74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.827307342596
  N      -2.789988     -3.610643      2.413129
  C      -2.186444     -4.538684      1.463843
  C      -2.099678     -5.895717      2.134562
  N      -3.376484     -6.101931      2.830207
  C      -4.420342     -6.465454      1.853493
  C      -5.756811     -6.230134      2.530720
  N      -5.600474     -5.037440      3.355738
  Mo     -4.033825     -4.092750      3.876931
  N      -3.368322     -5.292435      5.262278
  C      -2.707189     -6.583226      5.089666
  C      -3.243205     -7.194670      3.812574
  H      -2.875889     -7.249104      5.940136
  H      -1.622584     -6.403781      5.033394
  H      -4.223458     -7.634334      4.009508
  H      -2.581087     -7.977525      3.429217
  H      -6.550480     -6.083763      1.788549
  H      -6.067963     -7.074538      3.162299
  H      -4.345372     -5.821815      0.973445
  H      -4.304290     -7.507458      1.537914
  H      -1.196272     -4.218802      1.133789
  H      -2.814862     -4.566588      0.561666
  H      -1.288273     -5.887313      2.869550
  H      -1.915598     -6.691914      1.404953
  C      -2.285835     -2.327187      2.305572
  C      -0.931855     -2.075929      2.076222
  C      -0.439740     -0.789443      1.868871
  C       1.003291     -0.635196      1.705719
  O       1.803747     -1.551045      1.674487
  C       1.519882      0.793286      1.571099
  O       2.040487      1.325066      0.658330
  F       1.360965      1.470202      2.752678
  C      -1.327436      0.309313      1.808692
  C      -2.650342      0.107843      2.065891
  C      -3.153530     -1.180698      2.387624
  C      -4.474113     -1.346548      2.799913
  O      -4.866944     -2.440280      3.328632
  C      -6.867648     -4.734625      3.915340
  C      -7.169629     -5.243345      5.175238
  C      -8.409146     -4.998126      5.759831
  C      -8.692546     -5.391510      7.165149
  O      -9.701181     -5.955235      7.538478
  C      -7.675998     -4.868255      8.138002
  O      -6.734873     -4.141559      7.917147
  F      -8.086463     -5.006947      9.426242
  C      -9.389989     -4.307250      5.044281
  C      -9.097067     -3.804938      3.793237
  C      -7.836344     -3.990371      3.217620
  C      -7.534008     -3.380596      1.911690
  O      -8.307549     -2.723325      1.262780
  C      -3.435076     -4.925751      6.606251
  C      -4.035354     -5.758900      7.540783
  C      -4.101656     -5.399522      8.884238
  C      -4.870853     -6.189439      9.860565
  O      -4.602643     -6.225770     11.059581
  C      -6.064907     -6.886152      9.331391
  O      -6.589324     -6.781969      8.239716
  F      -6.688494     -7.640015     10.273520
  C      -3.404652     -4.259601      9.329327
  C      -2.785401     -3.433156      8.430049
  C      -2.841727     -3.702497      7.045105
  C      -2.341350     -2.802870      6.069901
  O      -2.663790     -2.884215      4.857600
  H      -0.194011     -2.864741      2.117391
  H      -0.956740      1.296913      1.584316
  H      -3.339799      0.936923      2.074301
  H      -5.199538     -0.535600      2.713296
  H      -6.441863     -5.839659      5.708716
  H     -10.360562     -4.156217      5.489881
  H      -9.834687     -3.249655      3.233384
  H      -6.496891     -3.554107      1.556151
  H      -4.501631     -6.675661      7.216031
  H      -3.405386     -4.043069     10.386037
  H      -2.288638     -2.536654      8.766235
  H      -1.671163     -1.992788      6.373309
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.847125356095
  N      -2.765170     -3.609593      2.394910
  C      -2.154134     -4.542504      1.446211
  C      -2.054287     -5.900784      2.111511
  N      -3.335324     -6.132885      2.800328
  C      -4.380136     -6.497096      1.813421
  C      -5.725192     -6.278260      2.481542
  N      -5.591413     -5.081072      3.315609
  Mo     -4.016886     -4.125407      3.858981
  N      -3.366892     -5.336781      5.268464
  C      -2.693599     -6.626632      5.081607
  C      -3.204626     -7.228780      3.789864
  H      -2.876119     -7.306571      5.922489
  H      -1.603860     -6.446107      5.045077
  H      -4.190119     -7.671860      3.969857
  H      -2.533352     -8.011532      3.406786
  H      -6.517175     -6.135925      1.730272
  H      -6.032857     -7.135606      3.105682
  H      -4.301143     -5.843996      0.937391
  H      -4.250523     -7.539845      1.488628
  H      -1.164235     -4.209388      1.120500
  H      -2.779394     -4.579168      0.538527
  H      -1.246297     -5.886831      2.853816
  H      -1.855770     -6.696020      1.376918
  C      -2.279962     -2.307270      2.291679
  C      -0.929083     -2.045782      2.034015
  C      -0.445370     -0.751134      1.832931
  C       0.996148     -0.590209      1.634226
  O       1.811575     -1.505494      1.566980
  C       1.516566      0.843036      1.497765
  O       2.020314      1.376048      0.564525
  F       1.399840      1.508438      2.699016
  C      -1.346161      0.349640      1.812097
  C      -2.666632      0.138799      2.096966
  C      -3.160567     -1.160989      2.412299
  C      -4.471893     -1.329771      2.855431
  O      -4.869633     -2.449049      3.369327
  C      -6.847841     -4.751507      3.905750
  C      -7.105057     -5.208361      5.200187
  C      -8.325046     -4.930617      5.823072
  C      -8.562525     -5.267581      7.256797
  O      -9.568327     -5.814201      7.675370
  C      -7.516859     -4.700245      8.199642
  O      -6.600632     -3.965999      7.922052
  F      -7.919062     -4.790194      9.501998
  C      -9.331730     -4.258260      5.113398
  C      -9.078422     -3.798374      3.831009
  C      -7.835806     -4.015133      3.215616
  C      -7.571905     -3.453954      1.874991
  O      -8.372250     -2.806069      1.225177
  C      -3.478761     -4.962847      6.618227
  C      -4.111769     -5.798506      7.537552
  C      -4.214631     -5.445680      8.886414
  C      -5.000878     -6.244948      9.851033
  O      -4.743749     -6.279989     11.058841
  C      -6.204254     -6.955784      9.316235
  O      -6.733873     -6.852439      8.224493
  F      -6.811782     -7.719411     10.263161
  C      -3.528207     -4.300243      9.355088
  C      -2.887541     -3.466154      8.469074
  C      -2.902846     -3.734794      7.078378
  C      -2.381232     -2.823538      6.123539
  O      -2.672666     -2.894873      4.891891
  H      -0.185305     -2.840452      2.042793
  H      -0.984594      1.352159      1.593997
  H      -3.364760      0.973014      2.134375
  H      -5.201149     -0.514290      2.796520
  H      -6.351310     -5.785601      5.731909
  H     -10.291967     -4.079421      5.592238
  H      -9.836175     -3.249091      3.274962
  H      -6.547956     -3.657575      1.483495
  H      -4.568287     -6.721029      7.192056
  H      -3.556889     -4.082478     10.420001
  H      -2.400742     -2.558483      8.822339
  H      -1.728741     -2.001562      6.454082
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.857786876036
  N      -2.764557     -3.605902      2.381982
  C      -2.166445     -4.551045      1.429813
  C      -2.051422     -5.907077      2.095161
  N      -3.325970     -6.153893      2.797119
  C      -4.379480     -6.515132      1.809256
  C      -5.727215     -6.303465      2.466280
  N      -5.609619     -5.108397      3.312078
  Mo     -4.007318     -4.144550      3.868701
  N      -3.341367     -5.361686      5.307742
  C      -2.667741     -6.651504      5.088777
  C      -3.185575     -7.248496      3.796801
  H      -2.843263     -7.340116      5.928485
  H      -1.574342     -6.474353      5.039604
  H      -4.173026     -7.692408      3.979711
  H      -2.513673     -8.032130      3.404198
  H      -6.514267     -6.158338      1.704952
  H      -6.038587     -7.170935      3.081430
  H      -4.294710     -5.853309      0.937739
  H      -4.243978     -7.558716      1.476114
  H      -1.179698     -4.212771      1.093579
  H      -2.801326     -4.596097      0.526496
  H      -1.236131     -5.889638      2.832429
  H      -1.855071     -6.705186      1.356689
  C      -2.290115     -2.289771      2.281191
  C      -0.944438     -2.028192      1.981117
  C      -0.460678     -0.729447      1.783564
  C       0.974397     -0.571607      1.534472
  O       1.797906     -1.490511      1.420824
  C       1.510627      0.860521      1.394928
  O       1.990065      1.392083      0.437082
  F       1.449733      1.514671      2.614158
  C      -1.364275      0.379551      1.814984
  C      -2.678514      0.169088      2.143504
  C      -3.171527     -1.138407      2.455581
  C      -4.466368     -1.296782      2.946177
  O      -4.877399     -2.436932      3.453388
  C      -6.872145     -4.753177      3.898132
  C      -7.209988     -5.217776      5.179093
  C      -8.466993     -4.909243      5.734280
  C      -8.839276     -5.276513      7.134386
  O      -9.912038     -5.780414      7.433758
  C      -7.848777     -4.818701      8.206888
  O      -6.863637     -4.152438      8.044613
  F      -8.375644     -4.969574      9.465254
  C      -9.408740     -4.182552      4.980356
  C      -9.068862     -3.709784      3.720243
  C      -7.802801     -3.970928      3.168237
  C      -7.445148     -3.408231      1.847091
  O      -8.195592     -2.716774      1.158847
  C      -3.435249     -4.976341      6.668755
  C      -4.044559     -5.807649      7.616965
  C      -4.094208     -5.453610      8.976700
  C      -4.834825     -6.253110      9.978807
  O      -4.520392     -6.291669     11.178685
  C      -6.077497     -6.958034      9.498538
  O      -6.654968     -6.825931      8.434468
  F      -6.636059     -7.730501     10.467898
  C      -3.391680     -4.303187      9.423510
  C      -2.787763     -3.468201      8.508322
  C      -2.846262     -3.744729      7.116630
  C      -2.347544     -2.827474      6.158844
  O      -2.650866     -2.895490      4.920456
  H      -0.203594     -2.832916      1.949026
  H      -1.007007      1.392753      1.601677
  H      -3.375054      1.012264      2.221074
  H      -5.189669     -0.470687      2.928117
  H      -6.502787     -5.834746      5.739068
  H     -10.395274     -3.978681      5.409656
  H      -9.778029     -3.120219      3.128786
  H      -6.407905     -3.647352      1.504013
  H      -4.511677     -6.737744      7.285784
  H      -3.381073     -4.080721     10.494612
  H      -2.287165     -2.551002      8.842159
  H      -1.692776     -1.998927      6.483568
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.867941754754
  N      -2.740222     -3.605339      2.382433
  C      -2.138522     -4.557071      1.440786
  C      -2.019773     -5.909598      2.110979
  N      -3.297598     -6.173216      2.802888
  C      -4.348878     -6.534005      1.809541
  C      -5.704351     -6.327344      2.450374
  N      -5.601835     -5.131227      3.288448
  Mo     -3.987788     -4.168738      3.867545
  N      -3.347754     -5.391486      5.334709
  C      -2.670732     -6.674306      5.111677
  C      -3.167765     -7.263160      3.810204
  H      -2.862588     -7.369800      5.942931
  H      -1.576461     -6.501381      5.081456
  H      -4.160350     -7.702546      3.973488
  H      -2.494090     -8.047797      3.424798
  H      -6.482644     -6.187307      1.679248
  H      -6.018998     -7.195611      3.061909
  H      -4.253301     -5.870018      0.941610
  H      -4.205179     -7.575385      1.474988
  H      -1.152314     -4.215160      1.107633
  H      -2.767767     -4.610801      0.535080
  H      -1.213097     -5.887352      2.857117
  H      -1.810159     -6.706962      1.376058
  C      -2.286515     -2.285470      2.278226
  C      -0.953439     -2.010434      1.939639
  C      -0.484855     -0.707311      1.739293
  C       0.934198     -0.535244      1.443227
  O       1.765376     -1.442437      1.296660
  C       1.460335      0.896966      1.285171
  O       1.906050      1.423423      0.310971
  F       1.445220      1.552840      2.504383
  C      -1.394776      0.393629      1.813358
  C      -2.695095      0.169359      2.178683
  C      -3.173956     -1.144643      2.492148
  C      -4.450722     -1.299685      3.020789
  O      -4.871179     -2.443492      3.520088
  C      -6.847013     -4.752059      3.884957
  C      -7.157350     -5.170011      5.186086
  C      -8.395984     -4.829825      5.758913
  C      -8.742857     -5.163307      7.170878
  O      -9.817042     -5.641421      7.499597
  C      -7.715129     -4.713960      8.219538
  O      -6.716818     -4.084046      8.025653
  F      -8.189874     -4.904913      9.491790
  C      -9.345539     -4.109743      5.008741
  C      -9.028243     -3.673120      3.729992
  C      -7.780393     -3.970840      3.156299
  C      -7.443915     -3.448956      1.815500
  O      -8.200841     -2.760716      1.132235
  C      -3.476222     -5.004992      6.685533
  C      -4.109515     -5.836332      7.616230
  C      -4.184335     -5.489260      8.974732
  C      -4.933183     -6.299902      9.956706
  O      -4.651082     -6.334318     11.161751
  C      -6.154387     -7.033506      9.444529
  O      -6.695068     -6.920159      8.365239
  F      -6.700649     -7.837196     10.392173
  C      -3.499546     -4.335383      9.441004
  C      -2.880004     -3.496623      8.539957
  C      -2.900630     -3.773379      7.147574
  C      -2.381980     -2.846866      6.209701
  O      -2.650850     -2.903182      4.963438
  H      -0.211722     -2.809599      1.872613
  H      -1.053098      1.411042      1.602957
  H      -3.392551      1.005869      2.286456
  H      -5.168127     -0.471178      3.035342
  H      -6.440072     -5.771881      5.747651
  H     -10.315881     -3.878957      5.456107
  H      -9.738365     -3.084121      3.142308
  H      -6.423061     -3.711593      1.451286
  H      -4.568251     -6.764508      7.270110
  H      -3.514633     -4.113816     10.510213
  H      -2.394681     -2.577283      8.884147
  H      -1.748474     -2.012737      6.556925
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.875116708253
  N      -2.717205     -3.607950      2.387873
  C      -2.117789     -4.567013      1.455203
  C      -1.993281     -5.915505      2.131024
  N      -3.269694     -6.194909      2.818329
  C      -4.320588     -6.554875      1.824968
  C      -5.681080     -6.350153      2.455059
  N      -5.588404     -5.154712      3.282659
  Mo     -3.958090     -4.200722      3.874574
  N      -3.341046     -5.426426      5.365003
  C      -2.662592     -6.700908      5.135509
  C      -3.146508     -7.280849      3.828282
  H      -2.865113     -7.404785      5.957188
  H      -1.568069     -6.532898      5.118657
  H      -4.143080     -7.714964      3.976377
  H      -2.474089     -8.066767      3.446722
  H      -6.450643     -6.215332      1.674689
  H      -6.000297     -7.218037      3.063468
  H      -4.217460     -5.889410      0.960079
  H      -4.171269     -7.593739      1.488612
  H      -1.132878     -4.227290      1.118772
  H      -2.745868     -4.628857      0.550403
  H      -1.191972     -5.889173      2.881992
  H      -1.773888     -6.711326      1.398727
  C      -2.283925     -2.288693      2.280030
  C      -0.969213     -1.991191      1.893586
  C      -0.522743     -0.681962      1.692811
  C       0.874777     -0.487289      1.339052
  O       1.711050     -1.377345      1.149390
  C       1.381386      0.947728      1.165500
  O       1.780867      1.476378      0.177891
  F       1.420231      1.600605      2.383369
  C      -1.438673      0.404869      1.822190
  C      -2.717698      0.158426      2.234502
  C      -3.174053     -1.164440      2.546412
  C      -4.426595     -1.320436      3.123055
  O      -4.854449     -2.460750      3.615828
  C      -6.815997     -4.743226      3.875272
  C      -7.115836     -5.116698      5.190118
  C      -8.343763     -4.750107      5.762267
  C      -8.693518     -5.057764      7.177212
  O      -9.775706     -5.507325      7.513074
  C      -7.667310     -4.601231      8.226448
  O      -6.668418     -3.977124      8.028473
  F      -8.162411     -4.758283      9.490730
  C      -9.290748     -4.038114      5.003996
  C      -8.979075     -3.632451      3.715263
  C      -7.742889     -3.963167      3.137992
  C      -7.412897     -3.477995      1.784474
  O      -8.166403     -2.796910      1.098510
  C      -3.491945     -5.040832      6.700335
  C      -4.142702     -5.873651      7.613902
  C      -4.232967     -5.538474      8.969918
  C      -4.992199     -6.360938      9.929720
  O      -4.731479     -6.412907     11.133135
  C      -6.213383     -7.091357      9.390580
  O      -6.752476     -6.945309      8.321224
  F      -6.757737     -7.912569     10.320492
  C      -3.557533     -4.388341      9.454715
  C      -2.929250     -3.543042      8.567098
  C      -2.925184     -3.812970      7.174471
  C      -2.393297     -2.875511      6.253465
  O      -2.633046     -2.917643      5.005746
  H      -0.224518     -2.778658      1.782632
  H      -1.118233      1.427395      1.616914
  H      -3.417016      0.983413      2.382684
  H      -5.135580     -0.488329      3.179525
  H      -6.398200     -5.708184      5.758838
  H     -10.251218     -3.785471      5.454242
  H      -9.682540     -3.044396      3.123341
  H      -6.403099     -3.761540      1.411899
  H      -4.597101     -6.795424      7.253098
  H      -3.590122     -4.172227     10.521893
  H      -2.454697     -2.625108      8.920985
  H      -1.778457     -2.037726      6.620936
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.880021879912
  N      -2.693887     -3.612337      2.397179
  C      -2.093622     -4.581768      1.476612
  C      -1.970936     -5.926158      2.159924
  N      -3.250428     -6.214298      2.837571
  C      -4.296946     -6.571123      1.838377
  C      -5.663814     -6.361659      2.453382
  N      -5.578866     -5.164509      3.271408
  Mo     -3.932210     -4.229401      3.880463
  N      -3.347085     -5.455143      5.395026
  C      -2.668184     -6.725581      5.162767
  C      -3.138708     -7.298555      3.849185
  H      -2.881406     -7.437181      5.975692
  H      -1.572423     -6.563497      5.159679
  H      -4.139846     -7.727059      3.982481
  H      -2.467225     -8.088213      3.473411
  H      -6.421462     -6.232169      1.659660
  H      -5.992649     -7.228159      3.059375
  H      -4.182781     -5.905304      0.975224
  H      -4.145400     -7.609452      1.501158
  H      -1.105946     -4.250599      1.139753
  H      -2.717444     -4.650748      0.569455
