74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670601-zKhN/orca E -7940.782370992375
  N      -3.594161     -3.548018      2.184704
  C      -2.662025     -4.037044      1.192712
  C      -2.225917     -5.416228      1.688635
  N      -3.312822     -5.963942      2.527458
  C      -4.440036     -6.412753      1.660472
  C      -5.738378     -6.458520      2.471561
  N      -5.718934     -5.276486      3.303440
  Mo     -4.118449     -4.342829      3.851789
  N      -3.342927     -5.655610      5.001446
  C      -2.297167     -6.590247      4.637344
  C      -2.795141     -7.125182      3.296600
  H      -2.203913     -7.398355      5.368517
  H      -1.324639     -6.087850      4.540148
  H      -3.612198     -7.828083      3.482088
  H      -2.007084     -7.637368      2.738772
  H      -6.597818     -6.463364      1.793075
  H      -5.798454     -7.355853      3.105493
  H      -4.566855     -5.706097      0.834866
  H      -4.207685     -7.394392      1.238493
  H      -1.790657     -3.383203      1.083774
  H      -3.158860     -4.081154      0.213602
  H      -1.329119     -5.325182      2.309416
  H      -2.013533     -6.087030      0.850295
  C      -4.036891     -2.235779      2.125898
  C      -3.180080     -1.135310      1.922808
  C      -3.659737      0.154722      2.025339
  C      -4.976190      0.373640      2.406800
  F      -5.403197      1.632676      2.577898
  C      -5.863246     -0.688432      2.579942
  C      -7.229888     -0.546206      3.130148
  O      -8.095012     -1.375228      2.969417
  C      -7.439375      0.653812      4.057075
  O      -8.372134      1.413854      3.946957
  C      -6.372017      0.792328      5.098019
  O      -5.387425      0.073740      5.198621
  Cl     -6.555853      2.215527      6.057960
  C      -5.399515     -1.984170      2.340625
  C      -6.843474     -4.786211      3.920868
  C      -8.144555     -5.302275      3.980133
  C      -9.092820     -4.643213      4.744772
  C      -8.775990     -3.499940      5.464375
  F      -9.711207     -2.936047      6.245032
  C      -7.488612     -2.949821      5.428658
  C      -7.053243     -1.718404      6.125337
  O      -7.739820     -0.687287      6.152091
  C      -5.663150     -1.733355      6.634603
  O      -4.836879     -2.631775      6.386493
  C      -5.257461     -0.588262      7.486296
  O      -5.911330      0.234816      8.047798
  Cl     -3.516686     -0.571574      7.660303
  C      -6.576114     -3.606739      4.627909
  C      -3.708417     -5.507241      6.329621
  C      -2.755795     -5.332469      7.352518
  C      -3.155560     -5.099188      8.651805
  C      -4.507463     -5.025275      8.952298
  F      -4.882106     -4.756363     10.212315
  C      -5.478530     -5.253127      7.976737
  C      -6.923791     -5.171253      8.231759
  O      -7.764802     -5.406328      7.394736
  C      -7.340028     -4.630268      9.603395
  O      -7.770802     -5.261992     10.520675
  C      -7.194082     -3.106140      9.586917
  O      -6.324479     -2.527383      8.995150
  Cl     -8.460654     -2.292020     10.417106
  C      -5.061147     -5.525560      6.670547
  H      -2.138295     -1.286271      1.681588
  H      -3.017023      1.004268      1.856849
  H      -6.141752     -2.775946      2.286915
  H      -8.419868     -6.202280      3.454632
  H     -10.100665     -5.020772      4.811971
  H      -5.566861     -3.160153      4.510997
  H      -1.700757     -5.378852      7.125628
  H      -2.434725     -4.951674      9.440350
  H      -5.828895     -5.800037      5.955779
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5670601-zKhN/orca E -7940.806310340825
  N      -3.595193     -3.566473      2.162829
  C      -2.666763     -4.063863      1.166768
  C      -2.234106     -5.442293      1.654625
  N      -3.319506     -5.991736      2.502165
  C      -4.461986     -6.434978      1.644927
  C      -5.750280     -6.478257      2.470226
  N      -5.728816     -5.296572      3.307229
  Mo     -4.115244     -4.369795      3.840317
  N      -3.326010     -5.691643      4.989111
  C      -2.281971     -6.624474      4.602222
  C      -2.793120     -7.156778      3.267703
  H      -2.179918     -7.436589      5.332377
  H      -1.307460     -6.122779      4.493813
  H      -3.610348     -7.860180      3.460291
  H      -2.009899     -7.669623      2.695678
  H      -6.618991     -6.479341      1.797861
  H      -5.804206     -7.383020      3.100289
  H      -4.592628     -5.722420      0.823479
  H      -4.234755     -7.419087      1.214854
  H      -1.789738     -3.412368      1.054285
  H      -3.169035     -4.105850      0.186853
  H      -1.333111     -5.356844      2.273139
  H      -2.026870     -6.115217      0.811338
  C      -4.029204     -2.244671      2.098710
  C      -3.145301     -1.159241      1.900063
  C      -3.587310      0.145863      1.981009
  C      -4.904573      0.400636      2.327879
  F      -5.299906      1.678840      2.462814
  C      -5.827461     -0.632922      2.498472
  C      -7.207442     -0.398864      2.999509
  O      -8.125575     -1.175290      2.817628
  C      -7.380208      0.860605      3.867072
  O      -8.248990      1.680939      3.648600
  C      -6.365619      0.983267      4.975038
  O      -5.464031      0.178390      5.196218
  Cl     -6.484498      2.496025      5.829073
  C      -5.394241     -1.952915      2.292482
  C      -6.849708     -4.803451      3.941696
  C      -8.148672     -5.325366      4.015906
  C      -9.092542     -4.673550      4.799634
  C      -8.767418     -3.533522      5.521561
  F      -9.700385     -2.982711      6.319238
  C      -7.484852     -2.963828      5.476555
  C      -7.119504     -1.720561      6.218134
  O      -7.912681     -0.765217      6.279457
  C      -5.727111     -1.603022      6.750440
  O      -4.808557     -2.400496      6.468489
  C      -5.440625     -0.469154      7.696129
  O      -6.194701      0.226238      8.311556
  Cl     -3.690506     -0.276678      7.927745
  C      -6.575025     -3.622876      4.654591
  C      -3.680175     -5.547269      6.330768
  C      -2.707387     -5.362023      7.337106
  C      -3.082358     -5.131062      8.648274
  C      -4.431304     -5.077469      8.977750
  F      -4.772489     -4.819195     10.253698
  C      -5.424857     -5.322372      8.023745
  C      -6.875975     -5.281297      8.303363
  O      -7.723333     -5.561781      7.476278
  C      -7.333765     -4.742819      9.669692
  O      -7.741250     -5.398218     10.593164
  C      -7.280254     -3.206989      9.643295
  O      -6.436751     -2.590404      9.044508
  Cl     -8.602108     -2.451117     10.475825
  C      -5.027181     -5.582856      6.704380
  H      -2.099396     -1.340662      1.671298
  H      -2.914517      0.980440      1.811386
  H      -6.156383     -2.727497      2.235106
  H      -8.427274     -6.230768      3.486624
  H     -10.103722     -5.059336      4.880911
  H      -5.569528     -3.172688      4.528967
  H      -1.651223     -5.396184      7.085539
  H      -2.341901     -4.973596      9.425865
  H      -5.805440     -5.867155      6.001543
