6.290069      1.971221
  N      -3.158352     -6.755989      3.246281
  C      -4.308517     -7.662297      2.908275
  C      -5.558284     -7.225084      3.635488
  N      -5.569471     -5.779704      3.646661
  Mo     -3.881070     -4.881705      4.393708
  N      -1.829215     -5.126574      4.837118
  C      -1.191014     -6.439602      4.712539
  C      -2.160077     -7.450160      4.104461
  H      -0.853829     -6.832367      5.687818
  H      -0.282955     -6.370882      4.085739
  H      -2.720853     -7.957423      4.896180
  H      -1.624145     -8.209228      3.510038
  H      -6.436601     -7.632492      3.113927
  H      -5.591371     -7.638662      4.665819
  H      -4.482872     -7.593629      1.827639
  H      -4.033978     -8.700868      3.140167
  H      -2.848157     -4.653393      0.585051
  H      -4.350023     -5.416799      1.194019
  H      -1.498009     -5.997959      2.176529
  H      -2.517813     -7.120665      1.248728
  C      -3.002773     -2.779854      2.353394
  C      -4.107247     -1.941758      1.635227
  C      -4.124528     -0.492493      1.988150
  S      -4.259056      0.767788      0.956863
  C      -3.960596      0.028474      3.386074
  O      -2.980820     -0.198544      4.101001
  C      -1.635074     -2.634211      1.690095
  C      -1.348044     -1.685199      0.703145
  C      -0.058503     -1.583813      0.168714
  C       0.969873     -2.421993      0.599006
  C       0.666481     -3.362207      1.576405
  F       1.641618     -4.207294      2.005892
  C      -0.601674     -3.480876      2.130598
  C      -6.868552     -5.126087      4.025438
  C      -7.133559     -3.894427      3.113953
  C      -6.935821     -2.548925      3.766030
  S      -7.951036     -1.242745      3.480936
  C      -5.817248     -2.364585      4.598885
  O      -4.878526     -3.250900      4.728852
  C      -8.035611     -6.094712      3.997025
  C      -8.498554     -6.638748      5.201010
  C      -9.560838     -7.546084      5.208258
  C     -10.173677     -7.931599      4.015449
  C      -9.697843     -7.380723      2.829297
  F     -10.281484     -7.744289      1.657700
  C      -8.648922     -6.472039      2.793165
  C      -1.455062     -4.320959      5.997042
  C      -2.320734     -4.719522      7.216828
  C      -3.759500     -4.865157      6.788419
  S      -4.307093     -6.414884      6.264551
  C      -4.729955     -3.916096      7.352361
  O      -5.949423     -4.003684      7.313089
  C       0.044524     -4.291761      6.306396
  C       1.002139     -4.327225      5.280101
  C       2.365274     -4.214579      5.560498
  C       2.811433     -4.062744      6.872787
  C       1.853811     -4.026985      7.880085
  F       2.257012     -3.883755      9.163296
  C       0.490059     -4.134139      7.628069
  H      -2.932918     -2.343195      3.356545
  H      -5.072594     -2.343417      1.980618
  H      -4.079721     -2.060803      0.542992
  H      -4.733315      0.760419      3.697292
  H      -2.122414     -1.016136      0.330919
  H       0.145421     -0.841233     -0.603786
  H       1.976226     -2.363838      0.184760
  H      -0.824509     -4.251399      2.872681
  H      -6.796210     -4.790889      5.074839
  H      -6.469971     -3.974612      2.234946
  H      -8.157858     -3.921008      2.724313
  H      -5.700138     -1.441003      5.177287
  H      -8.023153     -6.341232      6.137466
  H      -9.920236     -7.955283      6.153423
  H     -11.006098     -8.634955      3.994294
  H      -8.322412     -6.074068      1.831143
  H      -2.163223     -2.400211      6.531535
  H      -1.937819     -5.671892      7.609370
  H      -2.235334     -3.974845      8.025122
  H      -4.248860     -3.026713      7.842301
  H       0.694726     -4.467826      4.246957
  H       3.086971     -4.251368      4.743490
  H       3.869704     -3.977959      7.119230
  H      -0.193042     -4.102009      8.475289
  N      -1.959581     -2.927827      5.675724
  N      -1.054810     -2.100285      4.916087
  H      -0.195779     -1.831611      5.427120
  H      -0.763670     -2.601187      4.051011
  H      -1.603128     -1.258910      4.604049
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107514649818
  N      -3.394515     -4.157804      2.570375
  C      -3.326882     -5.093466      1.471122
  C      -2.530864     -6.290852      1.970684
  N      -3.155991     -6.754750      3.247037
  C      -4.306066     -7.662055      2.910486
  C      -5.556883     -7.223700      3.635628
  N      -5.568017     -5.778340      3.645196
  Mo     -3.879109     -4.879513      4.389823
  N      -1.827325     -5.121125      4.836335
  C      -1.188461     -6.434038      4.713150
  C      -2.156723     -7.446466      4.106180
  H      -0.851037     -6.825475      5.688846
  H      -0.280584     -6.365137      4.086140
  H      -2.716865     -7.953469      4.898494
  H      -1.619965     -8.205556      3.512552
  H      -6.434549     -7.631620      3.113303
  H      -5.591679     -7.636142      4.666364
  H      -4.479645     -7.595691      1.829586
  H      -4.031517     -8.700152      3.144554
  H      -2.847790     -4.657616      0.580790
  H      -4.349369     -5.419905      1.192037
  H      -1.496624     -5.995891      2.175966
  H      -2.513721     -7.123277      1.250393
  C      -3.000093     -2.781880      2.348369
  C      -4.108207     -1.938719      1.642252
  C      -4.126614     -0.495062      2.017370
  S      -4.261008      0.782347      1.007384
  C      -3.969901      0.001688      3.425236
  O      -2.998469     -0.245235      4.144991
  C      -1.635941     -2.638657      1.677965
  C      -1.351484     -1.691944      0.687942
  C      -0.063368     -1.591979      0.150120
  C       0.966009     -2.428599      0.580688
  C       0.664835     -3.366625      1.560924
  F       1.641347     -4.210015      1.990462
  C      -0.602712     -3.485733      2.116717
  C      -6.867041     -5.122953      4.020583
  C      -7.129625     -3.893222      3.105775
  C      -6.932021     -2.546669      3.755811
  S      -7.946024     -1.240326      3.467165
  C      -5.814348     -2.361672      4.589668
  O      -4.875994     -3.248095      4.721658
  C      -8.034790     -6.090760      3.993813
  C      -8.498279     -6.631903      5.198929
  C      -9.561275     -7.538361      5.208006
  C     -10.174397     -7.925824      4.015958
  C      -9.698059     -7.377796      2.828705
  F     -10.282039     -7.743205      1.657841
  C      -8.648328     -6.470094      2.790726
  C      -1.454680     -4.315575      5.997843
  C      -2.320221     -4.716968      7.216499
  C      -3.758965     -4.861894      6.788162
  S      -4.306042     -6.410832      6.263068
  C      -4.729147     -3.913103      7.352479
  O      -5.948748     -3.997797      7.308573
  C       0.044697     -4.286460      6.309365
  C       1.004694     -4.324388      5.285532
  C       2.367305     -4.211666      5.569131
  C       2.810458     -4.056962      6.882036
  C       1.850434     -4.018646      7.886916
  F       2.250504     -3.872703      9.170803
  C       0.487339     -4.126068      7.631764
  H      -2.923693     -2.348300      3.352190
  H      -5.071615     -2.347311      1.985416
  H      -4.083312     -2.043700      0.548560
  H      -4.742387      0.730549      3.744149
  H      -2.126712     -1.023408      0.316988
  H       0.139025     -0.851224     -0.624541
  H       1.971625     -2.370918      0.164568
  H      -0.824142     -4.255019      2.861401
  H      -6.795598     -4.784958      5.069142
  H      -6.464266     -3.975299      2.228304
  H      -8.153201     -3.919778      2.714220
  H      -5.696671     -1.436765      5.165902
  H      -8.022750     -6.332708      6.134783
  H      -9.921045     -7.945313      6.154001
  H     -11.007444     -8.628481      3.996197
  H      -8.321506     -6.074402      1.827868
  H      -2.158071     -2.420804      6.535359
  H      -1.936971     -5.670149      7.606659
  H      -2.234958     -3.974056      8.026357
  H      -4.247929     -3.022582      7.840272
  H       0.700122     -4.467371      4.251936
  H       3.091007     -4.250703      4.754032
  H       3.868166     -3.972062      7.130840
  H      -0.197687     -4.091821      8.477354
  N      -1.968355     -2.935611      5.668911
  N      -1.060117     -2.106640      4.914233
  H      -0.201850     -1.841702      5.428620
  H      -0.765979     -2.607118      4.050150
  H      -1.605951     -1.263727      4.601678
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107367634748
  N      -3.386546     -4.163781      2.569504
  C      -3.314372     -5.101258      1.472647
  C      -2.520346     -6.297329      1.977383
  N      -3.149099     -6.758151      3.252981
  C      -4.299741     -7.664814      2.916758
  C      -5.550130     -7.223917      3.641581
  N      -5.560145     -5.778503      3.645532
  Mo     -3.873027     -4.878800      4.390615
  N      -1.823354     -5.123621      4.841056
  C      -1.186979     -6.438447      4.728742
  C      -2.153148     -7.449880      4.116415
  H      -0.860739     -6.827231      5.709454
  H      -0.272016     -6.374434      4.111225
  H      -2.716788     -7.956772      4.906252
  H      -1.614345     -8.209591      3.525384
  H      -6.428291     -7.633368      3.121437
  H      -5.583795     -7.632388      4.673930
  H      -4.473146     -7.599397      1.835758
  H      -4.025959     -8.702770      3.152288
  H      -2.832037     -4.666812      0.583397
  H      -4.335537     -5.429382      1.189952
  H      -1.485590     -6.004748      2.184222
  H      -2.503608     -7.130791      1.258266
  C      -3.006822     -2.785444      2.344487
  C      -4.123051     -1.947116      1.647097