  H      -1.177305     -5.897048      2.918922
  H      -1.740288     -6.722215      1.430983
  C      -2.276637     -2.293546      2.281972
  C      -0.980673     -1.973505      1.848946
  C      -0.556111     -0.658125      1.644520
  C       0.821865     -0.442170      1.234815
  O       1.661703     -1.317961      1.006996
  C       1.306300      0.998109      1.043700
  O       1.660100      1.529512      0.041669
  F       1.394043      1.650993      2.258255
  C      -1.476551      0.416002      1.823876
  C      -2.734826      0.147920      2.280901
  C      -3.167354     -1.183473      2.593131
  C      -4.398328     -1.342624      3.213288
  O      -4.832050     -2.476937      3.706109
  C      -6.795672     -4.724313      3.852921
  C      -7.094869     -5.066012      5.176039
  C      -8.311996     -4.670834      5.746945
  C      -8.664562     -4.969065      7.161735
  O      -9.754096     -5.393225      7.504970
  C      -7.614731     -4.560631      8.209370
  O      -6.581969     -3.992383      8.013734
  F      -8.067698     -4.793121      9.473659
  C      -9.249484     -3.951670      4.984708
  C      -8.936634     -3.569991      3.689216
  C      -7.711771     -3.936713      3.109532
  C      -7.381325     -3.476457      1.747147
  O      -8.124547     -2.790634      1.058878
  C      -3.516851     -5.066975      6.720482
  C      -4.183383     -5.897596      7.627569
  C      -4.281256     -5.567004      8.982616
  C      -5.041362     -6.396909      9.936301
  O      -4.793431     -6.449473     11.138579
  C      -6.259912     -7.143887      9.389898
  O      -6.797097     -7.007613      8.321382
  F      -6.771479     -7.995934     10.309386
  C      -3.613300     -4.417009      9.475539
  C      -2.977462     -3.571180      8.594354
  C      -2.953001     -3.842222      7.202899
  C      -2.402921     -2.901871      6.292659
  O      -2.613012     -2.935015      5.043920
  H      -0.232137     -2.749753      1.697579
  H      -1.175856      1.444591      1.620636
  H      -3.437494      0.962525      2.465052
  H      -5.097319     -0.504342      3.305635
  H      -6.381991     -5.657312      5.750499
  H     -10.201889     -3.674619      5.437116
  H      -9.629336     -2.972882      3.094116
  H      -6.378738     -3.781888      1.370244
  H      -4.636774     -6.816184      7.258792
  H      -3.657357     -4.200504     10.541983
  H      -2.508184     -2.652542      8.952663
  H      -1.800614     -2.062266      6.678781
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.884295130285
  N      -2.669211     -3.614137      2.417779
  C      -2.073602     -4.588521      1.499268
  C      -1.952025     -5.933854      2.181311
  N      -3.231634     -6.230100      2.856426
  C      -4.280552     -6.575250      1.856381
  C      -5.647718     -6.359365      2.467743
  N      -5.562113     -5.162761      3.282509
  Mo     -3.892180     -4.260334      3.902955
  N      -3.326610     -5.494598      5.424977
  C      -2.652831     -6.763042      5.178627
  C      -3.124741     -7.321646      3.859982
  H      -2.868407     -7.485167      5.982280
  H      -1.555927     -6.608101      5.177943
  H      -4.129110     -7.744736      3.986713
  H      -2.458694     -8.113728      3.479456
  H      -6.397545     -6.230404      1.665907
  H      -5.984940     -7.225587      3.070099
  H      -4.161559     -5.904828      0.997585
  H      -4.133475     -7.611654      1.511277
  H      -1.083772     -4.267364      1.157616
  H      -2.699096     -4.657351      0.593325
  H      -1.160890     -5.907697      2.943050
  H      -1.715745     -6.725918      1.449414
  C      -2.267710     -2.294786      2.295096
  C      -0.997792     -1.951647      1.803175
  C      -0.597538     -0.629532      1.594870
  C       0.755226     -0.392268      1.116099
  O       1.593534     -1.254939      0.839781
  C       1.212092      1.055034      0.908418
  O       1.508226      1.594762     -0.108308
  F       1.358251      1.703442      2.119544
  C      -1.517175      0.432359      1.836061
  C      -2.749079      0.141847      2.348373
  C      -3.153600     -1.198407      2.660085
  C      -4.358092     -1.365898      3.331670
  O      -4.788778     -2.496254      3.828005
  C      -6.779163     -4.705913      3.845930
  C      -7.100773     -5.016317      5.173311
  C      -8.328201     -4.609013      5.714531
  C      -8.716937     -4.895609      7.121233
  O      -9.816030     -5.311822      7.443360
  C      -7.697942     -4.477351      8.193702
  O      -6.671243     -3.889693      8.023013
  F      -8.181377     -4.703414      9.444486
  C      -9.250498     -3.901064      4.924197
  C      -8.912636     -3.540965      3.629843
  C      -7.681332     -3.926306      3.077392
  C      -7.329030     -3.492034      1.710940
  O      -8.057796     -2.816245      0.999137
  C      -3.496011     -5.112631      6.748994
  C      -4.178680     -5.937341      7.653155
  C      -4.270189     -5.612313      9.009032
  C      -5.051474     -6.434609      9.951619
  O      -4.823946     -6.500928     11.154706
  C      -6.283576     -7.153438      9.381464
  O      -6.811824     -6.985338      8.314833
  F      -6.808601     -8.017236     10.281979
  C      -3.589979     -4.474348      9.510219
  C      -2.944646     -3.632030      8.632862
  C      -2.919211     -3.898322      7.241116
  C      -2.356265     -2.955745      6.337606
  O      -2.554487     -2.973682      5.090351
  H      -0.249149     -2.715801      1.600496
  H      -1.237156      1.466894      1.634746
  H      -3.451901      0.944938      2.576500
  H      -5.043923     -0.521473      3.465587
  H      -6.397945     -5.596976      5.770092
  H     -10.209343     -3.613624      5.355582
  H      -9.590225     -2.947859      3.014048
  H      -6.321421     -3.807644      1.354170
  H      -4.650763     -6.843804      7.276836
  H      -3.636703     -4.259537     10.576721
  H      -2.468204     -2.718647      8.994588
  H      -1.755498     -2.121221      6.739531
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.004120182144
  N      -2.642510     -3.621618      2.442716
  C      -2.041128     -4.601522      1.531827
  C      -1.928083     -5.948395      2.215219
  N      -3.213887     -6.250041      2.880173
  C      -4.261792     -6.583804      1.874109
  C      -5.632039     -6.355240      2.477742
  N      -5.544536     -5.154745      3.288666
  Mo     -3.855193     -4.293780      3.922994
  N      -3.317752     -5.530956      5.451807
  C      -2.647611     -6.800804      5.202452
  C      -3.116218     -7.349158      3.877364
  H      -2.868586     -7.529473      5.999374
  H      -1.549668     -6.651735      5.208507
  H      -4.124095     -7.766590      3.996659
  H      -2.454238     -8.144938      3.496714
  H      -6.372148     -6.228050      1.665984
  H      -5.980618     -7.218041      3.079077
  H      -4.134513     -5.911478      1.017827
  H      -4.121888     -7.619777      1.524092
  H      -1.045733     -4.291790      1.193917
  H      -2.660426     -4.670944      0.621426
  H      -1.144843     -5.923390      2.985368
  H      -1.680229     -6.737757      1.483626
  C      -2.259682     -2.299286      2.307606
  C      -1.017679     -1.932983      1.762080
  C      -0.645529     -0.603773      1.546002
  C       0.682197     -0.344960      1.005194
  O       1.518947     -1.195366      0.689888
  C       1.105707      1.110428      0.780175
  O       1.344178      1.658020     -0.248567
  F       1.296919      1.758504      1.985198
  C      -1.565023      0.444937      1.837026
  C      -2.771269      0.131806      2.398211
  C      -3.144243     -1.215707      2.712410
  C      -4.328769     -1.396200      3.423224
  O      -4.748282     -2.522791      3.927570
  C      -6.765262     -4.680218      3.828349
  C      -7.106350     -4.966975      5.157314
  C      -8.330986     -4.531199      5.682085
  C      -8.739848     -4.806659      7.085202
  O      -9.856544     -5.178501      7.402181
  C      -7.706341     -4.451332      8.166428
  O      -6.650377     -3.913327      8.006305
  F      -8.195145     -4.682735      9.412239
  C      -9.232866     -3.813874      4.875797
  C      -8.876337     -3.477156      3.580059
  C      -7.648148     -3.895019      3.043977
  C      -7.273981     -3.478864      1.676170
  O      -7.983254     -2.799398      0.947870
  C      -3.493157     -5.149947      6.775135
  C      -4.192032     -5.969364      7.674485
  C      -4.289810     -5.644605      9.029990
  C      -5.078086     -6.468095      9.967639
  O      -4.866437     -6.532365     11.173001
  C      -6.296099     -7.206299      9.381619
  O      -6.828826     -7.033106      8.318528
  F      -6.814287     -8.078443     10.278831
  C      -3.611727     -4.508680      9.537540
  C      -2.951871     -3.671184      8.665468
  C      -2.910038     -3.942037      7.275820
  C      -2.322810     -3.004675      6.378075
  O      -2.499513     -3.017362      5.130073
  H      -0.267918     -2.683480      1.515433
  H      -1.306810      1.484912      1.633436
  H      -3.476823      0.922477      2.660630
  H      -5.004856     -0.547503      3.584236
  H      -6.416148     -5.547808      5.769440
  H     -10.189561     -3.502069      5.295722
  H      -9.534564     -2.874549      2.951949
  H      -6.265875     -3.812653      1.335782
  H      -4.669620     -6.870479      7.292007
  H      -3.668520     -4.291969     10.603543
  H      -2.473822     -2.759534      9.030743
  H      -1.723977     -2.175418      6.796641
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.890794292681
  N      -2.617929     -3.631683      2.464669
  C      -2.012718     -4.617495      1.559100
  C      -1.908491     -5.966607      2.244656
  N      -3.200564     -6.271854      2.902428
  C      -4.249158     -6.593669      1.891328
  C      -5.621663     -6.346815      2.488220
  N      -5.528546     -5.139854      3.295643
  Mo     -3.818346     -4.329602      3.937663
  N      -3.309327     -5.562890      5.472311
  C      -2.643894     -6.837235      5.224642
  C      -3.111581     -7.378720      3.893799
  H      -2.869166     -7.570196      6.017198
  H      -1.544830     -6.694161      5.236217
  H      -4.122860     -7.790106      4.008457
  H      -2.454663     -8.179806      3.514238
  H      -6.351186     -6.221159      1.665905
  H      -5.984202     -7.204108      3.089791
  H      -4.114512     -5.920915      1.036092
  H      -4.119692     -7.629907      1.536936
  H      -1.011454     -4.322470      1.222466
  H      -2.628054     -4.686877      0.645473
  H      -1.131431     -5.942585      3.021493
  H      -1.650559     -6.753501      1.513020
  C      -2.250139     -2.305716      2.318256
  C      -1.036780     -1.916333      1.724368
  C      -0.691926     -0.579459      1.506325
  C       0.611713     -0.299193      0.908886
  O       1.444321     -1.138732      0.555545
  C       1.000389      1.165521      0.675250
  O       1.184722      1.725763     -0.360131
  F       1.231927      1.807299      1.876871
  C      -1.607884      0.456915      1.846326
  C      -2.789061      0.120871      2.452058
  C      -3.130441     -1.233197      2.763015
  C      -4.296351     -1.429246      3.512755
  O      -4.703044     -2.551977      4.022307
  C      -6.757693     -4.652015      3.807425
  C      -7.121913     -4.919492      5.135898
  C      -8.346798     -4.461459      5.641258
  C      -8.777483     -4.732934      7.039045
  O      -9.908286     -5.070755      7.346607
  C      -7.739173     -4.435005      8.132615
  O      -6.658128     -3.941924      7.987433
  F      -8.230802     -4.688382      9.371739
  C      -9.228075     -3.735723      4.817805
  C      -8.849459     -3.418093      3.522986
  C      -7.621387     -3.862751      3.007300
  C      -7.221761     -3.459987      1.640268
  O      -7.909989     -2.776548      0.893294
  C      -3.486636     -5.180044      6.797659
  C      -4.200780     -5.991150      7.695963
  C      -4.297504     -5.664821      9.052127
  C      -5.088366     -6.487496      9.992119
  O      -4.883663     -6.547220     11.199544
  C      -6.296227     -7.244292      9.401623
  O      -6.839647     -7.074544      8.342650
  F      -6.799869     -8.124923     10.300737
  C      -3.616394     -4.531750      9.561734
  C      -2.941801     -3.702109      8.691468
  C      -2.890212     -3.980735      7.304720
  C      -2.273353     -3.056549      6.406272
  O      -2.434031     -3.068104      5.158155
  H      -0.286959     -2.652217      1.434131
  H      -1.369217      1.502463      1.644235
  H      -3.496249      0.898761      2.749589
  H      -4.959766     -0.573958      3.698464
  H      -6.444578     -5.499849      5.764596
  H     -10.185190     -3.404191      5.223448
  H      -9.487970     -2.806927      2.881473
  H      -6.210950     -3.808966      1.321050
  H      -4.687280     -6.886311      7.310201
  H      -3.677482     -4.312282     10.627786
  H      -2.455943     -2.793864      9.057771
  H      -1.670494     -2.235042      6.838638
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.893303214909
  N      -2.588776     -3.634979      2.497635
  C      -1.972518     -4.622238      1.600504
  C      -1.884084     -5.975068      2.282987
  N      -3.184413     -6.283028      2.925528
  C      -4.230686     -6.586351      1.906966
  C      -5.603715     -6.326088      2.499567
  N      -5.505961     -5.117063      3.306031
  Mo     -3.779738     -4.356171      3.964700
  N      -3.300469     -5.598635      5.497110
  C      -2.642398     -6.875696      5.244166
  C      -3.107243     -7.401146      3.905767
  H      -2.875267     -7.613940      6.029300
  H      -1.542631     -6.740261      5.261571
  H      -4.122408     -7.805054      4.012023
  H      -2.455562     -8.203986      3.521729
  H      -6.326932     -6.198093      1.672489
  H      -5.975618     -7.179253      3.100763
  H      -4.084903     -5.909236      1.056943
  H      -4.112262     -7.621145      1.545518
  H      -0.963377     -4.336075      1.278842
  H      -2.574476     -4.687768      0.677696
  H      -1.118881     -5.955580      3.071592
  H      -1.614368     -6.758375      1.552026
  C      -2.243035     -2.307023      2.339095
  C      -1.062746     -1.903060      1.691863
  C      -0.743761     -0.562038      1.461928
  C       0.527278     -0.267506      0.802581
  O       1.350981     -1.098013      0.412519
  C       0.883985      1.201154      0.545700
  O       1.007269      1.760185     -0.498325
  F       1.165723      1.849918      1.732066
  C      -1.652194      0.463822      1.845700
  C      -2.803923      0.112591      2.499116
  C      -3.118833     -1.245042      2.816406
  C      -4.264854     -1.451784      3.597771
  O      -4.655248     -2.573264      4.117356
  C      -6.737678     -4.615501      3.795247
  C      -7.118634     -4.866894      5.121548
  C      -8.346289     -4.397218      5.608298
  C      -8.797722     -4.664746      6.999546
  O      -9.939970     -4.974677      7.292935
  C      -7.763816     -4.408450      8.108760
  O      -6.672855     -3.933385      7.983590
  F      -8.270863     -4.682168      9.336297
  C      -9.213605     -3.673700      4.768434
  C      -8.818366     -3.371770      3.475106
  C      -7.587717     -3.830497      2.978145
  C      -7.169375     -3.443570      1.612036
  O      -7.846928     -2.769118      0.848614
  C      -3.477320     -5.218845      6.822868
  C      -4.207724     -6.023391      7.712749
  C      -4.312625     -5.697404      9.068334
  C      -5.117181     -6.512796     10.002544
  O      -4.931351     -6.559638     11.213220
  C      -6.322602     -7.268443      9.404752
  O      -6.855253     -7.106853      8.340103
  F      -6.810781     -8.173993     10.288919
  C      -3.628168     -4.570388      9.584567
  C      -2.935432     -3.747769      8.721672
  C      -2.871054     -4.028339      7.336903
  C      -2.226049     -3.112149      6.447456
  O      -2.364455     -3.120198      5.198585
  H      -0.321331     -2.629247      1.360358
  H      -1.433308      1.512075      1.637527
  H      -3.507677      0.881433      2.825678
  H      -4.920645     -0.594498      3.802207
  H      -6.450965     -5.443136      5.763475
  H     -10.172703     -3.332335      5.160136
  H      -9.444354     -2.761940      2.820730
  H      -6.155416     -3.797840      1.310601
  H      -4.702872     -6.910418      7.319948
  H      -3.699160     -4.349777     10.649426
  H      -2.444372     -2.844681      9.092823
  H      -1.616228     -2.303331      6.894034
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.895478663639
  N      -2.559572     -3.626900      2.547223
  C      -1.925358     -4.607215      1.655062
  C      -1.860781     -5.968610      2.326038
  N      -3.172299     -6.276036      2.945959
  C      -4.211452     -6.549747      1.914722
  C      -5.581264     -6.278402      2.505184
  N      -5.477760     -5.072405      3.320799
  Mo     -3.746851     -4.365656      4.003920
  N      -3.296478     -5.628096      5.515353
  C      -2.647348     -6.909150      5.255254
  C      -3.108909     -7.412013      3.906275
  H      -2.890296     -7.649965      6.032980
  H      -1.547720     -6.779806      5.278467
  H      -4.127343     -7.809247      4.002071
  H      -2.460938     -8.210693      3.510553
  H      -6.303489     -6.137810      1.681685
  H      -5.959086     -7.128287      3.105106
  H      -4.047681     -5.863112      1.075621
  H      -4.109420     -7.581359      1.542325
  H      -0.905972     -4.322460      1.366968
  H      -2.503425     -4.661433      0.716349
  H      -1.112157     -5.958189      3.130271
  H      -1.580948     -6.747062      1.595241
  C      -2.239570     -2.296047      2.381080
  C      -1.088539     -1.896039      1.684773
  C      -0.788742     -0.556063      1.429504
  C       0.448024     -0.265537      0.710061
  O       1.256710     -1.096724      0.295650
  C       0.778248      1.199523      0.409057
  O       0.843996      1.737259     -0.647386
  F       1.115596      1.871531      1.566372
  C      -1.685062      0.467319      1.838611
  C      -2.811552      0.118282      2.535391
  C      -3.112771     -1.236571      2.872727
  C      -4.249159     -1.447620      3.666837
  O      -4.618955     -2.575796      4.192581
  C      -6.717208     -4.570551      3.787199
  C      -7.108892     -4.819153      5.107100
  C      -8.349626     -4.364855      5.574050
  C      -8.815608     -4.632859      6.958751
  O      -9.962478     -4.941456      7.230168
  C      -7.799316     -4.376617      8.088841
  O      -6.718992     -3.879344      7.988890
  F      -8.325739     -4.691215      9.300582
  C      -9.216647     -3.664067      4.716412
  C      -8.809536     -3.366265      3.426233
  C      -7.564059     -3.806761      2.949822
  C      -7.130879     -3.429246      1.587749
  O      -7.812742     -2.780384      0.808573
  C      -3.461464     -5.260056      6.847234
  C      -4.205766     -6.059581      7.721300
  C      -4.318317     -5.739041      9.078707
  C      -5.145188     -6.532243     10.008305
  O      -4.967227     -6.557146     11.223092
  C      -6.353387     -7.272276      9.420217
  O      -6.887875     -7.107943      8.358023
  F      -6.856954     -8.167428     10.309536
  C      -3.617665     -4.627111      9.602999
  C      -2.901834     -3.813245      8.751258
  C      -2.834213     -4.086832      7.366324
  C      -2.163530     -3.177755      6.492576
  O      -2.282914     -3.180540      5.241021
  H      -0.363425     -2.622893      1.325893
  H      -1.480641      1.513760      1.612695
  H      -3.506773      0.887955      2.873991
  H      -4.905835     -0.592172      3.871623
  H      -6.443187     -5.381918      5.760169
  H     -10.185578     -3.335937      5.091917
  H      -9.437066     -2.776000      2.757641
  H      -6.105731     -3.762005      1.308495
  H      -4.716193     -6.932880      7.318745
  H      -3.695042     -4.409906     10.666942
  H      -2.397858     -2.922467      9.131217
  H      -1.535184     -2.392316      6.950431
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.897406180781
  N      -2.528433     -3.638531      2.572066
  C      -1.882209     -4.623868      1.692391
  C      -1.832455     -5.986039      2.362132
  N      -3.151531     -6.294594      2.965238
  C      -4.186430     -6.550287      1.923880
  C      -5.558307     -6.267997      2.505364
  N      -5.452735     -5.061015      3.321864
  Mo     -3.710168     -4.397177      4.026451
  N      -3.293128     -5.668653      5.540230
  C      -2.649663     -6.951976      5.275088
  C      -3.102415     -7.439785      3.917459
  H      -2.904430     -7.698055      6.044902
  H      -1.548875     -6.831335      5.308290
  H      -4.124769     -7.830366      4.000954
  H      -2.457044     -8.239879      3.519328
  H      -6.274286     -6.126002      1.675909
  H      -5.944459     -7.115655      3.104155
  H      -4.008395     -5.859295      1.091219
  H      -4.092747     -7.580701      1.544505
  H      -0.854595     -4.350070      1.424981
  H      -2.441705     -4.675611      0.741988
  H      -1.096003     -5.979272      3.177891
  H      -1.541566     -6.763225      1.633496
  C      -2.232331     -2.303298      2.393700
  C      -1.116512     -1.881267      1.649435
  C      -0.847317     -0.536205      1.384993
  C       0.350287     -0.225659      0.608018
  O       1.154997     -1.043419      0.158715
  C       0.642089      1.244506      0.288264
  O       0.643137      1.780469     -0.772617
  F       1.020299      1.927835      1.427034
  C      -1.738324      0.473029      1.837162
  C      -2.830293      0.103972      2.577656
  C      -3.102058     -1.256460      2.919744
  C      -4.214567     -1.477213      3.746141
  O      -4.569918     -2.604350      4.280621
  C      -6.689999     -4.542487      3.774682
  C      -7.093404     -4.772700      5.095764
  C      -8.328660     -4.292765      5.552476
  C      -8.810047     -4.546676      6.934585
  O      -9.971489     -4.797975      7.203057
  C      -7.782502     -4.364264      8.071662
  O      -6.677993     -3.921967      7.981331
  F      -8.327157     -4.674693      9.275072
  C      -9.178443     -3.582582      4.684761
  C      -8.760903     -3.305432      3.393185
  C      -7.520968     -3.772304      2.926455
  C      -7.071278     -3.406901      1.565181
  O      -7.740421     -2.756837      0.775089
  C      -3.463192     -5.299314      6.871901
  C      -4.227030     -6.088579      7.740352
  C      -4.354465     -5.761162      9.095115
  C      -5.199635     -6.545870     10.015491
  O      -5.053260     -6.556851     11.234855
  C      -6.373599     -7.320034      9.400822
  O      -6.893365     -7.161293      8.331205
  F      -6.891563     -8.204407     10.293032
  C      -3.655879     -4.649575      9.623595
  C      -2.918698     -3.847795      8.777866
  C      -2.829241     -4.131376      7.395475
  C      -2.129257     -3.232876      6.531799
  O      -2.219862     -3.234746      5.278736
  H      -0.397908     -2.594484      1.253120
  H      -1.558014      1.523999      1.609015
  H      -3.522505      0.863148      2.946693
  H      -4.866157     -0.622701      3.972055
  H      -6.437839     -5.338552      5.757819
  H     -10.142905     -3.232700      5.053413
  H      -9.373813     -2.707717      2.716772
  H      -6.044461     -3.748042      1.298599
  H      -4.742757     -6.957605      7.333670
  H      -3.748797     -4.424557     10.685205
  H      -2.412890     -2.958604      9.160660
  H      -1.501675     -2.454163      7.004187
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.898974077945
  N      -2.496953     -3.650233      2.600669
  C      -1.831436     -4.636947      1.735591
  C      -1.802673     -6.001963      2.400304
  N      -3.131753     -6.308264      2.981138
  C      -4.158676     -6.539579      1.923691
  C      -5.532781     -6.249504      2.494300
  N      -5.424845     -5.046364      3.320348
  Mo     -3.679648     -4.420969      4.054428
  N      -3.298896     -5.708803      5.562498
  C      -2.661777     -6.995652      5.291853
  C      -3.101540     -7.465441      3.922282
  H      -2.934273     -7.746453      6.052290
  H      -1.559870     -6.884969      5.339988
  H      -4.127724     -7.850143      3.989103
  H      -2.456053     -8.264499      3.520578
  H      -6.245912     -6.101788      1.662369
  H      -5.924317     -7.097634      3.090585
  H      -3.961131     -5.841388      1.101495
  H      -4.074514     -7.568255      1.534709
  H      -0.792273     -4.370690      1.507952
  H      -2.358645     -4.680542      0.766011
  H      -1.080543     -6.001758      3.229247
  H      -1.502318     -6.778434      1.673462
  C      -2.225684     -2.309241      2.409988
  C      -1.144732     -1.867545      1.618847
  C      -0.903761     -0.518771      1.342449
  C       0.251865     -0.191603      0.508827
  O       1.049537     -0.997794      0.023386
  C       0.506136      1.282327      0.168352
  O       0.448077      1.811171     -0.897492
  F       0.938840      1.977084      1.282255
  C      -1.787832      0.478095      1.834621
  C      -2.844733      0.092575      2.615901
  C      -3.092079     -1.272466      2.964791
  C      -4.185008     -1.499017      3.815367
  O      -4.528425     -2.626184      4.354121
  C      -6.659111     -4.512486      3.765553
  C      -7.073402     -4.731795      5.087360
  C      -8.307835     -4.238359      5.533662
  C      -8.803281     -4.478863      6.913955
  O      -9.974316     -4.682101      7.180941
  C      -7.770814     -4.347122      8.058211
  O      -6.655182     -3.930676      7.978498
  F      -8.329853     -4.660532      9.253356
  C      -9.146161     -3.526173      4.655293
  C      -8.719899     -3.262889      3.363417
  C      -7.479549     -3.740067      2.906768
  C      -7.014855     -3.378160      1.547950
  O      -7.680324     -2.738723      0.743941
  C      -3.467146     -5.339106      6.897369
  C      -4.249538     -6.117377      7.761885
  C      -4.387125     -5.784987      9.115526
  C      -5.254543     -6.555751     10.028223
  O      -5.139344     -6.546816     11.252156
  C      -6.422339     -7.323028      9.397990
  O      -6.901080     -7.184004      8.305771
  F      -6.926679     -8.241961     10.262663
  C      -3.679071     -4.679066      9.647028
  C      -2.920893     -3.890983      8.806263
  C      -2.818923     -4.179513      7.423491
  C      -2.094315     -3.290840      6.570023
  O      -2.156775     -3.291902      5.314317
  H      -0.435524     -2.569871      1.186882
  H      -1.630398      1.533211      1.603736
  H      -3.531358      0.844406      3.012604
  H      -4.836648     -0.648759      4.057760
  H      -6.425926     -5.301808      5.756282
  H     -10.110473     -3.165239      5.016109
  H      -9.325554     -2.665348      2.678586
  H      -5.981224     -3.714678      1.295716
  H      -4.773352     -6.980972      7.352986
  H      -3.780675     -4.448666     10.707718
  H      -2.405902     -3.007598      9.193104
  H      -1.463150     -2.520648      7.054001
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.900776599871
  N      -2.474568     -3.652832      2.634191
  C      -1.785686     -4.632488      1.781910
  C      -1.773989     -6.003125      2.440480
  N      -3.113745     -6.313533      2.997773
  C      -4.130516     -6.524281      1.926742
  C      -5.507069     -6.226671      2.488472
  N      -5.397495     -5.025926      3.319781
  Mo     -3.653624     -4.439276      4.082601
  N      -3.306274     -5.741782      5.581024
  C      -2.674756     -7.030601      5.305830
  C      -3.101255     -7.482523      3.925109
  H      -2.961508     -7.787106      6.055020
  H      -1.573135     -6.927978      5.368828
  H      -4.130353     -7.861700      3.975060
  H      -2.455888     -8.280386      3.521672
  H      -6.213844     -6.074720      1.652645
  H      -5.906203     -7.073454      3.081195
  H      -3.917389     -5.819896      1.113772
  H      -4.053567     -7.549615      1.528253
  H      -0.737607     -4.364485      1.589046
  H      -2.283337     -4.668942      0.796532
  H      -1.068097     -6.007734      3.283167
  H      -1.458390     -6.775144      1.715449
  C      -2.229938     -2.313157      2.430556
  C      -1.186964     -1.864129      1.594760
  C      -0.968997     -0.514085      1.307655
  C       0.145978     -0.177548      0.423795
  O       0.930645     -0.976117     -0.092419
  C       0.369586      1.297984      0.070504
  O       0.256687      1.824382     -0.991587
  F       0.844731      1.999285      1.162038
  C      -1.838583      0.476183      1.837516
  C      -2.863151      0.081375      2.656430
  C      -3.089506     -1.285320      3.011103
  C      -4.161808     -1.518881      3.889060
  O      -4.489443     -2.646184      4.433284
  C      -6.630638     -4.476606      3.743899
  C      -7.055375     -4.672784      5.065274
  C      -8.291032     -4.170756      5.494841
  C      -8.796251     -4.395752      6.873292
  O      -9.971299     -4.569775      7.140985
  C      -7.762125     -4.289739      8.020726
  O      -6.641417     -3.884749      7.947638
  F      -8.319311     -4.630038      9.208407
  C      -9.121929     -3.470814      4.599405
  C      -8.684575     -3.227467      3.307621
  C      -7.441252     -3.713598      2.867955
  C      -6.962169     -3.367136      1.509999
  O      -7.621769     -2.745136      0.688798
  C      -3.471844     -5.376797      6.918060
  C      -4.266102     -6.150186      7.776213
  C      -4.401839     -5.824757      9.132263
  C      -5.273069     -6.590839     10.047300
  O      -5.152695     -6.578474     11.270541
  C      -6.449387     -7.356180      9.430588
  O      -6.966229     -7.193697      8.358639
  F      -6.949131     -8.268783     10.304765
  C      -3.682262     -4.728899      9.668730
  C      -2.913902     -3.945162      8.833987
  C      -2.809310     -4.229057      7.450696
  C      -2.058656     -3.350465      6.607327
  O      -2.099899     -3.347762      5.351463
  H      -0.494267     -2.563016      1.129150
  H      -1.697215      1.532563      1.603878
  H      -3.540595      0.827682      3.077816
  H      -4.808245     -0.670018      4.150954
  H      -6.414412     -5.234632      5.746261
  H     -10.087815     -3.102571      4.947471
  H      -9.282862     -2.638248      2.609673
  H      -5.921186     -3.694453      1.278740
  H      -4.796310     -7.005982      7.361784
  H      -3.782968     -4.502769     10.730170
  H      -2.388232     -3.071240      9.227196
  H      -1.422262     -2.592388      7.103646
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.902442653542
  N      -2.456554     -3.653882      2.669081
  C      -1.738969     -4.622891      1.831908
  C      -1.744401     -6.000163      2.482540
  N      -3.094795     -6.313845      3.013691
  C      -4.096520     -6.501934      1.924932
  C      -5.477343     -6.200633      2.472637
  N      -5.369597     -5.008281      3.316014
  Mo     -3.633903     -4.450460      4.114449
  N      -3.318769     -5.771183      5.601285
  C      -2.693546     -7.061599      5.320141
  C      -3.102439     -7.493681      3.926562
  H      -2.997915     -7.824573      6.055168
  H      -1.592838     -6.968471      5.401807
  H      -4.133905     -7.867728      3.955694
  H      -2.454875     -8.289360      3.523470
  H      -6.175729     -6.041846      1.632487
  H      -5.883744     -7.048827      3.057450
  H      -3.864355     -5.789077      1.124549
  H      -4.023948     -7.522430      1.514561
  H      -0.683885     -4.346182      1.682535
  H      -2.199553     -4.652147      0.828412
  H      -1.055221     -6.010535      3.338608
  H      -1.414479     -6.767529      1.759349
  C      -2.240282     -2.316676      2.451203
  C      -1.236494     -1.866932      1.571319
  C      -1.037017     -0.517379      1.272435
  C       0.034611     -0.176585      0.339614
  O       0.798168     -0.970687     -0.211879
  C       0.234464      1.299203     -0.023656
  O       0.062131      1.826069     -1.076161
  F       0.756569      2.002936      1.043307
  C      -1.886038      0.470684      1.839393
  C      -2.878315      0.072461      2.695390
  C      -3.089506     -1.294666      3.055874
  C      -4.139989     -1.531469      3.961294
  O      -4.455493     -2.661027      4.509080
  C      -6.600092     -4.448208      3.726585
  C      -7.031426     -4.621432      5.048310
  C      -8.266754     -4.109709      5.464802
  C      -8.777041     -4.311954      6.843307
  O      -9.955602     -4.441070      7.117857
  C      -7.735716     -4.246543      7.989589
  O      -6.607904     -3.862586      7.919436
  F      -8.295171     -4.594368      9.173089
  C      -9.093109     -3.422517      4.554547
  C      -8.649653     -3.201715      3.261653
  C      -7.404369     -3.695864      2.835879
  C      -6.914361     -3.363687      1.479366
  O      -7.572544     -2.765373      0.640460
  C      -3.478336     -5.412440      6.940630
  C      -4.285789     -6.178244      7.792385
  C      -4.421107     -5.857144      9.149118
  C      -5.305896     -6.612771     10.058285
  O      -5.197016     -6.596399     11.281964
  C      -6.477218     -7.379665      9.435146
  O      -6.998035     -7.205197      8.367779
  F      -6.979214     -8.295149     10.303836
  C      -3.690456     -4.772269      9.691352
  C      -2.908387     -3.996786      8.863017
  C      -2.800973     -4.277403      7.479757
  C      -2.026862     -3.409135      6.646221
  O      -2.049468     -3.402598      5.390292
  H      -0.566281     -2.567221      1.074982
  H      -1.755953      1.527159      1.602316
  H      -3.541992      0.816505      3.140787
  H      -4.777961     -0.683241      4.245555
  H      -6.395681     -5.176097      5.738418
  H     -10.059354     -3.047141      4.892422
  H      -9.243360     -2.623122      2.551809
  H      -5.865437     -3.676667      1.268348
  H      -4.826774     -7.024766      7.372394
  H      -3.793074     -4.548182     10.752566
  H      -2.372163     -3.132359      9.261646
  H      -1.383882     -2.664208      7.152951
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.903920217511
  N      -2.441194     -3.659330      2.700537
  C      -1.692631     -4.619725      1.882184
  C      -1.714096     -6.002296      2.525066
  N      -3.074486     -6.317635      3.028567
  C      -4.059047     -6.484866      1.920613
  C      -5.446213     -6.181164      2.450566
  N      -5.342443     -4.998722      3.307370
  Mo     -3.617782     -4.462969      4.144520
  N      -3.333667     -5.802147      5.621862
  C      -2.715087     -7.094148      5.334291
  C      -3.104167     -7.506257      3.928262
  H      -3.038594     -7.864547      6.053571
  H      -1.615334     -7.012189      5.436179
  H      -4.138095     -7.874141      3.935278
  H      -2.454170     -8.301644      3.528481
  H      -6.133860     -6.015904      1.603482
  H      -5.861026     -7.032218      3.025189
  H      -3.807764     -5.763716      1.133590
  H      -3.987413     -7.500472      1.498081
  H      -0.633725     -4.334184      1.777320
  H      -2.113234     -4.644522      0.861092
  H      -1.041460     -6.018398      3.394035
  H      -1.370095     -6.765737      1.804253
  C      -2.253562     -2.321665      2.467398
  C      -1.289950     -1.865559      1.546237
  C      -1.111389     -0.515265      1.239547
  C      -0.084965     -0.166167      0.260222
  O       0.655603     -0.954678     -0.328946
  C       0.091656      1.311929     -0.105296
  O      -0.124895      1.840559     -1.148563
  F       0.688160      2.005341      0.928225
  C      -1.939891      0.468181      1.844332
  C      -2.898086      0.062923      2.735414
  C      -3.091473     -1.305997      3.097881
  C      -4.116541     -1.547481      4.032456
  O      -4.422546     -2.679835      4.581011
  C      -6.568733     -4.424684      3.706495
  C      -7.005260     -4.570621      5.030149
  C      -8.238434     -4.045559      5.435191
  C      -8.751993     -4.220239      6.814983
  O      -9.933244     -4.301776      7.098193
  C      -7.706290     -4.182706      7.959713
  O      -6.572152     -3.816234      7.891412
  F      -8.262831     -4.545482      9.139652
  C      -9.061237     -3.372325      4.509577
  C      -8.613792     -3.178092      3.214413
  C      -7.367918     -3.682949      2.801327
  C      -6.869580     -3.367050      1.444895
  O      -7.526148     -2.792190      0.587908
  C      -3.485986     -5.449212      6.963223
  C      -4.304273     -6.208265      7.811735
  C      -4.436489     -5.890962      9.169007
  C      -5.332263     -6.640045     10.072055
  O      -5.235814     -6.624680     11.295634
  C      -6.509254     -7.394190      9.438693
  O      -7.033845     -7.194487      8.378664
  F      -7.013264     -8.319618     10.293834
  C      -3.694695     -4.817057      9.717110
  C      -2.901217     -4.049087      8.893060
  C      -2.794184     -4.326422      7.509532
  C      -1.999914     -3.467788      6.683503
  O      -2.008304     -3.456830      5.428012
  H      -0.641196     -2.563722      1.020355
  H      -1.822311      1.525709      1.606119
  H      -3.548637      0.802548      3.206636
  H      -4.742927     -0.699897      4.342816