  C      -4.161239     -0.510284      2.047008
  S      -4.341402      0.779195      1.059480
  C      -3.997262     -0.032840      3.460690
  O      -3.009403     -0.267649      4.162322
  C      -1.646341     -2.630331      1.668540
  C      -1.364794     -1.660316      0.700357
  C      -0.079126     -1.549215      0.159426
  C       0.950715     -2.397693      0.564845
  C       0.652370     -3.359093      1.522914
  F       1.629776     -4.214144      1.926574
  C      -0.612800     -3.490868      2.082355
  C      -6.859165     -5.119147      4.015211
  C      -7.118176     -3.895277      3.091797
  C      -6.915181     -2.543203      3.728896
  S      -7.916663     -1.232573      3.416268
  C      -5.802072     -2.355265      4.568319
  O      -4.867807     -3.243425      4.714725
  C      -8.028092     -6.085655      3.991923
  C      -8.493600     -6.620116      5.199224
  C      -9.557350     -7.525670      5.211630
  C     -10.169192     -7.918846      4.020802
  C      -9.690890     -7.377362      2.831335
  F     -10.273671     -7.748378      1.661656
  C      -8.640409     -6.470689      2.789998
  C      -1.451881     -4.311358      5.997959
  C      -2.327247     -4.695284      7.215686
  C      -3.762902     -4.845069      6.778722
  S      -4.305568     -6.401016      6.267946
  C      -4.737543     -3.889128      7.323810
  O      -5.956493     -3.986021      7.291868
  C       0.045267     -4.293257      6.318132
  C       1.008783     -4.362383      5.299355
  C       2.371400     -4.264709      5.586622
  C       2.811101     -4.095137      6.898968
  C       1.847680     -4.029057      7.899317
  F       2.244857     -3.870374      9.182620
  C       0.484134     -4.121618      7.640230
  H      -2.928550     -2.352951      3.348424
  H      -5.083261     -2.372284      1.979249
  H      -4.093926     -2.033109      0.551715
  H      -4.777130      0.679546      3.797983
  H      -2.140179     -0.982660      0.347194
  H       0.120591     -0.790416     -0.598282
  H       1.954284     -2.331876      0.145067
  H      -0.834268     -4.276866      2.810739
  H      -6.789269     -4.775168      5.061897
  H      -6.454772     -3.987643      2.213792
  H      -8.142317     -3.921401      2.701578
  H      -5.684714     -1.425229      5.136453
  H      -8.018795     -6.316750      6.134109
  H      -9.918653     -7.927438      6.159249
  H     -11.002688     -8.621039      4.003639
  H      -8.312084     -6.080173      1.825530
  H      -2.148454     -2.392335      6.513738
  H      -1.948423     -5.643401      7.622297
  H      -2.246547     -3.941504      8.016006
  H      -4.259967     -3.003148      7.823220
  H       0.705618     -4.522049      4.268012
  H       3.097783     -4.328715      4.775372
  H       3.868914     -4.021642      7.150968
  H      -0.203954     -4.067025      8.482179
  N      -1.947457     -2.924307      5.661857
  N      -1.042970     -2.103066      4.894172
  H      -0.172297     -1.849179      5.392694
  H      -0.770407     -2.601902      4.021192
  H      -1.583957     -1.252047      4.593886
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107564711979
  N      -3.390559     -4.160440      2.570228
  C      -3.320442     -5.096740      1.471814
  C      -2.526219     -6.294083      1.973652
  N      -3.153901     -6.756666      3.249084
  C      -4.304661     -7.662598      2.911383
  C      -5.554772     -7.223527      3.637359
  N      -5.564929     -5.778167      3.645655
  Mo     -3.876462     -4.879886      4.390077
  N      -1.826068     -5.124319      4.838290
  C      -1.189987     -6.439154      4.722151
  C      -2.156901     -7.449909      4.109783
  H      -0.861732     -6.829781      5.701396
  H      -0.276652     -6.373890      4.102642
  H      -2.719268     -7.958594      4.899409
  H      -1.618784     -8.208103      3.516237
  H      -6.433035     -7.631455      3.116112
  H      -5.588580     -7.635062      4.668486
  H      -4.478415     -7.594688      1.830602
  H      -4.030879     -8.701154      3.144280
  H      -2.838989     -4.661395      0.582520
  H      -4.342255     -5.423238      1.189920
  H      -1.491782     -6.000868      2.180587
  H      -2.509178     -7.126837      1.253724
  C      -3.003926     -2.782986      2.345800
  C      -4.114178     -1.945180      1.637719
  C      -4.143653     -0.502587      2.016747
  S      -4.304739      0.773757      1.009079
  C      -3.976562     -0.004939      3.423053
  O      -2.994885     -0.242403      4.132301
  C      -1.640221     -2.632848      1.675865
  C      -1.355975     -1.671371      0.700003
  C      -0.068194     -1.563466      0.163263
  C       0.961176     -2.406734      0.580664
  C       0.660364     -3.359259      1.546847
  F       1.637005     -4.209132      1.962825
  C      -0.606894     -3.486816      2.101953
  C      -6.863787     -5.120848      4.018773
  C      -7.125450     -3.894343      3.099708
  C      -6.923240     -2.544843      3.742341
  S      -7.928531     -1.234895      3.439465
  C      -5.808109     -2.359047      4.579589
  O      -4.872359     -3.246753      4.720183
  C      -8.031848     -6.088372      3.995096
  C      -8.493905     -6.627094      5.201861
  C      -9.556858     -7.533554      5.214031
  C     -10.171413     -7.923379      4.023486
  C      -9.696551     -7.377681      2.834578
  F     -10.282008     -7.745356      1.665178
  C      -8.646847     -6.470067      2.793502
  C      -1.453901     -4.316050      5.997912
  C      -2.322631     -4.711336      7.216670
  C      -3.760698     -4.857593      6.786482
  S      -4.305788     -6.408536      6.264758
  C      -4.732049     -3.908661      7.348908
  O      -5.951487     -3.996785      7.308542
  C       0.044631     -4.291067      6.312634
  C       1.006257     -4.341378      5.290863
  C       2.368912     -4.235146      5.576343
  C       2.810368     -4.074899      6.889192
  C       1.848758     -4.025479      7.892094
  F       2.247428     -3.874885      9.175894
  C       0.485525     -4.126633      7.635069
  H      -2.929889     -2.347497      3.348921
  H      -5.077016     -2.360164      1.974643
  H      -4.084530     -2.046071      0.543681
  H      -4.751849      0.717521      3.749457
  H      -2.131147     -0.997505      0.338692
  H       0.133824     -0.811324     -0.600446
  H       1.966433     -2.343252      0.164548
  H      -0.828330     -4.265611      2.836945
  H      -6.792452     -4.779604      5.066248
  H      -6.462866     -3.982189      2.220660
  H      -8.150061     -3.920115      2.710702
  H      -5.691095     -1.431910      5.152370
  H      -8.017153     -6.326132      6.136526
  H      -9.915467     -7.938639      6.161265
  H     -11.004450     -8.626112      4.006140
  H      -8.321266     -6.076277      1.829440
  H      -2.155339     -2.410114      6.526699
  H      -1.940972     -5.662895      7.612323
  H      -2.238172     -3.964786      8.023299
  H      -4.251830     -3.018423      7.838153
  H       0.702338     -4.490535      4.257964
  H       3.094018     -4.284308      4.763040
  H       3.868100     -3.994918      7.139540
  H      -0.200945     -4.084495      8.479093
  N      -1.960297     -2.932938      5.667000
  N      -1.054832     -2.106843      4.906261
  H      -0.189570     -1.848243      5.412023
  H      -0.772266     -2.605360      4.036747
  H      -1.598856     -1.259842      4.601229
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107544446169
  N      -3.390064     -4.159362      2.569696
  C      -3.319543     -5.095021      1.470406
  C      -2.526393     -6.292974      1.972469
  N      -3.156415     -6.756525      3.246403
  C      -4.307910     -7.660217      2.905401
  C      -5.557532     -7.222865      3.633024
  N      -5.567328     -5.777543      3.645554
  Mo     -3.877321     -4.880929      4.388590
  N      -1.827875     -5.127742      4.837230
  C      -1.194239     -6.444057      4.722997
  C      -2.161130     -7.452724      4.106636
  H      -0.870760     -6.835857      5.703382
  H      -0.278672     -6.380308      4.106853
  H      -2.724706     -7.963601      4.893975
  H      -1.622768     -8.209390      3.511388
  H      -6.436118     -7.629051      3.110939
  H      -5.591220     -7.637490      4.662912
  H      -4.481671     -7.587958      1.824911
  H      -4.035024     -8.699941      3.134142
  H      -2.836676     -4.659451      0.582016
  H      -4.341251     -5.420153      1.186833
  H      -1.492938     -5.998621      2.182411
  H      -2.506844     -7.125554      1.252393
  C      -2.999052     -2.782431      2.346901
  C      -4.105783     -1.943785      1.634208
  C      -4.139426     -0.502381      2.016952
  S      -4.291628      0.777077      1.011626
  C      -3.986840     -0.009382      3.426476
  O      -3.016351     -0.255258      4.148056
  C      -1.632202     -2.633818      1.682643
  C      -1.345503     -1.680672      0.699274
  C      -0.055704     -1.575921      0.166368
  C       0.973521     -2.414260      0.594648
  C       0.670620     -3.358420      1.568409
  F       1.646251     -4.203366      1.996473
  C      -0.598643     -3.481483      2.119200
  C      -6.865824     -5.120672      4.020418
  C      -7.128765     -3.893250      3.103101
  C      -6.924794     -2.544814      3.747329
  S      -7.929244     -1.233644      3.446821
  C      -5.809275     -2.361005      4.584461
  O      -4.873410     -3.248999      4.723170
  C      -8.033782     -6.088366      3.997865
  C      -8.492312     -6.629683      5.204843
  C      -9.555189     -7.536183      5.218194
  C     -10.173331     -7.923387      4.028639
  C      -9.702038     -7.375059      2.839533
  F     -10.291118     -7.739982      1.671092
  C      -8.652376     -6.467418      2.797299
  C      -1.455576     -4.320161      5.997131
  C      -2.322019     -4.717213      7.216865
  C      -3.759683     -4.863522      6.785736
  S      -4.305194     -6.412969      6.261937
  C      -4.731404     -3.907729      7.335096
  O      -5.950914     -3.993383      7.289562
  C       0.043964     -4.289965      6.306810
  C       1.001977     -4.333911      5.281313
  C       2.365191     -4.220573      5.561825
  C       2.810776     -4.059770      6.873184
  C       1.852659     -4.016174      7.879723
  F       2.255318     -3.864378      9.162107
  C       0.489004     -4.123855      7.627687
  H      -2.928729     -2.346836      3.350256
  H      -5.070060     -2.360418      1.964756
  H      -4.069764     -2.042461      0.540170
  H      -4.758110      0.722178      3.741969
  H      -2.120391     -1.011176      0.329346
  H       0.148277     -0.830348     -0.603236
  H       1.980198     -2.352855      0.181648
  H      -0.818867     -4.253034      2.861314
  H      -6.793219     -4.780134      5.068018
  H      -6.468042     -3.979884      2.222544
  H      -8.154211     -3.917935      2.716176
  H      -5.691599     -1.434683      5.158441
  H      -8.012996     -6.330487      6.138763
  H      -9.911018     -7.943288      6.165613
  H     -11.006515     -8.625968      4.012220
  H      -8.329710     -6.071583      1.833101
  H      -2.163501     -2.419698      6.530732
  H      -1.939575     -5.668769      7.611806
  H      -2.237908     -3.970627      8.023440
  H      -4.251428     -3.021872      7.832531
  H       0.695074     -4.482066      4.248939
  H       3.087299     -4.263977      4.745532
  H       3.868978     -3.974304      7.119692
  H      -0.194497     -4.085163      8.474264
  N      -1.968271     -2.937730      5.666782
  N      -1.063058     -2.108989      4.909165
  H      -0.202935     -1.842560      5.419883
  H      -0.770359     -2.609131      4.044233
  H      -1.609216     -1.266479      4.596186
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107591212724
  N      -3.388167     -4.160700      2.570303
  C      -3.317180     -5.096759      1.471447
  C      -2.523761     -6.294085      1.974486
  N      -3.154727     -6.757302      3.248238
  C      -4.306480     -7.660534      2.906493
  C      -5.556454     -7.222830      3.633420
  N      -5.565539     -5.777543      3.646129
  Mo     -3.875558     -4.881527      4.389184
  N      -1.826523     -5.128861      4.839263
  C      -1.193819     -6.445782      4.727079
  C      -2.160057     -7.454006      4.108799
  H      -0.873132     -6.837405      5.708451
  H      -0.276694     -6.382917      4.113155
  H      -2.724253     -7.965823      4.895078
  H      -1.621090     -8.209998      3.513263
  H      -6.434849     -7.628545      3.110630
  H      -5.591083     -7.637603      4.663216
  H      -4.479631     -7.587907      1.825933
  H      -4.034102     -8.700436      3.135058
  H      -2.834046     -4.661391      0.583035
  H      -4.338713     -5.422117      1.187511
  H      -1.490624     -5.998960      2.185257
  H      -2.503184     -7.127061      1.254913
  C      -3.000465     -2.783391      2.345808
  C      -4.111418     -1.947387      1.636802
  C      -4.145684     -0.505228      2.017279
  S      -4.309621      0.771424      1.010197
  C      -3.980752     -0.008521      3.424218
  O      -3.001923     -0.248451      4.136497
  C      -1.636164     -2.633128      1.676853
  C      -1.353106     -1.676447      0.695763
  C      -0.065020     -1.568685      0.159622
  C       0.966057     -2.407276      0.582525
  C       0.666658     -3.355029      1.553875
  F       1.644517     -4.200162      1.976354
  C      -0.601147     -3.482011      2.107558
  C      -6.864084     -5.119036      4.017808
  C      -7.124127     -3.892851      3.098058
  C      -6.918962     -2.543558      3.740178
  S      -7.919697     -1.230815      3.434049
  C      -5.805643     -2.360333      4.580350
  O      -4.871065     -3.249061      4.722613
  C      -8.032782     -6.085842      3.995201
  C      -8.492300     -6.625912      5.202393
  C      -9.555762     -7.531699      5.215924
  C     -10.173594     -7.919393      4.026355
  C      -9.701356     -7.372302      2.837069
  F     -10.290183     -7.737646      1.668632
  C      -8.651014     -6.465431      2.794635
  C      -1.455418     -4.321245      5.999546
  C      -2.321406     -4.719909      7.219131
  C      -3.759813     -4.865221      6.790049
  S      -4.304863     -6.413591      6.263093
  C      -4.730657     -3.914829      7.350066
  O      -5.950269     -4.000939      7.307229
  C       0.043939     -4.291088      6.310389
  C       1.003079     -4.341012      5.286351
  C       2.366104     -4.228077      5.568012
  C       2.810348     -4.061875      6.879132
  C       1.851109     -4.012927      7.884352
  F       2.252419     -3.856175      9.166567
  C       0.487659     -4.120216      7.631133
  H      -2.927825     -2.347250      3.348657
  H      -5.073666     -2.365075      1.972315
  H      -4.080384     -2.047758      0.542784
  H      -4.750560      0.722329      3.744799
  H      -2.129593     -1.006153      0.330724
  H       0.136265     -0.820281     -0.607943
  H       1.971600     -2.343432      0.167123
  H      -0.819030     -4.256696      2.848042
  H      -6.792832     -4.776834      5.064946
  H      -6.462482     -3.981756      2.218418
  H      -8.149141     -3.916617      2.709890
  H      -5.688552     -1.433570      5.153717
  H      -8.013245     -6.326280      6.136305
  H      -9.912323     -7.937844      6.163480
  H     -11.007260     -8.621405      4.010064
  H      -8.327644     -6.070604      1.830260
  H      -2.165439     -2.419210      6.533020
  H      -1.938801     -5.672285      7.611844
  H      -2.236116     -3.974980      8.027116
  H      -4.250009     -3.028171      7.845426
  H       0.697354     -4.494118      4.254490
  H       3.089150     -4.276203      4.752806
  H       3.868363     -3.976642      7.126521
  H      -0.196785     -4.077314      8.476761
  N      -1.967830     -2.938628      5.671118
  N      -1.062545     -2.108551      4.914755
  H      -0.200815     -1.845957      5.424751
  H      -0.772469     -2.607002      4.047966
  H      -1.607962     -1.264125      4.605662
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107491535205
  N      -3.386128     -4.164141      2.571807
  C      -3.309855     -5.099710      1.473281
  C      -2.521175     -6.298654      1.978114
  N      -3.155375     -6.760236      3.250166
  C      -4.308165     -7.661695      2.908147
  C      -5.555487     -7.223047      3.639055
  N      -5.563514     -5.777785      3.647927
  Mo     -3.875296     -4.881740      4.391022
  N      -1.827368     -5.133341      4.839054
  C      -1.199272     -6.453327      4.738313
  C      -2.163869     -7.459010      4.112766
  H      -0.892824     -6.842888      5.725246
  H      -0.273700     -6.397424      4.136430
  H      -2.731105     -7.972749      4.895562
  H      -1.623349     -8.214281      3.517705
  H      -6.435954     -7.629842      3.120777
  H      -5.585185     -7.635011      4.670123
  H      -4.483544     -7.586716      1.828089
  H      -4.036180     -8.702102      3.134733
  H      -2.821667     -4.663926      0.587916
  H      -4.330002     -5.424723      1.182924
  H      -1.486364     -6.010385      2.190153
  H      -2.504358     -7.130760      1.257381
  C      -3.010599     -2.784260      2.345686
  C      -4.116524     -1.957003      1.620806
  C      -4.171669     -0.515154      2.001408
  S      -4.382084      0.752250      0.991098
  C      -3.989205     -0.008170      3.402417
  O      -2.997866     -0.236268      4.101743
  C      -1.640114     -2.623039      1.691898
  C      -1.344869     -1.634646      0.746421
  C      -0.052074     -1.513519      0.225520
  C       0.972123     -2.370026      0.628439
  C       0.661093     -3.348681      1.564647
  F       1.633084     -4.210170      1.966891
  C      -0.611288     -3.490162      2.105484
  C      -6.861815     -5.117172      4.018225
  C      -7.122778     -3.896951      3.091371
  C      -6.908504     -2.541655      3.718087
  S      -7.893272     -1.223263      3.384665
  C      -5.799171     -2.355296      4.563171
  O      -4.869442     -3.245984      4.721906
  C      -8.030054     -6.084704      4.001709
  C      -8.486818     -6.620081      5.212010
  C      -9.549127     -7.527129      5.231310
  C     -10.168345     -7.920893      4.044470
  C      -9.698710     -7.378547      2.851981
  F     -10.288888     -7.749947      1.686179
  C      -8.649659     -6.470483      2.803787
  C      -1.453453     -4.319617      5.993870
  C      -2.323180     -4.706268      7.215251
  C      -3.760992     -4.854273      6.784206
  S      -4.305259     -6.407755      6.267912
  C      -4.732775     -3.903366      7.343118
  O      -5.952069     -3.989225      7.297713
  C       0.045031     -4.296798      6.306013
  C       1.002876     -4.353860      5.281011
  C       2.366580     -4.250783      5.561198
  C       2.812740     -4.087432      6.872179
  C       1.854759     -4.032028      7.878370
  F       2.258585     -3.878807      9.160291
  C       0.490257     -4.129889      7.626522
  H      -2.950958     -2.344175      3.347735
  H      -5.081836     -2.382228      1.937050
  H      -4.067241     -2.053199      0.526884
  H      -4.778027      0.692459      3.743409
  H      -2.115330     -0.950100      0.395111
  H       0.157948     -0.740462     -0.514779
  H       1.981124     -2.296585      0.223219
  H      -0.839925     -4.284469      2.820565