  H      -6.374779     -5.119385      5.729485
  H     -10.026800     -2.987534      4.838347
  H      -9.203382     -2.610433      2.492465
  H      -5.812155     -3.664190      1.253379
  H      -4.855551     -7.046180      7.387276
  H      -3.796879     -4.595500     10.778844
  H      -2.354074     -3.193501      9.295813
  H      -1.349623     -2.735612      7.199585
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.905045938145
  N      -2.428533     -3.665434      2.732596
  C      -1.647808     -4.617065      1.935124
  C      -1.685841     -6.004341      2.569597
  N      -3.056120     -6.318115      3.043875
  C      -4.020512     -6.464697      1.915282
  C      -5.414918     -6.158719      2.423910
  N      -5.316588     -4.988346      3.295769
  Mo     -3.607482     -4.468888      4.174584
  N      -3.352770     -5.827472      5.641972
  C      -2.741741     -7.121433      5.348320
  C      -3.110041     -7.513612      3.930738
  H      -3.085365     -7.898734      6.051015
  H      -1.643288     -7.051907      5.470868
  H      -4.146441     -7.873931      3.915362
  H      -2.458139     -8.310352      3.536472
  H      -6.089317     -5.984876      1.568545
  H      -5.840121     -7.013170      2.985794
  H      -3.748837     -5.735206      1.143122
  H      -3.947772     -7.475029      1.480338
  H      -0.588581     -4.319737      1.874526
  H      -2.027223     -4.639493      0.897963
  H      -1.029873     -6.027322      3.451120
  H      -1.329381     -6.764690      1.851617
  C      -2.267191     -2.327090      2.482662
  C      -1.338746     -1.871071      1.525416
  C      -1.178373     -0.521657      1.206983
  C      -0.193308     -0.169830      0.187139
  O       0.526167     -0.955838     -0.430093
  C      -0.032157      1.309387     -0.182138
  O      -0.330146      1.851037     -1.198039
  F       0.570511      2.008070      0.843841
  C      -1.985991      0.461117      1.839790
  C      -2.913801      0.055600      2.763009
  C      -3.093111     -1.313218      3.131850
  C      -4.093783     -1.555999      4.092855
  O      -4.394060     -2.692343      4.640262
  C      -6.538629     -4.400494      3.684361
  C      -6.978822     -4.521333      5.009529
  C      -8.208623     -3.982388      5.406042
  C      -8.723459     -4.130066      6.787186
  O      -9.906869     -4.163777      7.077085
  C      -7.675806     -4.132733      7.930114
  O      -6.536116     -3.780708      7.869866
  F      -8.238085     -4.502037      9.106274
  C      -9.028372     -3.321243      4.467141
  C      -8.578963     -3.152500      3.169599
  C      -7.333364     -3.668000      2.766515
  C      -6.828381     -3.366199      1.410950
  O      -7.485347     -2.818124      0.535979
  C      -3.494985     -5.481827      6.985428
  C      -4.321164     -6.235482      7.831638
  C      -4.448333     -5.922137      9.189514
  C      -5.353072     -6.666209     10.087082
  O      -5.264806     -6.656520     11.309849
  C      -6.535676     -7.409982      9.444082
  O      -7.060303     -7.190367      8.389469
  F      -7.028653     -8.358054     10.279247
  C      -3.695094     -4.860035      9.743714
  C      -2.891330     -4.099074      8.922892
  C      -2.788132     -4.372344      7.539167
  C      -1.978244     -3.521695      6.719537
  O      -1.978302     -3.506070      5.464782
  H      -0.710287     -2.571233      0.979602
  H      -1.877508      1.518412      1.595730
  H      -3.550958      0.794205      3.253500
  H      -4.706103     -0.707509      4.426312
  H      -6.353908     -5.066509      5.716555
  H      -9.992330     -2.926906      4.788854
  H      -9.165073     -2.594663      2.437283
  H      -5.764302     -3.650140      1.235319
  H      -4.883049     -7.064213      7.402864
  H      -3.795161     -4.641813     10.806276
  H      -2.332859     -3.252416      9.328841
  H      -1.317745     -2.804302      7.243178
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.906008234866
  N      -2.418612     -3.666264      2.767568
  C      -1.604606     -4.608385      1.992791
  C      -1.659549     -6.000535      2.616700
  N      -3.039556     -6.312719      3.060822
  C      -3.983976     -6.438654      1.913415
  C      -5.385444     -6.130250      2.401627
  N      -5.294077     -4.971646      3.288808
  Mo     -3.598084     -4.472248      4.203157
  N      -3.370478     -5.847609      5.660641
  C      -2.766796     -7.143666      5.360493
  C      -3.116542     -7.515983      3.932947
  H      -3.128024     -7.927110      6.047321
  H      -1.669781     -7.086001      5.500804
  H      -4.155312     -7.867952      3.897655
  H      -2.464672     -8.314711      3.542494
  H      -6.044861     -5.945935      1.537362
  H      -5.822669     -6.988212      2.948671
  H      -3.693887     -5.700128      1.157110
  H      -3.909328     -7.442898      1.465075
  H      -0.546882     -4.299781      1.972727
  H      -1.944717     -4.628991      0.942073
  H      -1.021272     -6.032562      3.510975
  H      -1.290468     -6.756759      1.900838
  C      -2.284321     -2.328627      2.500657
  C      -1.385914     -1.875840      1.513894
  C      -1.246913     -0.528294      1.179457
  C      -0.296647     -0.178840      0.125715
  O       0.403008     -0.966859     -0.510795
  C      -0.157092      1.298762     -0.258370
  O      -0.472488      1.827417     -1.275188
  F       0.531176      1.991422      0.716380
  C      -2.041250      0.453952      1.827913
  C      -2.941503      0.050576      2.779903
  C      -3.103399     -1.316587      3.161249
  C      -4.080426     -1.561808      4.146446
  O      -4.370011     -2.702446      4.694224
  C      -6.514626     -4.373341      3.663287
  C      -6.958050     -4.474010      4.988881
  C      -8.183465     -3.920942      5.378945
  C      -8.699656     -4.047708      6.760494
  O      -9.884124     -4.022644      7.052480
  C      -7.655941     -4.117197      7.902642
  O      -6.507345     -3.792788      7.858419
  F      -8.238237     -4.485492      9.070968
  C      -8.998154     -3.266793      4.429885
  C      -8.547556     -3.120643      3.130337
  C      -7.303797     -3.648003      2.734743
  C      -6.791229     -3.356716      1.381232
  O      -7.447327     -2.831106      0.491788
  C      -3.502364     -5.510228      7.006480
  C      -4.334249     -6.260681      7.849449
  C      -4.458621     -5.950739      9.207874
  C      -5.368973     -6.692948     10.101211
  O      -5.286841     -6.686284     11.323308
  C      -6.542725     -7.449091      9.450403
  O      -7.072067     -7.222949      8.400786
  F      -7.011546     -8.421601     10.271733
  C      -3.699170     -4.897058      9.767798
  C      -2.885312     -4.141993      8.950610
  C      -2.783051     -4.413046      7.567435
  C      -1.959392     -3.568772      6.754814
  O      -1.954231     -3.548459      5.501318
  H      -0.769767     -2.578983      0.957973
  H      -1.945079      1.509839      1.573055
  H      -3.570030      0.788771      3.281511
  H      -4.680020     -0.712038      4.498005
  H      -6.338871     -5.016586      5.702729
  H      -9.959246     -2.861872      4.746331
  H      -9.128971     -2.568706      2.390105
  H      -5.720364     -3.623974      1.220792
  H      -4.904966     -7.080607      7.415790
  H      -3.799550     -4.681151     10.830612
  H      -2.318837     -3.302276      9.359411
  H      -1.289767     -2.865897      7.286207
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.906698680122
  N      -2.400571     -3.671968      2.796834
  C      -1.557192     -4.608000      2.045475
  C      -1.631475     -6.005108      2.656708
  N      -3.021055     -6.313212      3.072836
  C      -3.949211     -6.415171      1.909230
  C      -5.356157     -6.102828      2.380721
  N      -5.270615     -4.955516      3.284775
  Mo     -3.579574     -4.484302      4.225335
  N      -3.380509     -5.874741      5.674875
  C      -2.787049     -7.174596      5.365810
  C      -3.121805     -7.526114      3.929113
  H      -3.166259     -7.962717      6.038028
  H      -1.691098     -7.131437      5.521109
  H      -4.163769     -7.866968      3.876399
  H      -2.473370     -8.328003      3.538418
  H      -6.002005     -5.906356      1.508565
  H      -5.805448     -6.964851      2.912222
  H      -3.642169     -5.666927      1.169484
  H      -3.875025     -7.413101      1.446108
  H      -0.500314     -4.295223      2.064167
  H      -1.859489     -4.624123      0.982963
  H      -1.009658     -6.050090      3.562146
  H      -1.253211     -6.757235      1.940681
  C      -2.293036     -2.334610      2.513404
  C      -1.420425     -1.877776      1.503661
  C      -1.309203     -0.531080      1.153951
  C      -0.387607     -0.177784      0.074948
  O       0.309464     -0.961834     -0.570287
  C      -0.276496      1.299095     -0.323017
  O      -0.632020      1.818928     -1.332250
  F       0.428395      2.006822      0.629864
  C      -2.101509      0.445426      1.812845
  C      -2.973847      0.038410      2.789430
  C      -3.111585     -1.328052      3.183982
  C      -4.064175     -1.577180      4.192694
  O      -4.338029     -2.719662      4.744556
  C      -6.490070     -4.347549      3.647657
  C      -6.935372     -4.426858      4.975261
  C      -8.159201     -3.863275      5.357414
  C      -8.678212     -3.967118      6.739662
  O      -9.859819     -3.873007      7.031791
  C      -7.642575     -4.064562      7.886044
  O      -6.485804     -3.769847      7.850446
  F      -8.233194     -4.459928      9.042037
  C      -8.971318     -3.221819      4.396808
  C      -8.520633     -3.099003      3.095056
  C      -7.276765     -3.633670      2.707820
  C      -6.758019     -3.354295      1.354008
  O      -7.414547     -2.850664      0.451394
  C      -3.502517     -5.544086      7.024341
  C      -4.343017     -6.289292      7.865134
  C      -4.466424     -5.981023      9.224242
  C      -5.386738     -6.717543     10.113604
  O      -5.324313     -6.694571     11.336505
  C      -6.561816     -7.467665      9.454872
  O      -7.095132     -7.225756      8.411029
  F      -7.028533     -8.448897     10.267887
  C      -3.699393     -4.935139      9.788833
  C      -2.873569     -4.188149      8.975032
  C      -2.770023     -4.458419      7.591285
  C      -1.932037     -3.620704      6.785284
  O      -1.921442     -3.594614      5.532378
  H      -0.805688     -2.578112      0.941428
  H      -2.024600      1.501049      1.548485
  H      -3.599633      0.773310      3.300179
  H      -4.654870     -0.727828      4.560251
  H      -6.318671     -4.962215      5.697345
  H      -9.931305     -2.808711      4.707107
  H      -9.100446     -2.556980      2.345639
  H      -5.676985     -3.591786      1.210702
  H      -4.923960     -7.099797      7.427158
  H      -3.801375     -4.719316     10.851883
  H      -2.298565     -3.355307      9.387047
  H      -1.255207     -2.929858      7.324570
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.907276312658
  N      -2.386293     -3.672139      2.827427
  C      -1.518134     -4.602353      2.097422
  C      -1.612114     -6.004413      2.694542
  N      -3.010816     -6.303500      3.086035
  C      -3.922112     -6.379302      1.906626
  C      -5.333715     -6.062534      2.360288
  N      -5.254938     -4.929203      3.283475
  Mo     -3.569404     -4.483077      4.247887
  N      -3.396618     -5.888394      5.689303
  C      -2.815084     -7.192512      5.371882
  C      -3.136850     -7.524240      3.927322
  H      -3.212960     -7.983310      6.030202
  H      -1.720731     -7.165347      5.541460
  H      -4.182202     -7.851799      3.859032
  H      -2.494239     -8.330613      3.536038
  H      -5.964151     -5.850913      1.480544
  H      -5.796751     -6.928811      2.872922
  H      -3.597480     -5.620725      1.185131
  H      -3.848412     -7.369959      1.427983
  H      -0.463886     -4.283981      2.149443
  H      -1.787040     -4.614404      1.025875
  H      -1.003193     -6.066136      3.607631
  H      -1.231215     -6.752880      1.975875
  C      -2.300560     -2.337206      2.523398
  C      -1.437966     -1.884491      1.502715
  C      -1.350170     -0.542097      1.129459
  C      -0.440797     -0.193189      0.038385
  O       0.265013     -0.977031     -0.597726
  C      -0.355871      1.278452     -0.384573
  O      -0.737644      1.779296     -1.394129
  F       0.345721      2.012159      0.551466
  C      -2.151410      0.432799      1.779218
  C      -3.007074      0.030463      2.772220
  C      -3.124167     -1.331615      3.189005
  C      -4.057105     -1.578036      4.216088
  O      -4.315792     -2.719812      4.775683
  C      -6.473445     -4.313742      3.634583
  C      -6.920906     -4.376604      4.962893
  C      -8.144886     -3.807633      5.337598
  C      -8.665364     -3.890708      6.720700
  O      -9.844569     -3.760335      7.011907
  C      -7.642808     -4.059278      7.868067
  O      -6.483880     -3.770974      7.862387
  F      -8.252335     -4.500669      8.998137
  C      -8.956106     -3.180107      4.366647
  C      -8.504663     -3.075336      3.063945
  C      -7.258306     -3.611147      2.684961
  C      -6.731918     -3.336059      1.333453
  O      -7.395066     -2.879763      0.410597
  C      -3.506541     -5.565803      7.042340
  C      -4.349459     -6.310609      7.882317
  C      -4.466396     -6.009084      9.243531
  C      -5.386824     -6.747027     10.133274
  O      -5.329066     -6.717818     11.355972
  C      -6.552577     -7.513533      9.475453
  O      -7.105495     -7.265602      8.443588
  F      -6.987874     -8.516371     10.280438
  C      -3.691636     -4.971057      9.811914
  C      -2.860482     -4.227245      9.000315
  C      -2.761251     -4.491517      7.614654
  C      -1.915159     -3.655891      6.814139
  O      -1.905298     -3.621349      5.561634
  H      -0.813109     -2.585436      0.952015
  H      -2.091940      1.485306      1.497778
  H      -3.635883      0.765820      3.278873
  H      -4.641528     -0.728065      4.591910
  H      -6.306232     -4.904645      5.691937
  H      -9.916230     -2.762880      4.670962
  H      -9.084109     -2.543657      2.306699
  H      -5.646030     -3.559295      1.200685
  H      -4.938148     -7.113446      7.440888
  H      -3.789839     -4.759671     10.876252
  H      -2.276980     -3.401972      9.415731
  H      -1.230396     -2.976833      7.358672
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.907681951770
  N      -2.374558     -3.668443      2.855819
  C      -1.487703     -4.593943      2.143184
  C      -1.599610     -6.000342      2.726061
  N      -3.005949     -6.286676      3.099203
  C      -3.902250     -6.336969      1.906608
  C      -5.317226     -6.017021      2.344019
  N      -5.247059     -4.898311      3.286871
  Mo     -3.564634     -4.472847      4.268513
  N      -3.410977     -5.890525      5.702888
  C      -2.841651     -7.198737      5.378045
  C      -3.154892     -7.513333      3.927738
  H      -3.256102     -7.990105      6.025024
  H      -1.749059     -7.186960      5.558769
  H      -4.203490     -7.827430      3.848042
  H      -2.519798     -8.324338      3.534325
  H      -5.932349     -5.789752      1.457977
  H      -5.793266     -6.887731      2.836345
  H      -3.562406     -5.567971      1.203212
  H      -3.828538     -7.320046      1.413160
  H      -0.436690     -4.270067      2.220240
  H      -1.731120     -4.602645      1.065639
  H      -0.999001     -6.081392      3.642782
  H      -1.222762     -6.745449      2.002034
  C      -2.303575     -2.337719      2.528540
  C      -1.435346     -1.896077      1.508898
  C      -1.366165     -0.561694      1.103824
  C      -0.452593     -0.225017      0.013178
  O       0.272770     -1.011824     -0.596354
  C      -0.391620      1.235997     -0.447127
  O      -0.785460      1.706305     -1.466156
  F       0.292539      2.005705      0.472735
  C      -2.187884      0.414707      1.724726
  C      -3.039567      0.024368      2.725335
  C      -3.139324     -1.329354      3.173193
  C      -4.060263     -1.567247      4.211272
  O      -4.303022     -2.705563      4.783547
  C      -6.467233     -4.284324      3.630004
  C      -6.919197     -4.347326      4.956818
  C      -8.146777     -3.782811      5.326713
  C      -8.670664     -3.860611      6.708771
  O      -9.843963     -3.680156      6.999885
  C      -7.664239     -4.094075      7.855766
  O      -6.504872     -3.808501      7.881894
  F      -8.294894     -4.574690      8.958686
  C      -8.956848     -3.161144      4.351001
  C      -8.501995     -3.058118      3.049817
  C      -7.250491     -3.586228      2.676476
  C      -6.714210     -3.298161      1.332097
  O      -7.370299     -2.829693      0.410784
  C      -3.510547     -5.576010      7.058690
  C      -4.352271     -6.323874      7.897283
  C      -4.463270     -6.030796      9.260601
  C      -5.379463     -6.773922     10.151402
  O      -5.323627     -6.738417     11.373893
  C      -6.522585     -7.575701      9.498066
  O      -7.095780     -7.339621      8.474920
  F      -6.906037     -8.607490     10.294183
  C      -3.683935     -4.998165      9.832240
  C      -2.851629     -4.253651      9.023000
  C      -2.757068     -4.509668      7.635089
  C      -1.909263     -3.671133      6.839121
  O      -1.904713     -3.626872      5.586460
  H      -0.789517     -2.599323      0.986088
  H      -2.144636      1.460886      1.418089
  H      -3.678659      0.762943      3.213945
  H      -4.645066     -0.716449      4.584299
  H      -6.306153     -4.872514      5.688674
  H      -9.919350     -2.747045      4.651398
  H      -9.081395     -2.531135      2.289449
  H      -5.612978     -3.449542      1.227056
  H      -4.945216     -7.121658      7.452653
  H      -3.777941     -4.792602     10.897905
  H      -2.262834     -3.434213      9.441988
  H      -1.218676     -3.000632      7.386092
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.908129283349
  N      -2.362932     -3.663109      2.880309
  C      -1.462606     -4.586295      2.181742
  C      -1.591224     -5.996547      2.750944
  N      -3.003724     -6.268541      3.110881
  C      -3.889109     -6.294476      1.909135
  C      -5.306090     -5.970932      2.334241
  N      -5.243512     -4.866962      3.296932
  Mo     -3.558467     -4.463115      4.287711
  N      -3.416992     -5.890809      5.715706
  C      -2.862143     -7.203130      5.381757
  C      -3.172958     -7.500831      3.927413
  H      -3.290709     -7.994207      6.019518