  H      -6.789668     -4.769855      5.063559
  H      -6.468468     -3.997215      2.207373
  H      -8.150492     -3.920004      2.710216
  H      -5.683408     -1.423845      5.129191
  H      -8.006264     -6.316155      6.143769
  H      -9.903597     -7.929546      6.181231
  H     -11.000991     -8.624206      4.032710
  H      -8.328372     -6.079556      1.837124
  H      -2.148427     -2.412077      6.506330
  H      -1.943061     -5.655225      7.618622
  H      -2.238146     -3.953935      8.016504
  H      -4.252902     -3.007939      7.823049
  H       0.693780     -4.505641      4.250170
  H       3.088715     -4.305018      4.745497
  H       3.871558     -4.009779      7.118679
  H      -0.193592     -4.083641      8.472493
  N      -1.956423     -2.941146      5.652491
  N      -1.057171     -2.121655      4.879131
  H      -0.181642     -1.869429      5.370169
  H      -0.791946     -2.618374      4.002232
  H      -1.598672     -1.270232      4.582414
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107621674390
  N      -3.385284     -4.162734      2.570366
  C      -3.311676     -5.098733      1.471632
  C      -2.521257     -6.296955      1.976477
  N      -3.155793     -6.759295      3.248536
  C      -4.308911     -7.659619      2.904233
  C      -5.557227     -7.221872      3.633866
  N      -5.564796     -5.776646      3.647298
  Mo     -3.874496     -4.882428      4.388932
  N      -1.826759     -5.134329      4.839464
  C      -1.199500     -6.454637      4.736524
  C      -2.164468     -7.459531      4.110109
  H      -0.892052     -6.845773      5.722439
  H      -0.275134     -6.397664      4.133117
  H      -2.731688     -7.974424      4.892165
  H      -1.624179     -8.213706      3.513491
  H      -6.436950     -7.626574      3.112569
  H      -5.589788     -7.637148      4.663530
  H      -4.482884     -7.582880      1.824085
  H      -4.037848     -8.700658      3.129140
  H      -2.824986     -4.663488      0.585116
  H      -4.332500     -5.422900      1.183386
  H      -1.488009     -6.004271      2.190088
  H      -2.500670     -7.129847      1.256781
  C      -3.003165     -2.784195      2.343932
  C      -4.111926     -1.953604      1.626724
  C      -4.158363     -0.511831      2.008201
  S      -4.347481      0.760423      0.999754
  C      -3.984838     -0.011099      3.412682
  O      -3.000530     -0.246737      4.119091
  C      -1.636557     -2.628374      1.681100
  C      -1.349782     -1.657081      0.715452
  C      -0.059915     -1.541272      0.185747
  C       0.969644     -2.386029      0.599933
  C       0.666860     -3.347865      1.556168
  F       1.643556     -4.198347      1.970222
  C      -0.602949     -3.483475      2.103799
  C      -6.862962     -5.116389      4.017369
  C      -7.122952     -3.893625      3.093575
  C      -6.910778     -2.541364      3.727309
  S      -7.899673     -1.223469      3.404410
  C      -5.800196     -2.358117      4.571238
  O      -4.868960     -3.248654      4.723358
  C      -8.031517     -6.083464      3.998940
  C      -8.487115     -6.622467      5.208126
  C      -9.549858     -7.528993      5.225835
  C     -10.170915     -7.918486      4.038519
  C      -9.702559     -7.372467      2.847227
  F     -10.294600     -7.739519      1.680977
  C      -8.652918     -6.464955      2.800625
  C      -1.455123     -4.324259      5.997924
  C      -2.321475     -4.719455      7.218652
  C      -3.759953     -4.865006      6.789618
  S      -4.304353     -6.414018      6.263812
  C      -4.730727     -3.914267      7.349372
  O      -5.950314     -3.999540      7.305327
  C       0.044071     -4.294696      6.308630
  C       1.002675     -4.347509      5.284233
  C       2.365859     -4.235758      5.565132
  C       2.810672     -4.067655      6.875855
  C       1.851889     -4.015786      7.881406
  F       2.253987     -3.857332      9.163186
  C       0.488201     -4.122010      7.628943
  H      -2.936885     -2.344996      3.345846
  H      -5.075471     -2.376156      1.951934
  H      -4.071262     -2.051660      0.532721
  H      -4.757870      0.713918      3.738561
  H      -2.124887     -0.981544      0.357031
  H       0.144022     -0.781548     -0.569906
  H       1.976597     -2.316061      0.188985
  H      -0.823191     -4.266796      2.834150
  H      -6.791135     -4.770859      5.063319
  H      -6.466201     -3.989101      2.210934
  H      -8.149845     -3.915732      2.710151
  H      -5.683483     -1.429076      5.140981
  H      -8.005440     -6.321496      6.140260
  H      -9.903331     -7.934309      6.174899
  H     -11.004107     -8.621131      4.025500
  H      -8.332688     -6.071162      1.834782
  H      -2.164316     -2.421274      6.525664
  H      -1.939636     -5.670918      7.614298
  H      -2.235486     -3.972332      8.024556
  H      -4.249970     -3.026207      7.842095
  H       0.695842     -4.501706      4.252967
  H       3.088563     -4.286317      4.749760
  H       3.868877     -3.983212      7.122722
  H      -0.196092     -4.077171      8.474637
  N      -1.966846     -2.943070      5.665775
  N      -1.063885     -2.115223      4.905118
  H      -0.196649     -1.858208      5.408588
  H      -0.782789     -2.612087      4.033993
  H      -1.607185     -1.267488      4.601757
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107638716249
  N      -3.382932     -4.162743      2.570836
  C      -3.308195     -5.098488      1.471747
  C      -2.518390     -6.296624      1.977497
  N      -3.155645     -6.759639      3.247976
  C      -4.309619     -7.657505      2.900193
  C      -5.557441     -7.221073      3.631353
  N      -5.564288     -5.775900      3.648267
  Mo     -3.873047     -4.883425      4.388715
  N      -1.826491     -5.138362      4.840611
  C      -1.202642     -6.460661      4.742355
  C      -2.166482     -7.463060      4.109482
  H      -0.903522     -6.852483      5.730604
  H      -0.274030     -6.406291      4.145388
  H      -2.735548     -7.981233      4.888002
  H      -1.625049     -8.214941      3.511040
  H      -6.437535     -7.624155      3.109451
  H      -5.589790     -7.638881      4.659989
  H      -4.483466     -7.576311      1.820359
  H      -4.039670     -8.699729      3.120961
  H      -2.820055     -4.663047      0.586109
  H      -4.328622     -5.421985      1.181500
  H      -1.486116     -6.002782      2.194247
  H      -2.495182     -7.129505      1.257858
  C      -3.001484     -2.783950      2.343877
  C      -4.111653     -1.955624      1.626311
  C      -4.163637     -0.513929      2.008076
  S      -4.359825      0.756796      0.998888
  C      -3.988013     -0.012184      3.412006
  O      -3.003990     -0.248927      4.118381
  C      -1.634770     -2.626731      1.681188
  C      -1.349683     -1.657076      0.713252
  C      -0.059971     -1.540102      0.183316
  C       0.971312     -2.382082      0.599236
  C       0.670431     -3.342266      1.557726
  F       1.648420     -4.190119      1.974000
  C      -0.599302     -3.478589      2.105140
  C      -6.862409     -5.114749      4.016862
  C      -7.121351     -3.892673      3.092053
  C      -6.905904     -2.540111      3.724041
  S      -7.889722     -1.219508      3.396217
  C      -5.797232     -2.358626      4.570784
  O      -4.867386     -3.250163      4.725864
  C      -8.031306     -6.081460      3.999392
  C      -8.484595     -6.621759      5.208907
  C      -9.547487     -7.528048      5.227743
  C     -10.171200     -7.915890      4.041259
  C      -9.705277     -7.368465      2.849678
  F     -10.300061     -7.733679      1.684253
  C      -8.655396     -6.461247      2.801955
  C      -1.456097     -4.327872      5.998965
  C      -2.321120     -4.723975      7.220436
  C      -3.759754     -4.869548      6.792186
  S      -4.303015     -6.417376      6.263223
  C      -4.730618     -3.919137      7.351838
  O      -5.950270     -4.003635      7.306248
  C       0.043348     -4.295623      6.308258
  C       1.001131     -4.354357      5.283474
  C       2.364516     -4.239947      5.562665
  C       2.810254     -4.063579      6.871965
  C       1.852237     -4.006379      7.877979
  F       2.255245     -3.839950      9.158439
  C       0.488429     -4.114954      7.627225
  H      -2.935976     -2.344141      3.345478
  H      -5.074384     -2.380863      1.950628
  H      -4.070143     -2.053481      0.532334
  H      -4.757828      0.717118      3.735875
  H      -2.126095     -0.983790      0.353523
  H       0.142655     -0.781714     -0.574031
  H       1.978110     -2.311022      0.188083
  H      -0.816334     -4.260481      2.837998
  H      -6.790806     -4.768153      5.062445
  H      -6.466247     -3.989894      2.208385
  H      -8.148904     -3.913092      2.710203
  H      -5.680574     -1.429435      5.140291
  H      -8.001001     -6.321883      6.140399
  H      -9.899083     -7.934420      6.177055
  H     -11.004675     -8.618214      4.029128
  H      -8.337195     -6.066401      1.835876
  H      -2.171279     -2.426191      6.525565
  H      -1.938814     -5.675603      7.615180
  H      -2.234602     -3.977247      8.026612
  H      -4.250017     -3.032463      7.847277
  H       0.693641     -4.515245      4.253354
  H       3.086545     -4.294874      4.746986
  H       3.868586     -3.976948      7.117524
  H      -0.195230     -4.065415      8.473157
  N      -1.970386     -2.947939      5.666612
  N      -1.068053     -2.117296      4.908383
  H      -0.202921     -1.857380      5.414169
  H      -0.782602     -2.613940      4.038705
  H      -1.612072     -1.271054      4.602781
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107675286806
  N      -3.375407     -4.164850      2.572360