  H      -1.770859     -7.207303      5.568858
  H      -4.225133     -7.800619      3.840320
  H      -2.547506     -8.316325      3.528570
  H      -5.906770     -5.727107      1.443185
  H      -5.795174     -6.845670      2.805732
  H      -3.537045     -5.516273      1.221996
  H      -3.816636     -7.270424      1.402114
  H      -0.413549     -4.261705      2.279087
  H      -1.686133     -4.590217      1.099995
  H      -0.996711     -6.097987      3.669188
  H      -1.221569     -6.738077      2.019919
  C      -2.302106     -2.336563      2.531270
  C      -1.423657     -1.902489      1.518269
  C      -1.372650     -0.576939      1.081941
  C      -0.448821     -0.249820     -0.001780
  O       0.303288     -1.036021     -0.578636
  C      -0.412780      1.198877     -0.500101
  O      -0.806808      1.633862     -1.534174
  F       0.257218      2.004525      0.398972
  C      -2.221190      0.398021      1.668328
  C      -3.074149      0.017178      2.670764
  C      -3.154982     -1.327181      3.149761
  C      -4.067378     -1.556588      4.195424
  O      -4.289997     -2.688756      4.785301
  C      -6.465414     -4.257288      3.634889
  C      -6.924992     -4.326732      4.958899
  C      -8.156056     -3.766210      5.323166
  C      -8.687536     -3.846632      6.701984
  O      -9.846454     -3.592154      6.996428
  C      -7.696761     -4.128466      7.849240
  O      -6.534406     -3.857251      7.896566
  F      -8.341060     -4.653464      8.923587
  C      -8.960138     -3.140534      4.345086
  C      -8.498402     -3.032956      3.047089
  C      -7.243019     -3.555960      2.680060
  C      -6.692343     -3.249411      1.345645
  O      -7.348316     -2.818756      0.406535
  C      -3.510115     -5.583835      7.073397
  C      -4.350489     -6.335879      7.909463
  C      -4.457260     -6.052390      9.274612
  C      -5.368815     -6.802931     10.163846
  O      -5.327954     -6.749612     11.386408
  C      -6.484558     -7.639570      9.511436
  O      -7.073478     -7.417513      8.494458
  F      -6.826428     -8.690599     10.302824
  C      -3.676300     -5.022771      9.849916
  C      -2.844526     -4.275271      9.043839
  C      -2.752617     -4.522264      7.653521
  C      -1.904195     -3.679935      6.861484
  O      -1.906465     -3.624384      5.608297
  H      -0.752557     -2.603489      1.025676
  H      -2.195970      1.436715      1.335737
  H      -3.728637      0.756408      3.137285
  H      -4.659473     -0.707045      4.559779
  H      -6.315794     -4.853574      5.692520
  H      -9.924622     -2.728510      4.641349
  H      -9.074106     -2.504241      2.285360
  H      -5.590805     -3.404186      1.247526
  H      -4.945974     -7.129751      7.461206
  H      -3.767388     -4.823491     10.916853
  H      -2.253032     -3.460195      9.467059
  H      -1.210875     -3.014205      7.409783
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.908484817577
  N      -2.351036     -3.664217      2.898517
  C      -1.437274     -4.588143      2.216697
  C      -1.580808     -6.001084      2.776790
  N      -2.998428     -6.261665      3.124400
  C      -3.877012     -6.271763      1.917015
  C      -5.295690     -5.942853      2.333338
  N      -5.237247     -4.848264      3.309488
  Mo     -3.547128     -4.465259      4.307146
  N      -3.413812     -5.899799      5.731440
  C      -2.874951     -7.216246      5.388042
  C      -3.185847     -7.498464      3.930974
  H      -3.316172     -8.006993      6.018092
  H      -1.784407     -7.236589      5.578680
  H      -4.241684     -7.783911      3.837764
  H      -2.569925     -8.318456      3.526198
  H      -5.884246     -5.686585      1.437223
  H      -5.797189     -6.819004      2.789520
  H      -3.515830     -5.490145      1.238843
  H      -3.806775     -7.244385      1.402859
  H      -0.389342     -4.267699      2.337977
  H      -1.638311     -4.586831      1.130471
  H      -0.994384     -6.117467      3.698314
  H      -1.214141     -6.740449      2.041878
  C      -2.302555     -2.340747      2.529874
  C      -1.423612     -1.903323      1.517628
  C      -1.395975     -0.584295      1.058221
  C      -0.469829     -0.254907     -0.022128
  O       0.309925     -1.031622     -0.575835
  C      -0.463845      1.184730     -0.547663
  O      -0.866680      1.590754     -1.590920
  F       0.196519      2.020749      0.330842
  C      -2.269646      0.382776      1.621668
  C      -3.118786      0.001322      2.626646
  C      -3.174130     -1.335946      3.129244
  C      -4.075567     -1.561272      4.184828
  O      -4.271269     -2.684868      4.797674
  C      -6.455373     -4.229870      3.638956
  C      -6.925308     -4.290080      4.960516
  C      -8.152776     -3.714560      5.313862
  C      -8.693443     -3.780020      6.689947
  O      -9.844540     -3.491932      6.984527
  C      -7.731968     -4.146456      7.838256
  O      -6.570385     -3.882381      7.931154
  F      -8.401150     -4.744380      8.856554
  C      -8.943956     -3.084049      4.327853
  C      -8.472595     -2.986721      3.032446
  C      -7.219456     -3.522944      2.677087
  C      -6.653679     -3.221898      1.346922
  O      -7.297961     -2.793437      0.398506
  C      -3.506318     -5.597120      7.089912
  C      -4.345681     -6.353648      7.924246
  C      -4.448222     -6.080518      9.291304
  C      -5.354085     -6.841304     10.176872
  O      -5.346321     -6.757104     11.398622
  C      -6.448166     -7.700608      9.519663
  O      -7.045643     -7.484717      8.506478
  F      -6.767849     -8.761751     10.307525
  C      -3.668043     -5.050984      9.870155
  C      -2.838408     -4.299050      9.066647
  C      -2.747361     -4.538091      7.673834
  C      -1.895788     -3.695494      6.884845
  O      -1.901584     -3.629695      5.631048
  H      -0.731877     -2.595173      1.041296
  H      -2.266418      1.415606      1.269678
  H      -3.789407      0.735335      3.078881
  H      -4.680023     -0.716955      4.541477
  H      -6.325227     -4.819646      5.700514
  H      -9.906140     -2.660633      4.616028
  H      -9.038441     -2.455888      2.264459
  H      -5.551185     -3.381456      1.261650
  H      -4.942381     -7.144884      7.472775
  H      -3.756589     -4.857941     10.938699
  H      -2.245494     -3.486775      9.493943
  H      -1.202563     -3.030749      7.434517
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.908820913703
  N      -2.349548     -3.660437      2.914543
  C      -1.421721     -4.581341      2.247806
  C      -1.575133     -5.996764      2.801433
  N      -2.996130     -6.249320      3.138258
  C      -3.866741     -6.253238      1.925266
  C      -5.288052     -5.922280      2.332998
  N      -5.233885     -4.836960      3.319442
  Mo     -3.547743     -4.456934      4.329183
  N      -3.413701     -5.899134      5.746937
  C      -2.888868     -7.218660      5.396236
  C      -3.198550     -7.488065      3.937194
  H      -3.341085     -8.009613      6.018324
  H      -1.799468     -7.252655      5.591078
  H      -4.256768     -7.762285      3.837957
  H      -2.588940     -8.311551      3.529658
  H      -5.866400     -5.656179      1.433030
  H      -5.798789     -6.799383      2.776698
  H      -3.498620     -5.472351      1.250339
  H      -3.796145     -7.225191      1.409737
  H      -0.377437     -4.258832      2.394610
  H      -1.599695     -4.575209      1.157683
  H      -0.995181     -6.121764      3.725753
  H      -1.209707     -6.734873      2.064734
  C      -2.310784     -2.342402      2.525059
  C      -1.426253     -1.909412      1.516302
  C      -1.411591     -0.598208      1.034193
  C      -0.476190     -0.270485     -0.037441
  O       0.324322     -1.041884     -0.568850
  C      -0.488990      1.159639     -0.588249
  O      -0.903501      1.542562     -1.635764
  F       0.164220      2.018976      0.272088
  C      -2.306216      0.366370      1.569976
  C      -3.160133     -0.009617      2.573108
  C      -3.198942     -1.338036      3.099076
  C      -4.094909     -1.556248      4.160661
  O      -4.265264     -2.670426      4.799030
  C      -6.446897     -4.209037      3.642978
  C      -6.926473     -4.265680      4.961085
  C      -8.147604     -3.674197      5.308471
  C      -8.694348     -3.734819      6.681158
  O      -9.828178     -3.392489      6.986046
  C      -7.757878     -4.176963      7.823483
  O      -6.599120     -3.915955      7.957786
  F      -8.444381     -4.841930      8.786391
  C      -8.925684     -3.030600      4.319637
  C      -8.446167     -2.938335      3.026757
  C      -7.197577     -3.489935      2.678267
  C      -6.621822     -3.193329      1.351565
  O      -7.254222     -2.750557      0.401523
  C      -3.508137     -5.601750      7.105675
  C      -4.344937     -6.364885      7.937342
  C      -4.443391     -6.103652      9.306413
  C      -5.348431     -6.870220     10.186086
  O      -5.352215     -6.786566     11.407793
  C      -6.409008     -7.768326      9.525382
  O      -7.022214     -7.565284      8.519323
  F      -6.674507     -8.854548     10.298893
  C      -3.661663     -5.077641      9.891146
  C      -2.835518     -4.319233      9.091264
  C      -2.749228     -4.545900      7.696010
  C      -1.900873     -3.700379      6.909076
  O      -1.914433     -3.624501      5.655108
  H      -0.718187     -2.598063      1.059668
  H      -2.314570      1.392141      1.197957
  H      -3.844978      0.722098      3.007272
  H      -4.713276     -0.717617      4.506072
  H      -6.336987     -4.805035      5.702779
  H      -9.884131     -2.595918      4.603346
  H      -9.001873     -2.400563      2.256210
  H      -5.520759     -3.365516      1.273825
  H      -4.943021     -7.152411      7.481562
  H      -3.747121     -4.893223     10.961466
  H      -2.241536     -3.510141      9.523184
  H      -1.205011     -3.037743      7.457315
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.909106936349
  N      -2.359051     -3.656004      2.922629
  C      -1.421778     -4.572672      2.264373
  C      -1.575517     -5.987974      2.817523
  N      -2.996110     -6.238723      3.150495
  C      -3.863086     -6.248656      1.935789
  C      -5.286732     -5.919279      2.340571
  N      -5.233657     -4.840787      3.332500
  Mo     -3.555401     -4.447807      4.350155
  N      -3.404448     -5.894863      5.758120
  C      -2.887260     -7.215371      5.404278
  C      -3.201169     -7.478509      3.946402
  H      -3.341744     -8.006614      6.023835
  H      -1.797870     -7.254626      5.597568
  H      -4.260102     -7.749133      3.848057
  H      -2.593765     -8.302182      3.535893
  H      -5.860388     -5.645990      1.439989
  H      -5.801645     -6.796761      2.777418
  H      -3.493678     -5.472971      1.255517
  H      -3.791092     -7.223389      1.425921
  H      -0.381158     -4.246364      2.427603
  H      -1.586763     -4.564158      1.172644
  H      -0.998000     -6.110963      3.743445
  H      -1.209378     -6.726591      2.082049
  C      -2.328639     -2.343880      2.514801
  C      -1.432730     -1.916702      1.514856
  C      -1.425836     -0.613250      1.012773
  C      -0.473937     -0.286431     -0.043251
  O       0.350887     -1.051232     -0.545885
  C      -0.492337      1.137490     -0.609505
  O      -0.908856      1.506456     -1.660706
  F       0.157307      2.008080      0.240503
  C      -2.341773      0.349213      1.515453
  C      -3.208345     -0.020620      2.510584
  C      -3.234735     -1.339449      3.058325
  C      -4.131133     -1.552070      4.120226
  O      -4.270690     -2.655035      4.788437
  C      -6.440808     -4.200182      3.650317
  C      -6.932640     -4.260350      4.962844
  C      -8.140534     -3.642356      5.308368
  C      -8.690953     -3.700617      6.677452
  O      -9.798370     -3.292052      6.997898
  C      -7.781205     -4.219148      7.809545
  O      -6.625942     -3.966041      7.983298
  F      -8.491186     -4.927083      8.723331
  C      -8.897189     -2.968855      4.322758
  C      -8.408005     -2.877172      3.033413
  C      -7.170338     -3.454678      2.687561
  C      -6.583955     -3.160623      1.365428
  O      -7.198742     -2.677149      0.423879
  C      -3.508514     -5.601963      7.116155
  C      -4.340044     -6.376170      7.942510
  C      -4.437914     -6.127663      9.313688
  C      -5.335484     -6.905927     10.187631
  O      -5.368386     -6.800362     11.407699
  C      -6.364293     -7.838784      9.525543
  O      -6.981729     -7.655480      8.518326
  F      -6.600150     -8.930857     10.300525
  C      -3.662607     -5.099703      9.905474
  C      -2.842055     -4.330362      9.111311
  C      -2.756127     -4.545109      7.714675
  C      -1.916414     -3.693481      6.929954
  O      -1.939127     -3.611422      5.675718
  H      -0.708406     -2.602922      1.080743
  H      -2.355150      1.367743      1.124656
  H      -3.909289      0.708326      2.922330
  H      -4.769984     -0.722340      4.447727
  H      -6.358634     -4.818660      5.702605
  H      -9.845939     -2.513363      4.605769
  H      -8.946116     -2.319330      2.265044
  H      -5.489704     -3.367518      1.287732
  H      -4.933403     -7.164216      7.481637
  H      -3.747726     -4.925290     10.977294
  H      -2.252932     -3.520889      9.548618
  H      -1.218287     -3.031020      7.474562
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.909320533427
  N      -2.355412     -3.657024      2.931592
  C      -1.412809     -4.575365      2.282504
  C      -1.570165     -5.988011      2.838437
  N      -2.991707     -6.235528      3.165415
  C      -3.855851     -6.245266      1.949088
  C      -5.279903     -5.910852      2.352215
  N      -5.222316     -4.839477      3.351058
  Mo     -3.545936     -4.449018      4.370596
  N      -3.386469     -5.897828      5.768529
  C      -2.879102     -7.221354      5.413526
  C      -3.199991     -7.478812      3.957121
  H      -3.335306     -8.010356      6.034215
  H      -1.789064     -7.266492      5.602257
  H      -4.260520     -7.743962      3.862322
  H      -2.597414     -8.303231      3.540911
  H      -5.848799     -5.626046      1.452018
  H      -5.801834     -6.787600      2.781533
  H      -3.482017     -5.474328      1.265506
  H      -3.787164     -7.222034      1.442530
  H      -0.372364     -4.253689      2.455077
  H      -1.570058     -4.567128      1.189960
  H      -0.998522     -6.106070      3.768633
  H      -1.200002     -6.729326      2.107724
  C      -2.337215     -2.349738      2.508716
  C      -1.440719     -1.921578      1.509055
  C      -1.453891     -0.625602      0.988094
  C      -0.497784     -0.295469     -0.063564
  O       0.341362     -1.053222     -0.553009
  C      -0.543134      1.117373     -0.655910
  O      -0.983556      1.460546     -1.706375
  F       0.110455      2.010960      0.165824
  C      -2.390731      0.327951      1.466837
  C      -3.257947     -0.041239      2.462370
  C      -3.261772     -1.350584      3.031173
  C      -4.153510     -1.561709      4.097863
  O      -4.256208     -2.650978      4.795128
  C      -6.422689     -4.180215      3.660280
  C      -6.936169     -4.255122      4.963499
  C      -8.132053     -3.611633      5.304756
  C      -8.699450     -3.681986      6.665174
  O      -9.791216     -3.234965      6.987001
  C      -7.824235     -4.258278      7.797317
  O      -6.679213     -4.002162      8.022699
  F      -8.556716     -5.026929      8.641589
  C      -8.856180     -2.897568      4.323983
  C      -8.346202     -2.793410      3.043567
  C      -7.119589     -3.396806      2.702673
  C      -6.510908     -3.094056      1.391853
  O      -7.099472     -2.560687      0.460687
  C      -3.505326     -5.606554      7.125886
  C      -4.342121     -6.383836      7.943545
  C      -4.448004     -6.141540      9.315815
  C      -5.348854     -6.921541     10.183162
  O      -5.399485     -6.805278     11.403234
  C      -6.336609     -7.896874      9.522998
  O      -6.949889     -7.748349      8.506896
  F      -6.532080     -8.994775     10.302614
  C      -3.675864     -5.114559      9.915766
  C      -2.849657     -4.342553      9.130166
  C      -2.754898     -4.551581      7.733117
  C      -1.915052     -3.697806      6.954468
  O      -1.937806     -3.612377      5.699607
  H      -0.701215     -2.599767      1.088185
  H      -2.418324      1.339472      1.058790
  H      -3.975366      0.680715      2.857625
  H      -4.812118     -0.741638      4.409516
  H      -6.384924     -4.840860      5.699801
  H      -9.795352     -2.420849      4.604173
  H      -8.857631     -2.205113      2.279716
  H      -5.425855     -3.343130      1.315181
  H      -4.933222     -7.169840      7.476465
  H      -3.767726     -4.944867     10.987784
  H      -2.263445     -3.534577      9.574181
  H      -1.216598     -3.036912      7.500662
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.909560719917
  N      -2.348977     -3.657382      2.946141
  C      -1.400837     -4.574347      2.304545
  C      -1.560955     -5.984886      2.861412
  N      -2.984415     -6.228856      3.181512
  C      -3.843291     -6.230413      1.961116
  C      -5.267586     -5.889664      2.359554
  N      -5.205356     -4.834160      3.373229
  Mo     -3.533125     -4.446378      4.395796
  N      -3.367841     -5.900050      5.779700
  C      -2.870053     -7.226559      5.422482
  C      -3.197250     -7.476779      3.966344
  H      -3.329177     -8.012956      6.043663
  H      -1.779720     -7.278434      5.607613
  H      -4.259639     -7.735517      3.874598
  H      -2.600348     -8.301639      3.543136
  H      -5.829206     -5.585146      1.461158
  H      -5.798729     -6.768138      2.773539
  H      -3.461815     -5.460239      1.280947
  H      -3.777602     -7.206024      1.452018
  H      -0.360990     -4.252160      2.481273
  H      -1.553317     -4.567858      1.211463
  H      -0.994000     -6.099797      3.794862
  H      -1.187368     -6.728084      2.134379
  C      -2.349746     -2.357786      2.502862
  C      -1.455984     -1.933012      1.499165
  C      -1.496362     -0.649339      0.949996
  C      -0.541792     -0.321172     -0.104814
  O       0.320573     -1.068442     -0.568858
  C      -0.607423      1.081351     -0.719334
  O      -1.067851      1.403156     -1.768133
  F       0.058081      1.990953      0.073892
  C      -2.455176      0.293955      1.402655
  C      -3.317281     -0.069878      2.405299
  C      -3.293229     -1.365377      3.003160
  C      -4.172581     -1.571287      4.081565
  O      -4.236525     -2.645032      4.806845
  C      -6.397702     -4.155184      3.676405
  C      -6.938506     -4.253095      4.966953
  C      -8.122709     -3.585643      5.304335
  C      -8.714824     -3.679223      6.652002
  O      -9.797098     -3.206620      6.970716
  C      -7.880292     -4.313251      7.782123
  O      -6.751045     -4.052673      8.070667
  F      -8.633598     -5.150039      8.539977
  C      -8.805849     -2.821928      4.332188
  C      -8.266701     -2.694345      3.066100
  C      -7.051886     -3.323816      2.729955
  C      -6.409936     -3.002077      1.439040
  O      -6.962960     -2.412857      0.519880
  C      -3.501807     -5.612218      7.136884
  C      -4.346192     -6.392131      7.943707
  C      -4.463186     -6.155589      9.316551
  C      -5.365898     -6.940801     10.176493
  O      -5.446884     -6.802348     11.393831
  C      -6.307555     -7.960088      9.517738
  O      -6.906438     -7.854477      8.487382
  F      -6.480466     -9.048562     10.316967
  C      -3.696767     -5.129341      9.926451
  C      -2.861446     -4.355898      9.151875
  C      -2.753214     -4.559949      7.754797
  C      -1.910841     -3.702263      6.984910
  O      -1.932053     -3.611729      5.729403
  H      -0.699120     -2.603891      1.097019
  H      -2.502057      1.294946      0.970824
  H      -4.050943      0.645262      2.782742
  H      -4.846097     -0.758866      4.381076
  H      -6.416591     -4.874042      5.696211
  H      -9.735601     -2.325228      4.609347
  H      -8.744434     -2.068102      2.310586
  H      -5.335480     -3.294203      1.366178
  H      -4.934688     -7.175668      7.469142
  H      -3.798547     -4.963923     10.998219
  H      -2.278686     -3.550002      9.604223
  H      -1.213896     -3.043651      7.535726
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.909805327418
  N      -2.335504     -3.660079      2.962411
  C      -1.385820     -4.575662      2.323989
  C      -1.546378     -5.983365      2.883944
  N      -2.972441     -6.226101      3.197966
  C      -3.827347     -6.216528      1.973634
  C      -5.250141     -5.865781      2.368921
  N      -5.178117     -4.830044      3.399605
  Mo     -3.511376     -4.445337      4.421408
  N      -3.344225     -5.903010      5.788464
  C      -2.853243     -7.232507      5.432095
  C      -3.187171     -7.478763      3.975950
  H      -3.313994     -8.014460      6.056846
  H      -1.762547     -7.288615      5.613119
  H      -4.251368     -7.732391      3.888486
  H      -2.595507     -8.303120      3.545143
  H      -5.806402     -5.536214      1.475884
  H      -5.790780     -6.746586      2.765810
  H      -3.437600     -5.446257      1.298754
  H      -3.765973     -7.190048      1.460282
  H      -0.344922     -4.251246      2.492779
  H      -1.542410     -4.574215      1.231333
  H      -0.983495     -6.092467      3.820641
  H      -1.167343     -6.729153      2.162383
  C      -2.361734     -2.368963      2.498807
  C      -1.478382     -1.947585      1.483886
  C      -1.553116     -0.678391      0.905442
  C      -0.609224     -0.353731     -0.162222
  O       0.260561     -1.096408     -0.618505
  C      -0.714224      1.029198     -0.814296
  O      -1.218763      1.315596     -1.853365
  F      -0.028554      1.966742     -0.073421
  C      -2.532017      0.251465      1.338956
  C      -3.379695     -0.106345      2.356541
  C      -3.322369     -1.386246      2.984225
  C      -4.183259     -1.586346      4.079508
  O      -4.209807     -2.644762      4.827840
  C      -6.359889     -4.127227      3.700074
  C      -6.941029     -4.265321      4.968996
  C      -8.111605     -3.571885      5.303031
  C      -8.742490     -3.709312      6.628836
  O      -9.828688     -3.235106      6.934263
  C      -7.947577     -4.390923      7.755808
  O      -6.838180     -4.124746      8.107128
  F      -8.716827     -5.285452      8.429507
  C      -8.734707     -2.736990      4.349900
  C      -8.148735     -2.565272      3.110370
  C      -6.948594     -3.224901      2.778646
  C      -6.249517     -2.865572      1.526907
  O      -6.744082     -2.196046      0.629533
  C      -3.500149     -5.616598      7.145079
  C      -4.357655     -6.396948      7.936840
  C      -4.494245     -6.163001      9.309086
  C      -5.399277     -6.955163     10.160928
  O      -5.516334     -6.788806     11.373009
  C      -6.292886     -8.016895      9.504337
  O      -6.856152     -7.967834      8.449342
  F      -6.473124     -9.076538     10.340941
  C      -3.737871     -5.136045      9.930922
  C      -2.887239     -4.363824      9.171527
  C      -2.755413     -4.566456      7.775710
  C      -1.903210     -3.705573      7.019814
  O      -1.913191     -3.611266      5.763404
  H      -0.705627     -2.610248      1.097705
  H      -2.604292      1.240196      0.882668
  H      -4.127685      0.600823      2.720844
  H      -4.866347     -0.778894      4.371332
  H      -6.462012     -4.936926      5.683447
  H      -9.653472     -2.218422      4.624276
  H      -8.575500     -1.882048      2.373743
  H      -5.190914     -3.213144      1.461585
  H      -4.940525     -7.179338      7.453362
  H      -3.856568     -4.972205     11.001211
  H      -2.309843     -3.560057      9.634626
  H      -1.212749     -3.049200      7.581419
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.909936163228
  N      -2.328693     -3.661647      2.962331
  C      -1.384400     -4.577853      2.318398
  C      -1.544365     -5.985487      2.879327
  N      -2.970969     -6.229530      3.195576
  C      -3.829326     -6.218452      1.973117
  C      -5.249550     -5.865086      2.373425
  N      -5.171218     -4.831321      3.404654
  Mo     -3.503576     -4.445544      4.419671
  N      -3.338002     -5.902635      5.784587
  C      -2.846383     -7.232321      5.430015
  C      -3.183083     -7.481401      3.974031
  H      -3.306268     -8.011932      6.058256
  H      -1.755522     -7.287321      5.609121
  H      -4.247552     -7.735282      3.888606
  H      -2.592100     -8.305278      3.541844
  H      -5.810280     -5.530986      1.484765
  H      -5.789406     -6.746669      2.770396
  H      -3.441263     -5.447592      1.298342
  H      -3.769540     -7.191724      1.459466
  H      -0.341902     -4.253158      2.476008
  H      -1.549321     -4.577968      1.226629
  H      -0.980741     -6.094614      3.815611
  H      -1.165061     -6.731674      2.158420
  C      -2.358530     -2.368928      2.500308
  C      -1.481736     -1.946756      1.479669
  C      -1.560532     -0.677180      0.902401
  C      -0.625897     -0.353855     -0.174031
  O       0.244065     -1.095101     -0.631871
  C      -0.731634      1.030737     -0.822023
  O      -1.245570      1.321781     -1.855172
  F      -0.033708      1.963736     -0.086803
  C      -2.535195      0.252260      1.345504
  C      -3.373373     -0.105547      2.370472
  C      -3.313450     -1.386475      2.996347
  C      -4.170096     -1.586843      4.095327
  O      -4.202277     -2.648573      4.838009
  C      -6.353228     -4.128747      3.709866
  C      -6.940766     -4.275286      4.974509
  C      -8.111591     -3.580504      5.305997
  C      -8.753221     -3.730750      6.625509
  O      -9.854308     -3.282842      6.917763
  C      -7.953169     -4.397423      7.755842
  O      -6.842442     -4.127047      8.099268
  F      -8.717302     -5.286612      8.443219
  C      -8.723784     -2.733563      4.356245
  C      -8.130128     -2.553980      3.121791
  C      -6.933246     -3.219786      2.790525
  C      -6.233025     -2.873120      1.535716
  O      -6.715987     -2.187004      0.644116
  C      -3.499124     -5.613554      7.141051
  C      -4.360969     -6.391313      7.930345
  C      -4.502307     -6.155187      9.301909
  C      -5.410644     -6.944936     10.153374
  O      -5.524610     -6.778847     11.365466
  C      -6.309013     -8.000938      9.494409
  O      -6.848724     -7.963174      8.426676
  F      -6.525133     -9.041960     10.345360
  C      -3.746378     -5.128928      9.924785
  C      -2.891908     -4.359208      9.167598
  C      -2.755297     -4.563300      7.772241
  C      -1.896420     -3.703978      7.020603
  O      -1.897546     -3.610007      5.764177
  H      -0.711807     -2.609974      1.089784
  H      -2.612817      1.240931      0.890085
  H      -4.117711      0.602103      2.741048
  H      -4.845245     -0.774943      4.393249
  H      -6.467803     -4.952677      5.687542
  H      -9.643202     -2.214982      4.628466
  H      -8.550689     -1.865349      2.386594
  H      -5.187788     -3.255123      1.457040
  H      -4.942707     -7.174271      7.446603
  H      -3.869097     -4.962767     10.994218
  H      -2.314173     -3.556599      9.632197
  H      -1.209127     -3.049027      7.587481
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910056998307
  N      -2.318420     -3.660375      2.975454
  C      -1.369695     -4.574758      2.336445
  C      -1.536902     -5.983965      2.891900
  N      -2.965791     -6.221653      3.203092
  C      -3.822646     -6.205013      1.979728
  C      -5.241955     -5.848117      2.381276
  N      -5.160236     -4.820680      3.418540
  Mo     -3.494397     -4.437395      4.434143
  N      -3.328573     -5.900217      5.790374
  C      -2.846760     -7.232122      5.432771
  C      -3.185937     -7.473986      3.976437
  H      -3.314197     -8.008793      6.059051
  H      -1.756753     -7.296271      5.612504
  H      -4.252161     -7.720031      3.890067
  H      -2.600694     -8.299793      3.540147
  H      -5.800671     -5.503783      1.495331
  H      -5.787320     -6.729839      2.770531
  H      -3.432441     -5.433971      1.306374
  H      -3.764317     -7.177974      1.465645
  H      -0.329097     -4.248838      2.502072
  H      -1.525898     -4.572200      1.243219
  H      -0.977295     -6.101856      3.829366
  H      -1.160191     -6.729448      2.169076
  C      -2.360422     -2.371331      2.497252
  C      -1.485924     -1.951426      1.474070
  C      -1.579057     -0.690952      0.878644
  C      -0.646346     -0.368953     -0.198457
  O       0.239064     -1.101408     -0.640875
  C      -0.773614      1.002891     -0.868578
  O      -1.310201      1.272304     -1.895998
  F      -0.068306      1.953592     -0.164315
  C      -2.565772      0.232149      1.308873
  C      -3.397192     -0.120583      2.340571
  C      -3.321998     -1.391971      2.983970
  C      -4.168821     -1.584778      4.091561
  O      -4.186465     -2.639086      4.846001
  C      -6.338787     -4.111549      3.724216
  C      -6.942765     -4.273949      4.978181
  C      -8.107744     -3.568529      5.307938
  C      -8.768697     -3.737484      6.615215
  O      -9.864886     -3.277303      6.907277
  C      -7.992215     -4.445882      7.735440
  O      -6.889567     -4.186570      8.112525
  F      -8.768591     -5.357793      8.377905
  C      -8.695605     -2.693806      4.367600
  C      -8.086020     -2.500008      3.143307
  C      -6.895930     -3.178700      2.813116
  C      -6.184449     -2.832219      1.564783
  O      -6.642790     -2.110655      0.687879
  C      -3.498854     -5.611405      7.145918
  C      -4.363394     -6.392680      7.928766
  C      -4.508800     -6.164506      9.300894
  C      -5.419115     -6.957289     10.147407
  O      -5.547430     -6.781814     11.356636
  C      -6.295765     -8.031187      9.489150
  O      -6.807220     -8.024365      8.406825
  F      -6.527904     -9.054380     10.357538
  C      -3.754614     -5.139898      9.930054
  C      -2.898731     -4.366775      9.179269
  C      -2.757852     -4.562956      7.782890
  C      -1.893472     -3.703078      7.039503
  O      -1.888315     -3.601711      5.783171
  H      -0.705465     -2.609369      1.097576
  H      -2.658582      1.212149      0.837793
  H      -4.148143      0.584068      2.703175
  H      -4.844448     -0.773638      4.389215
  H      -6.486292     -4.968801      5.684932
  H      -9.611600     -2.168516      4.638469
  H      -8.488977     -1.793194      2.415605
  H      -5.156648     -3.253874      1.474560
  H      -4.942401     -7.174519      7.440553
  H      -3.880486     -4.978232     10.999762
  H      -2.321763     -3.567150      9.649894
  H      -1.207172     -3.052693      7.612203
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910145256671
  N      -2.308592     -3.659726      2.980905
  C      -1.361368     -4.574578      2.340748
  C      -1.533771     -5.984761      2.892180
  N      -2.963020     -6.216605      3.205613
  C      -3.823190     -6.198009      1.984727
  C      -5.240759     -5.838945      2.391805
  N      -5.153929     -4.810598      3.428170
  Mo     -3.486691     -4.428730      4.438820
  N      -3.317988     -5.894055      5.791425
  C      -2.843203     -7.227863      5.434118
  C      -3.186477     -7.467622      3.978987
  H      -3.315243     -8.001265      6.061008
  H      -1.753588     -7.297901      5.613188
  H      -4.253678     -7.709567      3.894705
  H      -2.605468     -8.295623      3.540827
  H      -5.802139     -5.491594      1.508689
  H      -5.788298     -6.719122      2.781235
  H      -3.434191     -5.427355      1.309820
  H      -3.767107     -7.171718      1.471922
  H      -0.321094     -4.249656      2.509120
  H      -1.515510     -4.569544      1.247203
  H      -0.973497     -6.111515      3.828013
  H      -1.163610     -6.729629      2.165403
  C      -2.355297     -2.372464      2.492882
  C      -1.483467     -1.957121      1.466612
  C      -1.580638     -0.701602      0.860788
  C      -0.648409     -0.382200     -0.215923
  O       0.242731     -1.112186     -0.651864
  C      -0.790752      0.978550     -0.904721
  O      -1.350779      1.231303     -1.923935
  F      -0.070617      1.940961     -0.232439
  C      -2.570129      0.221325      1.286612
  C      -3.396288     -0.125702      2.324127
  C      -3.316062     -1.392110      2.976924
  C      -4.157676     -1.577826      4.089346
  O      -4.172985     -2.629391      4.848998
  C      -6.332393     -4.101330      3.738773
  C      -6.948885     -4.285329      4.982815
  C      -8.113429     -3.579117      5.314369
  C      -8.795119     -3.774632      6.607410
  O      -9.896490     -3.323197      6.892271
  C      -8.032708     -4.505543      7.723090
  O      -6.936401     -4.251243      8.121976
  F      -8.812499     -5.435816      8.334424
  C      -8.685194     -2.680565      4.386729
  C      -8.061808     -2.463654      3.173435
  C      -6.874024     -3.144958      2.840492
  C      -6.154836     -2.784858      1.600786
  O      -6.594097     -2.025632      0.745772
  C      -3.497034     -5.602578      7.145210
  C      -4.362011     -6.387679      7.923937
  C      -4.514202     -6.162496      9.295565
  C      -5.426550     -6.955840     10.139646
  O      -5.561209     -6.773314     11.347363
  C      -6.288211     -8.042890      9.483422
  O      -6.761135     -8.071010      8.383618
  F      -6.555384     -9.038714     10.373391
  C      -3.764937     -5.134999      9.927732
  C      -2.909072     -4.358812      9.181028
  C      -2.762259     -4.551840      7.784453
  C      -1.892224     -3.693080      7.047826
  O      -1.875973     -3.588438      5.791511
  H      -0.699537     -2.614858      1.096787
  H      -2.670410      1.196356      0.806803
  H      -4.147405      0.580062      2.684201
  H      -4.829071     -0.764316      4.389182
  H      -6.503557     -4.996593      5.680059
  H      -9.601110     -2.155714      4.658934
  H      -8.452197     -1.738048      2.457563
  H      -5.141321     -3.234438      1.494727
  H      -4.936035     -7.171539      7.433417
  H      -3.894836     -4.974285     10.997122
  H      -2.335833     -3.558511      9.655145
  H      -1.206718     -3.046995      7.626380
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910188142556
  N      -2.304557     -3.660299      2.982088
  C      -1.357312     -4.576304      2.342263
  C      -1.532572     -5.986834      2.892121
  N      -2.961560     -6.214531      3.207357
  C      -3.823424     -6.194151      1.988027
  C      -5.240460     -5.833844      2.396995
  N      -5.151637     -4.804589      3.432642
  Mo     -3.482427     -4.425397      4.439656
  N      -3.310025     -5.890917      5.792216
  C      -2.841082     -7.226549      5.435423
  C      -3.187272     -7.465075      3.981263
  H      -3.315438     -7.998349      6.062460
  H      -1.751606     -7.300530      5.613728
  H      -4.255013     -7.704755      3.898681
  H      -2.608987     -8.294896      3.542679
  H      -5.801647     -5.485445      1.513910
  H      -5.790273     -6.712185      2.786856
  H      -3.434084     -5.423660      1.312986
  H      -3.769517     -7.167804      1.474746
  H      -0.317169     -4.253199      2.515020
  H      -1.509123     -4.569880      1.248634
  H      -0.971249     -6.118037      3.826708
  H      -1.166800     -6.731359      2.162761
  C      -2.352974     -2.374372      2.489516
  C      -1.484314     -1.961741      1.460187
  C      -1.582895     -0.708024      0.850679
  C      -0.651261     -0.389206     -0.225957
  O       0.244023     -1.116623     -0.658264
  C      -0.796314      0.969398     -0.918137
  O      -1.370331      1.220243     -1.930091
  F      -0.060342      1.930704     -0.262056
  C      -2.571782      0.215870      1.276406
  C      -3.395362     -0.128542      2.316968
  C      -3.313037     -1.393026      2.973126
  C      -4.152173     -1.575596      4.088037
  O      -4.164532     -2.625365      4.851179
  C      -6.330005     -4.095398      3.744538
  C      -6.952322     -4.289845      4.983692
  C      -8.116174     -3.583315      5.317413
  C      -8.808268     -3.792344      6.602777
  O      -9.907302     -3.336181      6.887701
  C      -8.058530     -4.545956      7.713135
  O      -6.964244     -4.303664      8.124904
  F      -8.848527     -5.480402      8.304388
  C      -8.679566     -2.671947      4.397609
  C      -8.050043     -2.444293      3.189213
  C      -6.864708     -3.128101      2.853176
  C      -6.143382     -2.761111      1.616825
  O      -6.574477     -1.983403      0.774389
  C      -3.494053     -5.597577      7.144489
  C      -4.358579     -6.385018      7.921772
  C      -4.516241     -6.159284      9.292572
  C      -5.428240     -6.952923     10.136836
  O      -5.563358     -6.766588     11.344317
  C      -6.281396     -8.049235      9.484816
  O      -6.731958     -8.100365      8.376114
  F      -6.565149     -9.029328     10.387237