  C      -3.296173     -5.099753      1.472382
  C      -2.510857     -6.298894      1.981548
  N      -3.157782     -6.762682      3.246767
  C      -4.315261     -7.651798      2.888725
  C      -5.560318     -7.218184      3.625982
  N      -5.563612     -5.773265      3.652330
  Mo     -3.869541     -4.886956      4.387950
  N      -1.825863     -5.153870      4.842323
  C      -1.216473     -6.484187      4.763060
  C      -2.177019     -7.477175      4.108663
  H      -0.948256     -6.876799      5.760025
  H      -0.272645     -6.442211      4.189968
  H      -2.753205     -8.005033      4.875317
  H      -1.632404     -8.222487      3.505034
  H      -6.442604     -7.615962      3.103780
  H      -5.590587     -7.642787      4.651891
  H      -4.489560     -7.556607      1.810127
  H      -4.049380     -8.697742      3.096572
  H      -2.801285     -4.663902      0.590623
  H      -4.315132     -5.419994      1.173504
  H      -1.480705     -6.004827      2.208166
  H      -2.481810     -7.131538      1.261807
  C      -2.999418     -2.784821      2.342169
  C      -4.109684     -1.965881      1.616536
  C      -4.181068     -0.524700      1.999149
  S      -4.413860      0.737959      0.987190
  C      -3.995351     -0.018301      3.400303
  O      -3.007483     -0.254043      4.101718
  C      -1.630906     -2.621715      1.684488
  C      -1.346227     -1.643367      0.724821
  C      -0.055551     -1.517337      0.199841
  C       0.977761     -2.358582      0.612356
  C       0.677737     -3.327024      1.562702
  F       1.657588     -4.173644      1.976475
  C      -0.593588     -3.472823      2.104412
  C      -6.861214     -5.108091      4.015269
  C      -7.116753     -3.890525      3.084528
  C      -6.887131     -2.535008      3.705309
  S      -7.847483     -1.203510      3.350802
  C      -5.785330     -2.357872      4.561727
  O      -4.862416     -3.253803      4.732753
  C      -8.030924     -6.073974      4.003285
  C      -8.475412     -6.616801      5.215066
  C      -9.537964     -7.523216      5.239824
  C     -10.170612     -7.908394      4.057143
  C      -9.713697     -7.358261      2.863395
  F     -10.317583     -7.720329      1.701711
  C      -8.663893     -6.451146      2.809764
  C      -1.456963     -4.341357      5.999671
  C      -2.317873     -4.738668      7.223950
  C      -3.757377     -4.883197      6.798435
  S      -4.299073     -6.427669      6.261898
  C      -4.727296     -3.931379      7.356353
  O      -5.947150     -4.012632      7.307346
  C       0.043307     -4.300151      6.304701
  C       0.998925     -4.364921      5.278402
  C       2.362398     -4.240332      5.553441
  C       2.810077     -4.047668      6.859732
  C       1.854009     -3.984183      7.867243
  F       2.258965     -3.801255      9.144815
  C       0.490278     -4.102308      7.620675
  H      -2.941024     -2.340533      3.341961
  H      -5.071962     -2.399663      1.930898
  H      -4.058980     -2.062178      0.522760
  H      -4.758329      0.719062      3.721846
  H      -2.124193     -0.970030      0.368502
  H       0.146728     -0.752198     -0.550778
  H       1.985535     -2.280175      0.204931
  H      -0.806761     -4.259725      2.833475
  H      -6.789965     -4.756098      5.058959
  H      -6.469431     -3.997661      2.196285
  H      -8.147251     -3.904928      2.710038
  H      -5.668365     -1.426203      5.127081
  H      -7.985099     -6.318618      6.143582
  H      -9.882496     -7.931672      6.190832
  H     -11.004286     -8.610550      4.049678
  H      -8.353075     -6.054540      1.842019
  H      -2.190745     -2.445390      6.525929
  H      -1.934644     -5.690442      7.617298
  H      -2.228947     -3.992052      8.029861
  H      -4.245935     -3.048751      7.858410
  H       0.689617     -4.536176      4.250504
  H       3.082833     -4.299346      4.736672
  H       3.868450     -3.952748      7.102037
  H      -0.191932     -4.046583      8.467412
  N      -1.981228     -2.963654      5.666571
  N      -1.080156     -2.128684      4.912434
  H      -0.215357     -1.870267      5.419976
  H      -0.793003     -2.623819      4.042389
  H      -1.622533     -1.281728      4.607954
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107690082509
  N      -3.373040     -4.164232      2.572864
  C      -3.291749     -5.098588      1.472336
  C      -2.508682     -6.298558      1.982335
  N      -3.159080     -6.762829      3.245320
  C      -4.318019     -7.647999      2.883098
  C      -5.561020     -7.216003      3.624531
  N      -5.563482     -5.771172      3.654428
  Mo     -3.868765     -4.886997      4.387621
  N      -1.826386     -5.159973      4.842729
  C      -1.223889     -6.493829      4.773319
  C      -2.181878     -7.482308      4.107245
  H      -0.971902     -6.886553      5.774606
  H      -0.272128     -6.457595      4.213326
  H      -2.761273     -8.015509      4.867736
  H      -1.635114     -8.223915      3.501029
  H      -6.444878     -7.612157      3.103816
  H      -5.588300     -7.643029      4.649526
  H      -4.493473     -7.546005      1.805310
  H      -4.053585     -8.695568      3.084538
  H      -2.793850     -4.662361      0.592502
  H      -4.309991     -5.417381      1.169366
  H      -1.479013     -6.005663      2.212436
  H      -2.478428     -7.130683      1.261997
  C      -2.998961     -2.783554      2.341227
  C      -4.106506     -1.967158      1.609893
  C      -4.185853     -0.526056      1.992581
  S      -4.431620      0.732108      0.977999
  C      -3.995758     -0.016954      3.392211
  O      -3.007837     -0.254916      4.092952
  C      -1.628954     -2.617459      1.687354
  C      -1.343472     -1.632811      0.734321
  C      -0.051996     -1.501826      0.212645
  C       0.981734     -2.344287      0.621895
  C       0.681243     -3.318671      1.565900
  F       1.661459     -4.166124      1.976955
  C      -0.590963     -3.469239      2.104398
  C      -6.861260     -5.105844      4.016223
  C      -7.118274     -3.890538      3.083476
  C      -6.881869     -2.533358      3.698084
  S      -7.831710     -1.197471      3.330611
  C      -5.781943     -2.356605      4.556894
  O      -4.862018     -3.254186      4.736054
  C      -8.029811     -6.073171      4.007211
  C      -8.468674     -6.618316      5.220031
  C      -9.529517     -7.526602      5.247745
  C     -10.166131     -7.911337      4.067027
  C      -9.714824     -7.358893      2.872239
  F     -10.322665     -7.720387      1.712465
  C      -8.666694     -6.449979      2.815674
  C      -1.458494     -4.345318      5.998730
  C      -2.318762     -4.740471      7.224439
  C      -3.758288     -4.885827      6.799473
  S      -4.297798     -6.430337      6.261402
  C      -4.728723     -3.934715      7.357654
  O      -5.948526     -4.015948      7.307778
  C       0.041651     -4.302796      6.303226
  C       0.996786     -4.379038      5.277322
  C       2.360519     -4.254441      5.550907
  C       2.808769     -4.050245      6.855274
  C       1.853096     -3.975818      7.862459
  F       2.258748     -3.781860      9.138177
  C       0.489101     -4.093956      7.617349
  H      -2.944385     -2.337283      3.340209
  H      -5.070038     -2.403178      1.916766
  H      -4.048864     -2.062209      0.516294
  H      -4.756718      0.722606      3.713374
  H      -2.121641     -0.958399      0.380305
  H       0.150613     -0.731831     -0.532903
  H       1.990137     -2.262047      0.216821
  H      -0.803376     -4.259933      2.829007
  H      -6.789618     -4.751798      5.059138
  H      -6.476778     -4.002025      2.191549
  H      -8.151005     -3.903096      2.714938
  H      -5.664515     -1.422984      5.118935
  H      -7.975234     -6.320498      6.147009
  H      -9.869630     -7.936898      6.199550
  H     -10.998613     -8.614928      4.061908
  H      -8.360355     -6.051773      1.847166
  H      -2.197178     -2.449208      6.517575
  H      -1.935574     -5.691520      7.619532
  H      -2.229186     -3.992378      8.028875
  H      -4.247770     -3.051859      7.859832
  H       0.686434     -4.559389      4.251295
  H       3.080713     -4.322614      4.734640
  H       3.867370     -3.955001      7.096476
  H      -0.192907     -4.029638      8.463642
  N      -1.983572     -2.970065      5.661034
  N      -1.083186     -2.134231      4.907892
  H      -0.217981     -1.877017      5.415360
  H      -0.796912     -2.629113      4.037169
  H      -1.624166     -1.286161      4.604163
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107704109433
  N      -3.372106     -4.164926      2.575884
  C      -3.289375     -5.098478      1.474613
  C      -2.508009     -6.299542      1.984173
  N      -3.159988     -6.764370      3.245965
  C      -4.320191     -7.646757      2.881475
  C      -5.561421     -7.215865      3.626239
  N      -5.562938     -5.771084      3.658714
  Mo     -3.868071     -4.888231      4.390041
  N      -1.825407     -5.165856      4.843278
  C      -1.228532     -6.502373      4.781301
  C      -2.184927     -7.487441      4.107300
  H      -0.987830     -6.894710      5.785612
  H      -0.271490     -6.470642      4.230349
  H      -2.766231     -8.024370      4.863737
  H      -1.637037     -8.226396      3.498910
  H      -6.446518     -7.610681      3.106763
  H      -5.586369     -7.644585      4.650572
  H      -4.496943     -7.539891      1.804381
  H      -4.056795     -8.695480      3.078244
  H      -2.789526     -4.661473      0.596243
  H      -4.307087     -5.416128      1.168673
  H      -1.478078     -6.008598      2.215517
  H      -2.478378     -7.130849      1.262828
  C      -3.000678     -2.783719      2.343275
  C      -4.108012     -1.970187      1.609405
  C      -4.192922     -0.528675      1.991050
  S      -4.452753      0.724780      0.974203
  C      -3.995700     -0.016435      3.388585
  O      -3.004396     -0.252889      4.085088
  C      -1.629453     -2.615655      1.691892
  C      -1.342418     -1.625370      0.745140
  C      -0.050288     -1.491287      0.226007
  C       0.982670     -2.336452      0.631489
  C       0.680630     -3.316475      1.569053
  F       1.660249     -4.166682      1.975882
  C      -0.592078     -3.470133      2.105793
  C      -6.861236     -5.104280      4.016491
  C      -7.116313     -3.890908      3.080970
  C      -6.874812     -2.532284      3.690307
  S      -7.815893     -1.192962      3.311644
  C      -5.778436     -2.356285      4.553489
  O      -4.861750     -3.255641      4.740763
  C      -8.030024     -6.071380      4.007397
  C      -8.468088     -6.617469      5.220097
  C      -9.528822     -7.525860      5.247786
  C     -10.166288     -7.909618      4.067187
  C      -9.715970     -7.356035      2.872574
  F     -10.324735     -7.716397      1.712950
  C      -8.667865     -6.447064      2.816029
  C      -1.457301     -4.348793      5.997415
  C      -2.316126     -4.741642      7.224935
  C      -3.755987     -4.888330      6.801394
  S      -4.294568     -6.433498      6.264121
  C      -4.726559     -3.937369      7.359773
  O      -5.946305     -4.019100      7.310594
  C       0.042989     -4.303429      6.300604
  C       0.997353     -4.384039      5.274376
  C       2.361123     -4.256575      5.546268
  C       2.810095     -4.045021      6.849236
  C       1.855112     -3.965912      7.856731
  F       2.261479     -3.764292      9.131042
  C       0.491058     -4.086747      7.613272
  H      -2.948576     -2.336417      3.341848
  H      -5.071787     -2.408087      1.913266
  H      -4.047678     -2.065218      0.515921
  H      -4.757336      0.720868      3.713267
  H      -2.119960     -0.948992      0.393606
  H       0.153283     -0.716823     -0.514633
  H       1.991606     -2.252203      0.228170
  H      -0.805705     -4.265626      2.824990
  H      -6.791288     -4.748209      5.058798
  H      -6.477665     -4.006618      2.187527
  H      -8.150084     -3.901464      2.715131
  H      -5.660988     -1.420987      5.112756
  H      -7.973990     -6.320414      6.146969
  H      -9.868243     -7.936989      6.199476
  H     -10.998726     -8.613261      4.062091
  H      -8.362358     -6.048009      1.847613
  H      -2.201807     -2.453736      6.510352
  H      -1.932214     -5.691604      7.621889
  H      -2.225935     -3.991659      8.027512
  H      -4.245649     -3.053264      7.859855
  H       0.685786     -4.568849      4.249557
  H       3.080887     -4.328044      4.729905
  H       3.868780     -3.947354      7.089107
  H      -0.190464     -4.018451      8.459660
  N      -1.984598     -2.975492      5.655593
  N      -1.083867     -2.140249      4.902205
  H      -0.217770     -1.885466      5.409371
  H      -0.800783     -2.635701      4.030538
  H      -1.623253     -1.290622      4.600365
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107711543462
  N      -3.373373     -4.163194      2.577836
  C      -3.290499     -5.096083      1.475946
  C      -2.509365     -6.297886      1.984070
  N      -3.160948     -6.763802      3.245549
  C      -4.321740     -7.645174      2.880779
  C      -5.561724     -7.215150      3.627899
  N      -5.563361     -5.770419      3.661668
  Mo     -3.868737     -4.887643      4.391785
  N      -1.824921     -5.167666      4.842798
  C      -1.230600     -6.505228      4.783595
  C      -2.186403     -7.488480      4.106064
  H      -0.994224     -6.897573      5.788965
  H      -0.271609     -6.475123      4.236029
  H      -2.768294     -8.027031      4.860940
  H      -1.638269     -8.226183      3.496413
  H      -6.447671     -7.609616      3.109692
  H      -5.584651     -7.644531      4.652021
  H      -4.499879     -7.536174      1.804129
  H      -4.058474     -8.694351      3.075307
  H      -2.790522     -4.658280      0.598047
  H      -4.308141     -5.413327      1.169331
  H      -1.478903     -6.008220      2.214795
  H      -2.480974     -7.128217      1.261541
  C      -3.000794     -2.782203      2.345055
  C      -4.106524     -1.967290      1.610872
  C      -4.187349     -0.524989      1.991022
  S      -4.444284      0.727697      0.972700
  C      -3.990521     -0.013100      3.388681
  O      -3.000601     -0.252020      4.086295
  C      -1.629417     -2.615809      1.693443
  C      -1.341687     -1.625659      0.746872
  C      -0.049638     -1.492723      0.227205
  C       0.982483     -2.339107      0.632089
  C       0.679569     -3.319146      1.569323
  F       1.658495     -4.170775      1.975024
  C      -0.592869     -3.471580      2.107106
  C      -6.862401     -5.104396      4.017885
  C      -7.118228     -3.891038      3.082711
  C      -6.876088     -2.532470      3.691711
  S      -7.816377     -1.192651      3.311911
  C      -5.779790     -2.356124      4.554596
  O      -4.863685     -3.255866      4.743994
  C      -8.030268     -6.072621      4.007307
  C      -8.468276     -6.620504      5.219202
  C      -9.528102     -7.529997      5.245414
  C     -10.164617     -7.913163      4.064104
  C      -9.714262     -7.357907      2.870286
  F     -10.322026     -7.717718      1.709976
  C      -8.667089     -6.447772      2.815225
  C      -1.456975     -4.349415      5.996068
  C      -2.315098     -4.741107      7.224428
  C      -3.755145     -4.889228      6.801810
  S      -4.292479     -6.435239      6.265109
  C      -4.726351     -3.939607      7.361714
  O      -5.945978     -4.023167      7.314475
  C       0.043260     -4.302538      6.299263
  C       0.997812     -4.387705      5.273619
  C       2.361488     -4.259028      5.545230
  C       2.810157     -4.041450      6.847330
  C       1.854959     -3.957496      7.854234
  F       2.260964     -3.749683      9.127667
  C       0.490967     -4.079580      7.611032
  H      -2.948154     -2.334986      3.343619
  H      -5.071306     -2.402442      1.915338
  H      -4.046719     -2.063584      0.517458
  H      -4.751537      0.724911      3.713232
  H      -2.118645     -0.948448      0.395595
  H       0.154327     -0.718196     -0.513258
  H       1.991404     -2.256042      0.228493
  H      -0.807964     -4.268558      2.824497
  H      -6.793574     -4.748503      5.060333
  H      -6.480948     -4.006479      2.188263
  H      -8.152594     -3.901669      2.718569
  H      -5.661733     -1.420032      5.112431
  H      -7.974853     -6.324014      6.146622
  H      -9.867559     -7.942491      6.196498
  H     -10.996300     -8.617689      4.057889
  H      -8.361460     -6.047450      1.847380
  H      -2.206633     -2.455532      6.505812
  H      -1.930323     -5.690280      7.622455
  H      -2.225013     -3.990022      8.025952
  H      -4.245908     -3.054410      7.860375
  H       0.686008     -4.576407      4.249602
  H       3.081567     -4.334176      4.729475
  H       3.868801     -3.942682      7.086938
  H      -0.190729     -4.007339      8.456963
  N      -1.985308     -2.976931      5.651899
  N      -1.082576     -2.141905      4.900349
  H      -0.217711     -1.888294      5.410025
  H      -0.800132     -2.639000      4.029314
  H      -1.621023     -1.291603      4.598512
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107719716468
  N      -3.373386     -4.162776      2.580416
  C      -3.289848     -5.095497      1.478321
  C      -2.508965     -6.297841      1.985735
  N      -3.161115     -6.764813      3.246351
  C      -4.322729     -7.644530      2.880571
  C      -5.561552     -7.215130      3.629865
  N      -5.562823     -5.770440      3.665142
  Mo     -3.868371     -4.888323      4.394265
  N      -1.823589     -5.171623      4.843454
  C      -1.233067     -6.510950      4.788826
  C      -2.188218     -7.491738      4.106696
  H      -1.003232     -6.903086      5.795830
  H      -0.271194     -6.483968      4.246238
  H      -2.771649     -8.031783      4.859327
  H      -1.639704     -8.228359      3.496116
  H      -6.448299     -7.608892      3.112621
  H      -5.582919     -7.645271      4.653731
  H      -4.501899     -7.532937      1.804348
  H      -4.060080     -8.694340      3.072526
  H      -2.789688     -4.657221      0.600784
  H      -4.307319     -5.412674      1.171035
  H      -1.478253     -6.009199      2.216714
  H      -2.481065     -7.127292      1.262142
  C      -3.000379     -2.781770      2.347483
  C      -4.106753     -1.966053      1.615200
  C      -4.185926     -0.523666      1.995768
  S      -4.438732      0.729847      0.977638
  C      -3.989519     -0.013341      3.393975
  O      -2.999655     -0.252365      4.091599
  C      -1.629877     -2.615462      1.693740
  C      -1.344339     -1.626837      0.744978
  C      -0.053263     -1.494020      0.222687
  C       0.980058     -2.339122      0.627122
  C       0.679281     -3.317765      1.566488
  F       1.659371     -4.168484      1.971451
  C      -0.591908     -3.469719      2.107193
  C      -6.862435     -5.103953      4.017929
  C      -7.116711     -3.890880      3.081945
  C      -6.873877     -2.532264      3.690444
  S      -7.812179     -1.191460      3.308195
  C      -5.779108     -2.356460      4.554949
  O      -4.864465     -3.257235      4.747435
  C      -8.030452     -6.072025      4.005497
  C      -8.470422     -6.619909      5.216664
  C      -9.530538     -7.529111      5.241180
  C     -10.165331     -7.912038      4.058866