  C      -3.771727     -5.127806      9.925177
  C      -2.916368     -4.349784      9.180083
  C      -2.764459     -4.543719      7.784054
  C      -1.891198     -3.686868      7.050441
  O      -1.866873     -3.582400      5.794321
  H      -0.700588     -2.619768      1.090245
  H      -2.674186      1.189276      0.793809
  H      -4.145789      0.577989      2.676859
  H      -4.822629     -0.761834      4.388890
  H      -6.511942     -5.009420      5.675649
  H      -9.594398     -2.146189      4.671639
  H      -8.434357     -1.709012      2.480065
  H      -5.136337     -3.223032      1.501451
  H      -4.928887     -7.171096      7.430734
  H      -3.904578     -4.966375     10.994061
  H      -2.347196     -3.547111      9.655059
  H      -1.206329     -3.042593      7.632134
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910233471146
  N      -2.304307     -3.661070      2.978952
  C      -1.359419     -4.578293      2.335746
  C      -1.534987     -5.988958      2.884423
  N      -2.962221     -6.212678      3.206268
  C      -3.828291     -6.191528      1.990239
  C      -5.244455     -5.831568      2.402758
  N      -5.152811     -4.801427      3.437157
  Mo     -3.481098     -4.420535      4.436895
  N      -3.297418     -5.885174      5.790620
  C      -2.834594     -7.222860      5.434887
  C      -3.186753     -7.462308      3.982636
  H      -3.308583     -7.993316      6.063626
  H      -1.744775     -7.299460      5.610034
  H      -4.254795     -7.701815      3.904636
  H      -2.610822     -8.293738      3.543815
  H      -5.806698     -5.483174      1.520005
  H      -5.794995     -6.708257      2.794690
  H      -3.440434     -5.420627      1.314854
  H      -3.777031     -7.164567      1.475288
  H      -0.319064     -4.256418      2.509948
  H      -1.513204     -4.570391      1.242867
  H      -0.968283     -6.123629      3.815241
  H      -1.176228     -6.732757      2.150832
  C      -2.349688     -2.375525      2.485324
  C      -1.481926     -1.967045      1.454498
  C      -1.574917     -0.712297      0.846267
  C      -0.640691     -0.394743     -0.228101
  O       0.247866     -1.127258     -0.666082
  C      -0.782778      0.963506     -0.921253
  O      -1.380316      1.219229     -1.918421
  F      -0.013529      1.914711     -0.290144
  C      -2.558464      0.216252      1.274211
  C      -3.382687     -0.124883      2.315690
  C      -3.304984     -1.390182      2.970574
  C      -4.144166     -1.570269      4.085686
  O      -4.158229     -2.620426      4.849731
  C      -6.332163     -4.094747      3.753025
  C      -6.958559     -4.300839      4.988193
  C      -8.123224     -3.596895      5.325766
  C      -8.824760     -3.819685      6.603782
  O      -9.923148     -3.361817      6.887373
  C      -8.088502     -4.594928      7.709438
  O      -6.994041     -4.369082      8.129973
  F      -8.890320     -5.531109      8.281803
  C      -8.681081     -2.674196      4.414472
  C      -8.047656     -2.435579      3.209990
  C      -6.864197     -3.119565      2.868929
  C      -6.145824     -2.747054      1.632508
  O      -6.574137     -1.955313      0.801943
  C      -3.486684     -5.590073      7.140976
  C      -4.348647     -6.381094      7.918244
  C      -4.514483     -6.151175      9.287106
  C      -5.425270     -6.945296     10.132440
  O      -5.560411     -6.754241     11.339575
  C      -6.275067     -8.046405      9.483321
  O      -6.694437     -8.122562      8.363452
  F      -6.596830     -8.999587     10.401543
  C      -3.779269     -5.111697      9.918650
  C      -2.925795     -4.330925      9.174348
  C      -2.766393     -4.529049      7.779742
  C      -1.891395     -3.673542      7.047818
  O      -1.857586     -3.572251      5.792055
  H      -0.701808     -2.628225      1.082056
  H      -2.656209      1.190624      0.792678
  H      -4.129438      0.584710      2.676996
  H      -4.812553     -0.755491      4.387972
  H      -6.520763     -5.027853      5.674087
  H      -9.595474     -2.149228      4.691322
  H      -8.429241     -1.692722      2.507401
  H      -5.144811     -3.219421      1.504412
  H      -4.913001     -7.172043      7.428252
  H      -3.917157     -4.947376     10.986375
  H      -2.364347     -3.522482      9.648649
  H      -1.208431     -3.029199      7.632336
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910292074836
  N      -2.303179     -3.664513      2.974261
  C      -1.360923     -4.583736      2.327882
  C      -1.536054     -5.993867      2.877336
  N      -2.961426     -6.213796      3.206849
  C      -3.833546     -6.192385      1.995189
  C      -5.247808     -5.830866      2.413014
  N      -5.149931     -4.801620      3.447670
  Mo     -3.475261     -4.418109      4.435396
  N      -3.274403     -5.879846      5.789218
  C      -2.821179     -7.221124      5.435515
  C      -3.183402     -7.462681      3.986054
  H      -3.293684     -7.988488      6.068764
  H      -1.730611     -7.301285      5.604276
  H      -4.252239     -7.701184      3.915655
  H      -2.611505     -8.295820      3.545185
  H      -5.811404     -5.479563      1.531935
  H      -5.799665     -6.705875      2.806533
  H      -3.447696     -5.421953      1.318297
  H      -3.786838     -7.164977      1.478671
  H      -0.319936     -4.263417      2.501160
  H      -1.519071     -4.575349      1.236071
  H      -0.963452     -6.129002      3.804437
  H      -1.183448     -6.737847      2.140916
  C      -2.348837     -2.379904      2.478442
  C      -1.485400     -1.974529      1.443002
  C      -1.579986     -0.720672      0.833204
  C      -0.648217     -0.404822     -0.244131
  O       0.238701     -1.138246     -0.684091
  C      -0.783046      0.957157     -0.931110
  O      -1.419287      1.228898     -1.900068
  F       0.045322      1.883718     -0.341361
  C      -2.560026      0.209933      1.263446
  C      -3.381549     -0.128383      2.308379
  C      -3.302231     -1.392629      2.964818
  C      -4.139097     -1.571057      4.081959
  O      -4.146799     -2.618730      4.850603
  C      -6.327152     -4.091328      3.767381
  C      -6.966716     -4.318644      4.991970
  C      -8.127832     -3.611419      5.335208
  C      -8.847287     -3.858613      6.598692
  O      -9.943246     -3.394062      6.880440
  C      -8.137166     -4.674314      7.693127
  O      -7.047148     -4.473267      8.136605
  F      -8.959659     -5.617191      8.223875
  C      -8.665661     -2.660671      4.441308
  C      -8.018368     -2.401914      3.248100
  C      -6.841259     -3.092868      2.900009
  C      -6.114549     -2.706942      1.671881
  O      -6.527338     -1.886769      0.861466
  C      -3.475169     -5.581381      7.136465
  C      -4.336078     -6.375976      7.912220
  C      -4.516995     -6.138221      9.277663
  C      -5.428566     -6.931498     10.123793
  O      -5.565796     -6.731487     11.329864
  C      -6.270044     -8.042882      9.481139
  O      -6.639755     -8.162699      8.347058
  F      -6.648614     -8.951844     10.422124
  C      -3.796176     -5.087375      9.908246
  C      -2.942138     -4.304557      9.166780
  C      -2.768153     -4.510155      7.774945
  C      -1.889428     -3.655797      7.046929
  O      -1.840183     -3.560677      5.791676
  H      -0.707819     -2.636559      1.066597
  H      -2.657545      1.183638      0.780422
  H      -4.127235      0.581998      2.670276
  H      -4.809305     -0.757655      4.383655
  H      -6.541477     -5.064791      5.665443
  H      -9.576227     -2.131171      4.722234
  H      -8.385695     -1.639034      2.559441
  H      -5.125224     -3.199550      1.528149
  H      -4.890911     -7.174410      7.423686
  H      -3.945014     -4.917249     10.973556
  H      -2.392017     -3.488172      9.640838
  H      -1.212832     -3.008815      7.636765
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910353700256
  N      -2.303595     -3.668261      2.964742
  C      -1.365758     -4.590071      2.312835
  C      -1.540568     -6.000268      2.862437
  N      -2.963305     -6.216395      3.202573
  C      -3.843516     -6.195276      1.997009
  C      -5.254979     -5.833373      2.422808
  N      -5.149952     -4.803240      3.456157
  Mo     -3.470869     -4.415913      4.427420
  N      -3.246606     -5.872549      5.784297
  C      -2.805954     -7.218381      5.432236
  C      -3.181141     -7.463620      3.986147
  H      -3.275813     -7.981781      6.071837
  H      -1.714392     -7.302987      5.591845
  H      -4.250828     -7.701296      3.925481
  H      -2.614013     -8.298771      3.543015
  H      -5.822068     -5.481906      1.543915
  H      -5.805483     -6.707072      2.820947
  H      -3.461819     -5.424188      1.318572
  H      -3.801861     -7.166738      1.477691
  H      -0.323972     -4.271615      2.483896
  H      -1.530365     -4.579814      1.222345
  H      -0.959861     -6.135868      3.784346
  H      -1.195584     -6.744045      2.122236
  C      -2.342392     -2.381413      2.474236
  C      -1.483967     -1.979247      1.433296
  C      -1.573056     -0.721781      0.830220
  C      -0.647521     -0.410570     -0.254425
  O       0.221408     -1.154667     -0.712003
  C      -0.762708      0.961142     -0.924966
  O      -1.466253      1.273992     -1.833632
  F       0.171547      1.831155     -0.415912
  C      -2.539846      0.216107      1.272734
  C      -3.358650     -0.120211      2.320705
  C      -3.286397     -1.388713      2.969687
  C      -4.123974     -1.568181      4.086004
  O      -4.134274     -2.618861      4.851842
  C      -6.326930     -4.093603      3.783332
  C      -6.974978     -4.342919      4.999461
  C      -8.136820     -3.639933      5.349415
  C      -8.871215     -3.912842      6.598934
  O      -9.964041     -3.440733      6.880966
  C      -8.187780     -4.770825      7.678349
  O      -7.099717     -4.602897      8.139510
  F      -9.035752     -5.711103      8.172265
  C      -8.663510     -2.667988      4.471806
  C      -8.009014     -2.390694      3.286741
  C      -6.834669     -3.081404      2.929831
  C      -6.111214     -2.686579      1.701736
  O      -6.523748     -1.854152      0.903945
  C      -3.457368     -5.569888      7.127957
  C      -4.314806     -6.367751      7.905723
  C      -4.512380     -6.116595      9.266109
  C      -5.427606     -6.904413     10.115481
  O      -5.560922     -6.695028     11.320580
  C      -6.276902     -8.014627      9.480042
  O      -6.580083     -8.188114      8.332711
  F      -6.752561     -8.851559     10.442846
  C      -3.809029     -5.050788      9.891873
  C      -2.955956     -4.266831      9.150492
  C      -2.766533     -4.484778      7.762771
  C      -1.883104     -3.632747      7.037068
  O      -1.814055     -3.549076      5.783124
  H      -0.716316     -2.645773      1.044755
  H      -2.630844      1.192825      0.794569
  H      -4.097504      0.593839      2.689224
  H      -4.792289     -0.754320      4.390353
  H      -6.556258     -5.103789      5.660562
  H      -9.573285     -2.139668      4.757402
  H      -8.371406     -1.615279      2.609463
  H      -5.128822     -3.188095      1.541619
  H      -4.857825     -7.177114      7.422363
  H      -3.970523     -4.870730     10.953645
  H      -2.418980     -3.439747      9.621135
  H      -1.215759     -2.980493      7.632672
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910426464926
  N      -2.307085     -3.667381      2.964149
  C      -1.368266     -4.588326      2.313662
  C      -1.542683     -5.998439      2.863911
  N      -2.966197     -6.216761      3.201352
  C      -3.844248     -6.196602      1.994160
  C      -5.256279     -5.835275      2.418360
  N      -5.153217     -4.807169      3.453960
  Mo     -3.475047     -4.417983      4.427354
  N      -3.251050     -5.873889      5.784741
  C      -2.809814     -7.219283      5.430805
  C      -3.184231     -7.464127      3.984183
  H      -3.279393     -7.982596      6.070787
  H      -1.718196     -7.303817      5.589703
  H      -4.254049     -7.701158      3.922666
  H      -2.616944     -8.298609      3.540191
  H      -5.822710     -5.483028      1.539671
  H      -5.805699     -6.710803      2.814314
  H      -3.462539     -5.425227      1.315958
  H      -3.800545     -7.168140      1.475386
  H      -0.326654     -4.268777      2.482848
  H      -1.532735     -4.578393      1.222788
  H      -0.964208     -6.131358      3.787593
  H      -1.193985     -6.742777      2.126099
  C      -2.344256     -2.379236      2.476707
  C      -1.480972     -1.973688      1.440433
  C      -1.570153     -0.715653      0.838514
  C      -0.640136     -0.403324     -0.242462
  O       0.229263     -1.148134     -0.697741
  C      -0.754378      0.967660     -0.914653
  O      -1.465915      1.283419     -1.816180
  F       0.189038      1.833594     -0.416233
  C      -2.541149      0.219699      1.277415
  C      -3.363262     -0.119400      2.321600
  C      -3.291068     -1.388321      2.969912
  C      -4.130633     -1.570084      4.084219
  O      -4.140180     -2.620948      4.848849
  C      -6.330318     -4.097475      3.779949
  C      -6.975558     -4.338880      4.999571
  C      -8.137496     -3.634477      5.346372
  C      -8.865087     -3.896557      6.601923
  O      -9.955114     -3.419032      6.887375
  C      -8.178930     -4.748453      7.682611
  O      -7.092003     -4.574788      8.144478
  F      -9.022537     -5.691739      8.178088
  C      -8.668682     -2.670884      4.461602
  C      -8.018186     -2.402828      3.272735
  C      -6.842413     -3.093377      2.919616
  C      -6.120801     -2.706940      1.687757
  O      -6.539734     -1.889922      0.877349
  C      -3.457628     -5.572855      7.129482
  C      -4.314136     -6.369773      7.909059
  C      -4.505046     -6.120513      9.270681
  C      -5.420345     -6.908475     10.120250
  O      -5.549394     -6.704965     11.326321
  C      -6.278241     -8.010581      9.482467
  O      -6.593059     -8.170109      8.336587
  F      -6.744042     -8.857894     10.440730
  C      -3.797052     -5.058281      9.896201
  C      -2.945671     -4.274450      9.152650
  C      -2.762656     -4.490117      7.763889
  C      -1.882526     -3.635571      7.035529
  O      -1.819814     -3.551730      5.781270
  H      -0.709940     -2.637990      1.055133
  H      -2.632113      1.196427      0.799615
  H      -4.104740      0.592929      2.688237
  H      -4.801181     -0.757349      4.386852
  H      -6.554451     -5.093864      5.665762
  H      -9.578901     -2.142120      4.744891
  H      -8.384399     -1.634911      2.588944
  H      -5.132989     -3.200092      1.537232
  H      -4.859598     -7.178101      7.426702
  H      -3.954415     -4.879942     10.958902
  H      -2.404399     -3.449829      9.622703
  H      -1.215719     -2.981050      7.628864
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910544990062
  N      -2.312523     -3.666591      2.962830
  C      -1.372744     -4.585529      2.313712
  C      -1.546913     -5.995365      2.864958
  N      -2.971585     -6.216489      3.199334
  C      -3.847699     -6.198344      1.990727
  C      -5.260023     -5.837545      2.415409
  N      -5.156991     -4.816274      3.457433
  Mo     -3.480279     -4.419925      4.428781
  N      -3.246653     -5.872770      5.785524
  C      -2.810866     -7.219343      5.428122
  C      -3.189765     -7.463234      3.982150
  H      -3.281011     -7.979446      6.071408
  H      -1.718998     -7.307660      5.582172
  H      -4.260540     -7.696591      3.923095
  H      -2.625652     -8.297747      3.534443
  H      -5.826805     -5.478922      1.539991
  H      -5.808379     -6.716687      2.805185
  H      -3.467049     -5.426745      1.311921
  H      -3.800936     -7.170418      1.473731
  H      -0.331397     -4.263723      2.478685
  H      -1.537645     -4.575499      1.222190
  H      -0.971889     -6.124389      3.791349
  H      -1.193222     -6.741150      2.131183
  C      -2.349685     -2.376830      2.477987
  C      -1.478593     -1.966599      1.449363
  C      -1.570946     -0.709875      0.844787
  C      -0.628036     -0.394958     -0.224672
  O       0.246863     -1.139630     -0.669615
  C      -0.742089      0.971321     -0.905423
  O      -1.511609      1.305363     -1.751664
  F       0.270006      1.804144     -0.497309
  C      -2.552429      0.219654      1.273868
  C      -3.378974     -0.123075      2.312731
  C      -3.303212     -1.390087      2.964620
  C      -4.143561     -1.574087      4.077727
  O      -4.145627     -2.623491      4.843478
  C      -6.331992     -4.103116      3.783844
  C      -6.980865     -4.343790      5.001778
  C      -8.138780     -3.632103      5.346846
  C      -8.865635     -3.891727      6.602640
  O      -9.946127     -3.396967      6.898339
  C      -8.194353     -4.766415      7.670369
  O      -7.116918     -4.598931      8.156579
  F      -9.039504     -5.727931      8.127242
  C      -8.662877     -2.663150      4.462394
  C      -8.010263     -2.398288      3.274823
  C      -6.837518     -3.095655      2.923118
  C      -6.113212     -2.717567      1.690388
  O      -6.528379     -1.905210      0.872970
  C      -3.451731     -5.572163      7.130547
  C      -4.306529     -6.368672      7.912277
  C      -4.492280     -6.120002      9.274529
  C      -5.410042     -6.906249     10.124469
  O      -5.532377     -6.707529     11.331351
  C      -6.280346     -7.998426      9.485947
  O      -6.582798     -8.163982      8.337731
  F      -6.770607     -8.829728     10.445229
  C      -3.780759     -5.060694      9.899630
  C      -2.932519     -4.276172      9.153354
  C      -2.755757     -4.489322      7.763688
  C      -1.879634     -3.629866      7.033726
  O      -1.820604     -3.547528      5.779435
  H      -0.698790     -2.625989      1.073749
  H      -2.647399      1.193609      0.792007
  H      -4.126844      0.585476      2.673800
  H      -4.818711     -0.764149      4.377522
  H      -6.565829     -5.102131      5.667820
  H      -9.570487     -2.129595      4.745058
  H      -8.371993     -1.629377      2.589697
  H      -5.126659     -3.213475      1.545849
  H      -4.852387     -7.178027      7.432503
  H      -3.934969     -4.883514     10.963009
  H      -2.387577     -3.453418      9.622512
  H      -1.217383     -2.970581      7.626424
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910670919930
  N      -2.320982     -3.665176      2.955509
  C      -1.382464     -4.583903      2.306410
  C      -1.555987     -5.993267      2.859850
  N      -2.981402     -6.218044      3.192625