  C      -9.712957     -7.356869      2.865769
  F     -10.318936     -7.716517      1.704487
  C      -8.665493     -6.446968      2.812400
  C      -1.456251     -4.351478      5.995517
  C      -2.313493     -4.741790      7.224959
  C      -3.753692     -4.891309      6.803140
  S      -4.289611     -6.438183      6.266903
  C      -4.725692     -3.943049      7.364335
  O      -5.945176     -4.028592      7.318905
  C       0.043965     -4.302043      6.298239
  C       0.998334     -4.391066      5.272773
  C       2.361921     -4.260101      5.543475
  C       2.810671     -4.035798      6.844424
  C       1.855599     -3.947246      7.851084
  F       2.261607     -3.732312      9.123335
  C       0.491647     -4.071683      7.608772
  H      -2.946145     -2.335369      3.346271
  H      -5.071282     -2.400633      1.921072
  H      -4.048512     -2.062138      0.521685
  H      -4.750769      0.724090      3.719335
  H      -2.122232     -0.950677      0.393759
  H       0.148765     -0.720607     -0.519463
  H       1.988235     -2.256357      0.221624
  H      -0.805528     -4.267255      2.824442
  H      -6.795460     -4.747485      5.060322
  H      -6.479447     -4.006873      2.187584
  H      -8.151107     -3.901036      2.717914
  H      -5.660521     -1.419713      5.111609
  H      -7.978283     -6.323691      6.144865
  H      -9.871580     -7.941575      6.191709
  H     -10.997175     -8.616359      4.051350
  H      -8.358185     -6.046721      1.845060
  H      -2.212350     -2.458300      6.500833
  H      -1.927961     -5.690118      7.624307
  H      -2.223473     -3.989416      8.025235
  H      -4.245870     -3.056992      7.862171
  H       0.685961     -4.583559      4.249650
  H       3.081993     -4.338495      4.728011
  H       3.869296     -3.935017      7.083276
  H      -0.189927     -3.995540      8.454474
  N      -1.986295     -2.980240      5.648001
  N      -1.080853     -2.143844      4.900745
  H      -0.218813     -1.890215      5.414926
  H      -0.796452     -2.642398      4.031182
  H      -1.618996     -1.293466      4.597872
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107721920161
  N      -3.373792     -4.161508      2.580897
  C      -3.289830     -5.094019      1.478665
  C      -2.508248     -6.296086      1.985656
  N      -3.160700     -6.764282      3.245514
  C      -4.322322     -7.643467      2.878626
  C      -5.560970     -7.215311      3.628946
  N      -5.562681     -5.770643      3.665966
  Mo     -3.868317     -4.888506      4.394674
  N      -1.823028     -5.172483      4.842944
  C      -1.233430     -6.512230      4.789423
  C      -2.188194     -7.492161      4.105401
  H      -1.005756     -6.904728      5.796783
  H      -0.270622     -6.485829      4.248454
  H      -2.772029     -8.033224      4.856969
  H      -1.639363     -8.227976      3.494137
  H      -6.447792     -7.608751      3.111624
  H      -5.581841     -7.646561      4.652356
  H      -4.501843     -7.530163      1.802635
  H      -4.059567     -8.693584      3.068790
  H      -2.790006     -4.655308      0.601138
  H      -4.307182     -5.411649      1.171474
  H      -1.477851     -6.006861      2.217357
  H      -2.479455     -7.125033      1.261488
  C      -2.999728     -2.780726      2.348146
  C      -4.106208     -1.964360      1.616419
  C      -4.183086     -0.522015      1.997103
  S      -4.431661      0.733147      0.980058
  C      -3.989121     -0.012879      3.396087
  O      -3.000349     -0.252073      4.095225
  C      -1.629274     -2.615508      1.693838
  C      -1.343773     -1.629466      0.742365
  C      -0.052840     -1.498398      0.219234
  C       0.980358     -2.342725      0.625413
  C       0.679630     -3.318850      1.567459
  F       1.659560     -4.168868      1.974224
  C      -0.591396     -3.468988      2.108953
  C      -6.862502     -5.104370      4.018133
  C      -7.116493     -3.890982      3.082343
  C      -6.874413     -2.532667      3.691881
  S      -7.813199     -1.191900      3.310473
  C      -5.779916     -2.357313      4.556664
  O      -4.865430     -3.258327      4.748904
  C      -8.030646     -6.072277      4.005367
  C      -8.470905     -6.620146      5.216433
  C      -9.531329     -7.528993      5.240748
  C     -10.166170     -7.911528      4.058335
  C      -9.713536     -7.356333      2.865342
  F     -10.319526     -7.715646      1.703965
  C      -8.665756     -6.446780      2.812173
  C      -1.456436     -4.352028      5.994888
  C      -2.312859     -4.742767      7.224727
  C      -3.753149     -4.893173      6.803531
  S      -4.287805     -6.440186      6.266385
  C      -4.725863     -3.946399      7.366097
  O      -5.945270     -4.033278      7.321359
  C       0.043768     -4.301211      6.297462
  C       0.998287     -4.394077      5.272494
  C       2.361819     -4.261778      5.542890
  C       2.810362     -4.032556      6.843055
  C       1.855156     -3.940634      7.849278
  F       2.260929     -3.720919      9.120776
  C       0.491254     -4.066274      7.607247
  H      -2.944974     -2.334729      3.347052
  H      -5.070620     -2.398179      1.923681
  H      -4.049137     -2.060741      0.522892
  H      -4.749885      0.725657      3.720095
  H      -2.121516     -0.953872      0.389844
  H       0.149140     -0.726958     -0.524981
  H       1.988431     -2.261326      0.219364
  H      -0.804888     -4.265370      2.827788
  H      -6.795884     -4.747956      5.060560
  H      -6.478570     -4.006239      2.188374
  H      -8.150667     -3.901286      2.717685
  H      -5.661407     -1.420970      5.114013
  H      -7.978720     -6.324224      6.144707
  H      -9.872578     -7.941474      6.191196
  H     -10.998276     -8.615539      4.050668
  H      -8.358214     -6.046488      1.844923
  H      -2.217466     -2.460387      6.499783
  H      -1.926536     -5.690812      7.623961
  H      -2.223033     -3.990243      8.024887
  H      -4.246683     -3.060491      7.864838
  H       0.686066     -4.590643      4.250094
  H       3.082003     -4.343023      4.727809
  H       3.868937     -3.930702      7.081671
  H      -0.190432     -3.987190      8.452604
  N      -1.988378     -2.981233      5.647193
  N      -1.082101     -2.143466      4.901911
  H      -0.222285     -1.887820      5.418758
  H      -0.795201     -2.643020      4.033929
  H      -1.621441     -1.294435      4.597132
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107723679115
  N      -3.373795     -4.161206      2.580657
  C      -3.289920     -5.093925      1.478610
  C      -2.508030     -6.295814      1.985597
  N      -3.160593     -6.764364      3.245186
  C      -4.322223     -7.643343      2.877893
  C      -5.560887     -7.215450      3.628389
  N      -5.562596     -5.770806      3.665817
  Mo     -3.868244     -4.888807      4.394629
  N      -1.822864     -5.172929      4.842790
  C      -1.233556     -6.512837      4.789602
  C      -2.188255     -7.492527      4.104998
  H      -1.006698     -6.905557      5.797065
  H      -0.270402     -6.486741      4.249259
  H      -2.772288     -8.033848      4.856206
  H      -1.639294     -8.228175      3.493635
  H      -6.447742     -7.608761      3.110982
  H      -5.581774     -7.646915      4.651710
  H      -4.501759     -7.529577      1.801955
  H      -4.059488     -8.693555      3.067576
  H      -2.790501     -4.655369      0.600778
  H      -4.307337     -5.411873      1.171980
  H      -1.477818     -6.006308      2.217640
  H      -2.478802     -7.124644      1.261279
  C      -2.999237     -2.780593      2.347910
  C      -4.105874     -1.963536      1.616696
  C      -4.181438     -0.521623      1.998455
  S      -4.425273      0.735913      0.983204
  C      -3.989410     -0.013710      3.398188
  O      -3.001194     -0.252667      4.098290
  C      -1.629030     -2.615740      1.692995
  C      -1.343692     -1.630617      0.740511
  C      -0.052894     -1.500238      0.216858
  C       0.980347     -2.344258      0.623495
  C       0.679844     -3.319430      1.566636
  F       1.659793     -4.169080      1.974026
  C      -0.591096     -3.468942      2.108452
  C      -6.862254     -5.104496      4.017991
  C      -7.115881     -3.890922      3.082182
  C      -6.874749     -2.532773      3.692590
  S      -7.814224     -1.192292      3.312055
  C      -5.780170     -2.357714      4.557365
  O      -4.865723     -3.258892      4.748836
  C      -8.030531     -6.072202      4.005344
  C      -8.471160     -6.619387      5.216581
  C      -9.531864     -7.527910      5.241120
  C     -10.166555     -7.910831      4.058757
  C      -9.713467     -7.356403      2.865574
  F     -10.319281     -7.716171      1.704244
  C      -8.665423     -6.447171      2.812176
  C      -1.456716     -4.352430      5.994881
  C      -2.312946     -4.743436      7.224785
  C      -3.753169     -4.893905      6.803460
  S      -4.287499     -6.440897      6.265820
  C      -4.726214     -3.947526      7.366182
  O      -5.945585     -4.034714      7.321173
  C       0.043465     -4.300860      6.297425
  C       0.998050     -4.393358      5.272486
  C       2.361514     -4.260252      5.542891
  C       2.809912     -4.030554      6.843023
  C       1.854640     -3.938924      7.849191
  F       2.260258     -3.718675      9.120645
  C       0.490804     -4.065321      7.607147
  H      -2.944063     -2.334855      3.346883
  H      -5.070164     -2.397269      1.924423
  H      -4.049207     -2.059280      0.523107
  H      -4.750675      0.724403      3.721924
  H      -2.121377     -0.955102      0.387736
  H       0.148954     -0.729542     -0.528167
  H       1.988299     -2.263324      0.217048
  H      -0.804337     -4.264622      2.828138
  H      -6.795610     -4.748125      5.060411
  H      -6.476865     -4.005760      2.188956
  H      -8.149628     -3.901487      2.716333
  H      -5.661677     -1.421780      5.115404
  H      -7.979050     -6.323183      6.144803
  H      -9.873426     -7.939829      6.191698
  H     -10.998879     -8.614587      4.051252
  H      -8.357527     -6.047420      1.844811
  H      -2.219188     -2.461046      6.499158
  H      -1.926550     -5.691430      7.624057
  H      -2.223250     -3.990871      8.024925
  H      -4.247328     -3.061863      7.865642
  H       0.685977     -4.590139      4.250087
  H       3.081721     -4.341156      4.727803
  H       3.868424     -3.928051      7.081644
  H      -0.190951     -3.986297      8.452451
  N      -1.989131     -2.981840      5.646846
  N      -1.082389     -2.143171      4.902911
  H      -0.223561     -1.886718      5.420933
  H      -0.793962     -2.642805      4.035573
  H      -1.622440     -1.294760      4.597162
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107724952050
  N      -3.373525     -4.161212      2.580544
  C      -3.289664     -5.094274      1.478761
  C      -2.507757     -6.296107      1.985897
  N      -3.160598     -6.764879      3.245216
  C      -4.322309     -7.643480      2.877373
  C      -5.560836     -7.215874      3.628250
  N      -5.562389     -5.771257      3.665995
  Mo     -3.868082     -4.889430      4.394803
  N      -1.822733     -5.174029      4.842677
  C      -1.234294     -6.514351      4.791064
  C      -2.188541     -7.493595      4.104891
  H      -1.009934     -6.907080      5.799109
  H      -0.270000     -6.489133      4.252779
  H      -2.772865     -8.035818      4.855212
  H      -1.639158     -8.228623      3.493153
  H      -6.447825     -7.609034      3.110938
  H      -5.581547     -7.647508      4.651508
  H      -4.501968     -7.528876      1.801551
  H      -4.059644     -8.693867      3.066204
  H      -2.790507     -4.656048      0.600622
  H      -4.307144     -5.412440      1.172563
  H      -1.477727     -6.006529      2.218484
  H      -2.478100     -7.124848      1.261460
  C      -2.999126     -2.780696      2.347669
  C      -4.105763     -1.963214      1.616323
  C      -4.180363     -0.521914      1.999474
  S      -4.419635      0.738427      0.986560
  C      -3.990253     -0.014970      3.399912
  O      -3.002090     -0.252826      4.100659
  C      -1.628910     -2.615512      1.692910
  C      -1.343334     -1.629985      0.740897
  C      -0.052408     -1.499407      0.217639
  C       0.980786     -2.343507      0.624195
  C       0.680121     -3.319033      1.566945
  F       1.659980     -4.168711      1.974386
  C      -0.591038     -3.468867      2.108163
  C      -6.861878     -5.104555      4.017650
  C      -7.114618     -3.891199      3.081156
  C      -6.874252     -2.532938      3.691770
  S      -7.813631     -1.192608      3.310782
  C      -5.780095     -2.358239      4.557255
  O      -4.866099     -3.259783      4.748753
  C      -8.030452     -6.071863      4.005338
  C      -8.471288     -6.618273      5.216852
  C      -9.532326     -7.526405      5.241833
  C     -10.167128     -7.909679      4.059651
  C      -9.713819     -7.356035      2.866187
  F     -10.319752     -7.716199      1.705039
  C      -8.665447     -6.447213      2.812335
  C      -1.456888     -4.353006      5.994481
  C      -2.312703     -4.743880      7.224715
  C      -3.752958     -4.894561      6.803557
  S      -4.286929     -6.441645      6.265642
  C      -4.726276     -3.948479      7.366341
  O      -5.945620     -4.035881      7.321037
  C       0.043315     -4.300563      6.296668
  C       0.997650     -4.394224      5.271616
  C       2.361154     -4.260443      5.541512
  C       2.809813     -4.028901      6.841233
  C       1.854777     -3.936198      7.847515
  F       2.260669     -3.714216      9.118583
  C       0.490904     -4.063232      7.605975
  H      -2.944345     -2.334945      3.346633
  H      -5.070017     -2.397144      1.923908
  H      -4.048836     -2.058027      0.522679
  H      -4.752948      0.721485      3.723913
  H      -2.120850     -0.954206      0.388249
  H       0.149610     -0.728446     -0.527070
  H       1.988816     -2.262343      0.217990
  H      -0.804205     -4.264383      2.827923
  H      -6.795399     -4.747803      5.059918
  H      -6.474161     -4.006325      2.189009
  H      -8.147770     -3.901940      2.713627
  H      -5.661737     -1.422590      5.115807
  H      -7.979039     -6.321812      6.144914
  H      -9.874037     -7.937728      6.192615
  H     -10.999721     -8.613121      4.052478
  H      -8.357401     -6.047994      1.844794
  H      -2.221938     -2.462197      6.497868
  H      -1.926184     -5.691636      7.624404
  H      -2.222951     -3.990915      8.024466
  H      -4.247624     -3.062883      7.866153
  H       0.685366     -4.592501      4.249572
  H       3.081125     -4.342241      4.726306
  H       3.868356     -3.925820      7.079473
  H      -0.190686     -3.983218      8.451309
  N      -1.990318     -2.982903      5.645745
  N      -1.083442     -2.143264      4.902899
  H      -0.225410     -1.885932      5.421744
  H      -0.793426     -2.642693      4.036015
  H      -1.624418     -1.295530      4.596219
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca E -7536.107723591665
  N      -3.373133     -4.161095      2.580636
  C      -3.289199     -5.094250      1.478910
  C      -2.507601     -6.296225      1.986101
  N      -3.161001     -6.765232      3.245071
  C      -4.323022     -7.643060      2.876400
  C      -5.561113     -7.215850      3.628133
  N      -5.562334     -5.771271      3.666626
  Mo     -3.867823     -4.889928      4.395075
  N      -1.822652     -5.175788      4.842609
  C      -1.235976     -6.516898      4.793409
  C      -2.189539     -7.495095      4.104490
  H      -1.015582     -6.909594      5.802380
  H      -0.269914     -6.493127      4.258347
  H      -2.774388     -8.038808      4.853335
  H      -1.639612     -8.229049      3.491970
  H      -6.448442     -7.608599      3.111106
  H      -5.581301     -7.647988      4.651194
  H      -4.502987     -7.526963      1.800794
  H      -4.060608     -8.693773      3.063763
  H      -2.789886     -4.656182      0.600776
  H      -4.306687     -5.412267      1.172550
  H      -1.477678     -6.006790      2.219362
  H      -2.477635     -7.124807      1.261497
  C      -2.999005     -2.780721      2.347457
  C      -4.105407     -1.962971      1.615611
  C      -4.179493     -0.522050      1.999601
  S      -4.416302      0.740007      0.988162
  C      -3.990525     -0.015428      3.400394
  O      -3.002348     -0.252603      4.101496
  C      -1.628567     -2.615467      1.693109
  C      -1.342257     -1.628910      0.742368
  C      -0.051030     -1.498012      0.219972
  C       0.981783     -2.342798      0.626087
  C       0.680386     -3.319429      1.567452
  F       1.659814     -4.169853      1.974327
  C      -0.591152     -3.469692      2.107722
  C      -6.861789     -5.104309      4.017845
  C      -7.114041     -3.891101      3.081011
  C      -6.873659     -2.532821      3.691608
  S      -7.812298     -1.192234      3.309911
  C      -5.779690     -2.358568      4.557496
  O      -4.866266     -3.260581      4.749346
  C      -8.030430     -6.071534      4.005645
  C      -8.470641     -6.618416      5.217183
  C      -9.531590     -7.526648      5.242344
  C     -10.166939     -7.909527      4.060327
  C      -9.714264     -7.355410      2.866848
  F     -10.320761     -7.715180      1.705873
  C      -8.665977     -6.446501      2.812815
  C      -1.456962     -4.353991      5.993903
  C      -2.312276     -4.744494      7.224630
  C      -3.752611     -4.895428      6.803817
  S      -4.286234     -6.442525      6.265600
  C      -4.726046     -3.949530      7.366640
  O      -5.945383     -4.036967      7.321123
  C       0.043248     -4.300329      6.295746
  C       0.997444     -4.395427      5.270736
  C       2.360923     -4.260427      5.540188
  C       2.809650     -4.026184      6.839403
  C       1.854715     -3.931990      7.845641
  F       2.260670     -3.707291      9.116216
  C       0.490877     -4.060159      7.604530
  H      -2.944785     -2.334657      3.346305
  H      -5.069768     -2.396943      1.922800
  H      -4.047948     -2.057249      0.521955
  H      -4.754238      0.719839      3.724557
  H      -2.119381     -0.952530      0.390043
  H       0.151561     -0.726223     -0.523725
  H       1.990034     -2.261343      0.220486
  H      -0.804806     -4.265681      2.826874
  H      -6.795480     -4.747376      5.060040
  H      -6.472982     -4.006581      2.189335
  H      -8.146925     -3.901711      2.712740
  H      -5.661146     -1.422993      5.116137
  H      -7.977948     -6.322259      6.145105
  H      -9.872806     -7.938344      6.193142
  H     -10.999486     -8.613024      4.053288
  H      -8.358432     -6.046902      1.845273
  H      -2.224826     -2.463737      6.495297
  H      -1.925598     -5.691978      7.624781
  H      -2.222320     -3.991054      8.023900
  H      -4.247498     -3.063915      7.866548
  H       0.685039     -4.595536      4.249104
  H       3.080786     -4.343308      4.724997
  H       3.868169     -3.922073      7.077302
  H      -0.190678     -3.978778      8.449769
  N      -1.991320     -2.984607      5.643975
  N      -1.084620     -2.144191      4.901899
  H      -0.227110     -1.886285      5.421315
  H      -0.793501     -2.643383      4.035231
  H      -1.626092     -1.296815      4.594629