  C      -3.856444     -6.204596      1.983311
  C      -5.269170     -5.845005      2.408442
  N      -5.167513     -4.824537      3.451619
  Mo     -3.490576     -4.422825      4.420873
  N      -3.249880     -5.869205      5.783282
  C      -2.816816     -7.216582      5.424021
  C      -3.198604     -7.462496      3.978891
  H      -3.286825     -7.973900      6.070776
  H      -1.724649     -7.306837      5.574412
  H      -4.269880     -7.693987      3.921745
  H      -2.636196     -8.297822      3.530605
  H      -5.838136     -5.486495      1.534828
  H      -5.814572     -6.726582      2.797160
  H      -3.477585     -5.433544      1.302683
  H      -3.806146     -7.178196      1.469878
  H      -0.340587     -4.261699      2.466635
  H      -1.548204     -4.574225      1.214396
  H      -0.983841     -6.118198      3.788663
  H      -1.197757     -6.740863      2.130198
  C      -2.351365     -2.371567      2.480141
  C      -1.474588     -1.958199      1.457219
  C      -1.559588     -0.697721      0.858935
  C      -0.603447     -0.383262     -0.199249
  O       0.268120     -1.134665     -0.640089
  C      -0.697626      0.986907     -0.874144
  O      -1.530103      1.371725     -1.635972
  F       0.406701      1.747488     -0.588261
  C      -2.540071      0.232997      1.290347
  C      -3.371435     -0.114148      2.323356
  C      -3.303090     -1.384992      2.969083
  C      -4.148088     -1.572816      4.077960
  O      -4.155934     -2.627354      4.835952
  C      -6.343468     -4.114387      3.780432
  C      -6.987927     -4.352435      5.001394
  C      -8.148053     -3.643635      5.345163
  C      -8.868279     -3.900134      6.604894
  O      -9.941531     -3.394820      6.911510
  C      -8.202717     -4.787000      7.663054
  O      -7.131529     -4.621718      8.164216
  F      -9.046094     -5.760420      8.098164
  C      -8.679882     -2.681816      4.456626
  C      -8.033582     -2.421345      3.265315
  C      -6.857319     -3.114258      2.914952
  C      -6.137581     -2.739937      1.678942
  O      -6.564294     -1.946842      0.848329
  C      -3.446775     -5.567077      7.128963
  C      -4.297034     -6.361683      7.917552
  C      -4.473473     -6.110388      9.280427
  C      -5.389218     -6.894662     10.136084
  O      -5.492723     -6.705414     11.345460
  C      -6.281747     -7.971184      9.499681
  O      -6.579851     -8.138730      8.350802
  F      -6.793020     -8.786501     10.460736
  C      -3.757045     -5.052108      9.900120
  C      -2.914761     -4.268364      9.146009
  C      -2.748013     -4.483420      7.755771
  C      -1.876680     -3.621521      7.020435
  O      -1.821024     -3.543863      5.766448
  H      -0.695153     -2.618450      1.082585
  H      -2.631938      1.208567      0.812356
  H      -4.118303      0.594822      2.685940
  H      -4.821912     -0.762324      4.379243
  H      -6.569008     -5.106198      5.669988
  H      -9.589302     -2.151347      4.739320
  H      -8.401804     -1.659360      2.575899
  H      -5.141744     -3.219546      1.545587
  H      -4.844787     -7.172973      7.443589
  H      -3.903897     -4.873769     10.964370
  H      -2.365343     -3.445665      9.610119
  H      -1.217350     -2.957389      7.610838
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910789094867
  N      -2.324491     -3.664059      2.953234
  C      -1.387289     -4.583031      2.303532
  C      -1.559767     -5.991555      2.858892
  N      -2.985374     -6.217328      3.191302
  C      -3.860225     -6.206024      1.981945
  C      -5.273228     -5.845638      2.407174
  N      -5.170814     -4.827712      3.452442
  Mo     -3.493883     -4.423453      4.419381
  N      -3.246640     -5.865415      5.783369
  C      -2.816915     -7.214004      5.423983
  C      -3.202366     -7.460393      3.980136
  H      -3.287736     -7.969276      6.072465
  H      -1.724713     -7.306629      5.572372
  H      -4.274117     -7.690060      3.925570
  H      -2.642318     -8.297187      3.531523
  H      -5.842299     -5.483203      1.535155
  H      -5.820159     -6.727539      2.792809
  H      -3.480864     -5.436505      1.299894
  H      -3.809204     -7.181064      1.471423
  H      -0.344710     -4.261540      2.461691
  H      -1.553277     -4.574328      1.211489
  H      -0.988942     -6.114800      3.788794
  H      -1.200302     -6.740504      2.131239
  C      -2.355240     -2.369980      2.479137
  C      -1.478219     -1.956290      1.457113
  C      -1.560406     -0.695187      0.859172
  C      -0.593252     -0.382391     -0.189664
  O       0.276171     -1.140423     -0.624366
  C      -0.678503      0.985834     -0.869254
  O      -1.569389      1.417793     -1.534790
  F       0.496108      1.674957     -0.727692
  C      -2.541188      0.235899      1.291694
  C      -3.373528     -0.112905      2.323354
  C      -3.306635     -1.383984      2.968605
  C      -4.151185     -1.572273      4.077846
  O      -4.157153     -2.628025      4.834466
  C      -6.345587     -4.116426      3.782638
  C      -6.994695     -4.363036      4.998910
  C      -8.153344     -3.653090      5.344933
  C      -8.878661     -3.921244      6.598807
  O      -9.945433     -3.407931      6.914846
  C      -8.228838     -4.837059      7.641190
  O      -7.170209     -4.679375      8.170869
  F      -9.071743     -5.832348      8.026214
  C      -8.678002     -2.680216      4.464544
  C      -8.027248     -2.411391      3.277304
  C      -6.853166     -3.106749      2.923745
  C      -6.130014     -2.726737      1.691932
  O      -6.550036     -1.922492      0.868607
  C      -3.441478     -5.560882      7.128805
  C      -4.290617     -6.354447      7.919510
  C      -4.466425     -6.100666      9.282034
  C      -5.381332     -6.882927     10.140777
  O      -5.479879     -6.691511     11.350251
  C      -6.277063     -7.959952      9.508643
  O      -6.558463     -8.146904      8.358382
  F      -6.811923     -8.752158     10.475946
  C      -3.749809     -5.040785      9.899001
  C      -2.909131     -4.257940      9.142119
  C      -2.743520     -4.475488      7.752173
  C      -1.873069     -3.613618      7.015822
  O      -1.816246     -3.537192      5.762282
  H      -0.698470     -2.617111      1.084220
  H      -2.634105      1.210713      0.813837
  H      -4.120253      0.596143      2.686135
  H      -4.824353     -0.762067      4.381059
  H      -6.580636     -5.124075      5.662393
  H      -9.586188     -2.148989      4.749813
  H      -8.390175     -1.641886      2.593570
  H      -5.137872     -3.213157      1.555227
  H      -4.839155     -7.166383      7.447814
  H      -3.895127     -4.860740     10.963117
  H      -2.360043     -3.433716      9.603879
  H      -1.214528     -2.948835      7.606619
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910913780950
  N      -2.324559     -3.659855      2.954197
  C      -1.390796     -4.580212      2.301555
  C      -1.560892     -5.987960      2.858745
  N      -2.986522     -6.215267      3.190422
  C      -3.860466     -6.205428      1.980394
  C      -5.274266     -5.843394      2.402769
  N      -5.172996     -4.823104      3.445633
  Mo     -3.496335     -4.423270      4.416436
  N      -3.255832     -5.862068      5.783564
  C      -2.821060     -7.209793      5.426081
  C      -3.203511     -7.457085      3.982113
  H      -3.293151     -7.966674      6.071951
  H      -1.729238     -7.300392      5.578955
  H      -4.274790     -7.688320      3.926003
  H      -2.642045     -8.295302      3.537510
  H      -5.842453     -5.481238      1.529606
  H      -5.824432     -6.723210      2.788195
  H      -3.478169     -5.438489      1.297379
  H      -3.809559     -7.182491      1.473516
  H      -0.346670     -4.261400      2.458163
  H      -1.557098     -4.573569      1.209899
  H      -0.991023     -6.111422      3.789315
  H      -1.201014     -6.737478      2.131681
  C      -2.355248     -2.365284      2.482899
  C      -1.485840     -1.954335      1.454756
  C      -1.559926     -0.690518      0.860525
  C      -0.589520     -0.388546     -0.189228
  O       0.272113     -1.160624     -0.616378
  C      -0.664605      0.976231     -0.878585
  O      -1.600129      1.463006     -1.438328
  F       0.560566      1.582528     -0.898674
  C      -2.529359      0.247077      1.308399
  C      -3.357502     -0.102060      2.343715
  C      -3.298388     -1.376751      2.982199
  C      -4.142013     -1.565140      4.092391
  O      -4.158303     -2.627672      4.840148
  C      -6.349285     -4.115409      3.776885
  C      -6.999662     -4.371091      4.989866
  C      -8.162706     -3.668913      5.337410
  C      -8.892756     -3.952163      6.585109
  O      -9.962934     -3.448720      6.903138
  C      -8.242624     -4.876766      7.621437
  O      -7.196977     -4.707595      8.172866
  F      -9.070053     -5.898817      7.970725
  C      -8.689096     -2.692870      4.463306
  C      -8.035745     -2.412251      3.279291
  C      -6.858530     -3.100793      2.923559
  C      -6.132086     -2.705562      1.699266
  O      -6.549637     -1.889724      0.886377
  C      -3.442282     -5.555183      7.130267
  C      -4.292442     -6.345234      7.922871
  C      -4.465829     -6.089464      9.285722
  C      -5.377837     -6.869123     10.149084
  O      -5.472563     -6.673517     11.358551
  C      -6.272465     -7.950861      9.521882
  O      -6.553589     -8.145547      8.372760
  F      -6.808132     -8.736583     10.494494
  C      -3.745196     -5.029523      9.898981
  C      -2.903055     -4.250777      9.139107
  C      -2.739650     -4.472081      7.749274
  C      -1.867635     -3.614825      7.010869
  O      -1.812088     -3.536191      5.757788
  H      -0.716071     -2.622201      1.073531
  H      -2.620242      1.224179      0.837179
  H      -4.096061      0.611384      2.714663
  H      -4.806948     -0.751258      4.403663
  H      -6.584168     -5.134741      5.649717
  H      -9.600401     -2.167943      4.750469
  H      -8.398573     -1.637892      2.601193
  H      -5.138725     -3.190386      1.560177
  H      -4.846610     -7.153705      7.451681
  H      -3.886561     -4.847382     10.963220
  H      -2.352394     -3.426096      9.598089
  H      -1.202249     -2.955756      7.601012
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910966753186
  N      -2.319797     -3.657325      2.961418
  C      -1.386041     -4.578043      2.307741
  C      -1.554828     -5.986047      2.863912
  N      -2.980047     -6.212180      3.195239
  C      -3.853256     -6.200372      1.984513
  C      -5.267561     -5.836877      2.403243
  N      -5.167698     -4.814115      3.443679
  Mo     -3.492704     -4.420499      4.421084
  N      -3.262825     -5.862803      5.785824
  C      -2.821490     -7.208885      5.430528
  C      -3.198102     -7.455171      3.985181
  H      -3.294220     -7.969736      6.071409
  H      -1.730245     -7.295883      5.589773
  H      -4.268595     -7.689198      3.925400
  H      -2.633605     -8.293125      3.543728
  H      -5.832275     -5.476066      1.526834
  H      -5.821504     -6.713946      2.789287
  H      -3.467996     -5.434544      1.302222
  H      -3.804538     -7.177399      1.476994
  H      -0.341921     -4.259960      2.467180
  H      -1.551777     -4.572247      1.216581
  H      -0.983587     -6.112110      3.793242
  H      -1.197050     -6.734051      2.134136
  C      -2.354022     -2.364760      2.485614
  C      -1.491437     -1.956516      1.451393
  C      -1.566241     -0.693713      0.854708
  C      -0.603503     -0.398758     -0.204893
  O       0.259576     -1.173159     -0.624857
  C      -0.690380      0.959636     -0.907476
  O      -1.631252      1.436427     -1.467034
  F       0.529902      1.574803     -0.936900
  C      -2.530175      0.246314      1.308900
  C      -3.352691     -0.099828      2.350130
  C      -3.293740     -1.374355      2.988419
  C      -4.134510     -1.560736      4.100905
  O      -4.154308     -2.623998      4.848036
  C      -6.345041     -4.107308      3.772740
  C      -6.997951     -4.366704      4.983401
  C      -8.161755     -3.666439      5.332132
  C      -8.895242     -3.955085      6.576887
  O      -9.969636     -3.459837      6.890903
  C      -8.239865     -4.875331      7.616686
  O      -7.196901     -4.696209      8.169521
  F      -9.060731     -5.903543      7.963814
  C      -8.686047     -2.687247      4.461626
  C      -8.029204     -2.401530      3.279969
  C      -6.852397     -3.089152      2.923015
  C      -6.123824     -2.687248      1.701806
  O      -6.536184     -1.858905      0.899444
  C      -3.448214     -5.556994      7.133453
  C      -4.301574     -6.346649      7.922803
  C      -4.476879     -6.093524      9.286132
  C      -5.388422     -6.873464     10.148205
  O      -5.493127     -6.670983     11.356264
  C      -6.268943     -7.966717      9.521768
  O      -6.560295     -8.156200      8.374316
  F      -6.781337     -8.768907     10.494422
  C      -3.755125     -5.034709      9.901389
  C      -2.908516     -4.257367      9.145136
  C      -2.742382     -4.477457      7.755102
  C      -1.867279     -3.623938      7.018076
  O      -1.813691     -3.539508      5.764954
  H      -0.726583     -2.627104      1.065039
  H      -2.620840      1.224244      0.839340
  H      -4.087097      0.616059      2.724502
  H      -4.795869     -0.745217      4.415520
  H      -6.582650     -5.132139      5.641624
  H      -9.597687     -2.163134      4.749201
  H      -8.389792     -1.623151      2.605337
  H      -5.134870     -3.179584      1.554836
  H      -4.858299     -7.151205      7.447671
  H      -3.897606     -4.853465     10.965609
  H      -2.358004     -3.433994      9.606505
  H      -1.194588     -2.972019      7.608161
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911005757077
  N      -2.317567     -3.655032      2.966538
  C      -1.383083     -4.575516      2.312604
  C      -1.551589     -5.983910      2.867524
  N      -2.976425     -6.208211      3.199294
  C      -3.849569     -6.195071      1.988300
  C      -5.263563     -5.829928      2.405210
  N      -5.163374     -4.808790      3.446945
  Mo     -3.490631     -4.415847      4.426340
  N      -3.259378     -5.859971      5.787649
  C      -2.818963     -7.206568      5.433078
  C      -3.195395     -7.452043      3.987278
  H      -3.291858     -7.968417      6.072641
  H      -1.727961     -7.293629      5.593248
  H      -4.265979     -7.686063      3.927489
  H      -2.631114     -8.289958      3.545627
  H      -5.824691     -5.466976      1.527298
  H      -5.820183     -6.706092      2.789581
  H      -3.463179     -5.429825      1.306117
  H      -3.803288     -7.171453      1.479239
  H      -0.339591     -4.256478      2.472989
  H      -1.550014     -4.569441      1.221844
  H      -0.978386     -6.110625      3.795420
  H      -1.195443     -6.730732      2.135814
  C      -2.352550     -2.363515      2.487464
  C      -1.491263     -1.956315      1.451495
  C      -1.569065     -0.695478      0.850592
  C      -0.608645     -0.407085     -0.214567
  O       0.254994     -1.184686     -0.626553
  C      -0.704957      0.944179     -0.930240
  O      -1.670993      1.446663     -1.420952
  F       0.527746      1.516175     -1.064618
  C      -2.532111      0.244764      1.304425
  C      -3.351688     -0.098363      2.349008
  C      -3.291580     -1.371641      2.989357
  C      -4.130541     -1.556797      4.102694
  O      -4.148358     -2.618732      4.851738
  C      -6.340931     -4.101581      3.776593
  C      -7.001647     -4.371458      4.981152
  C      -8.163431     -3.669577      5.332820
  C      -8.902205     -3.968312      6.571968
  O      -9.973201     -3.468118      6.889855
  C      -8.258247     -4.908399      7.601192
  O      -7.225620     -4.734952      8.174158
  F      -9.079183     -5.948749      7.909859
  C      -8.677827     -2.677116      4.471434
  C      -8.014305     -2.383445      3.295478
  C      -6.840805     -3.074319      2.935024
  C      -6.111038     -2.669992      1.714197
  O      -6.517501     -1.830648      0.920600
  C      -3.447769     -5.555225      7.135233
  C      -4.302933     -6.345497      7.922297
  C      -4.481338     -6.093195      9.285238
  C      -5.395748     -6.871673     10.145510
  O      -5.508507     -6.663342     11.351926
  C      -6.268036     -7.971425      9.520139
  O      -6.545969     -8.173079      8.371481
  F      -6.789923     -8.765168     10.494949
  C      -3.761072     -5.034268      9.902428
  C      -2.911467     -4.257145      9.149697
  C      -2.741833     -4.476304      7.759887
  C      -1.864772     -3.623533      7.024394
  O      -1.810829     -3.536731      5.771442
  H      -0.726318     -2.626348      1.064670
  H      -2.622554      1.222129      0.833561
  H      -4.085236      0.618550      2.722951
  H      -4.792347     -0.741687      4.417417
  H      -6.592066     -5.145215      5.633453
  H      -9.587466     -2.150484      4.760614
  H      -8.368976     -1.597178      2.626776
  H      -5.130048     -3.174207      1.556462
  H      -4.858290     -7.150057      7.445611
  H      -3.907101     -4.852897     10.966140
  H      -2.361726     -3.434570      9.613334
  H      -1.190390     -2.974267      7.615554
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911031200073
  N      -2.319055     -3.653338      2.966738
  C      -1.383301     -4.573014      2.313324
  C      -1.550772     -5.981950      2.868105
  N      -2.975617     -6.208624      3.198727
  C      -3.848066     -6.197014      1.987081
  C      -5.262487     -5.832993      2.402555
  N      -5.164639     -4.808033      3.440949
  Mo     -3.493360     -4.415834      4.424784
  N      -3.268814     -5.861350      5.786729
  C      -2.821809     -7.205981      5.432873
  C      -3.193306     -7.452946      3.985791
  H      -3.293096     -7.969878      6.071349
  H      -1.730768     -7.288669      5.595452
  H      -4.263147     -7.689804      3.923091
  H      -2.625564     -8.289172      3.545473
  H      -5.823542     -5.475106      1.522627
  H      -5.816864     -6.709288      2.790192
  H      -3.462692     -5.431529      1.304488
  H      -3.800657     -7.173333      1.478024
  H      -0.340365     -4.252153      2.472551
  H      -1.551311     -4.567228      1.222544
  H      -0.977962     -6.107435      3.796435
  H      -1.192322     -6.727921      2.136656
  C      -2.351941     -2.360839      2.490457
  C      -1.490215     -1.952285      1.454880
  C      -1.566570     -0.689934      0.856765
  C      -0.606758     -0.403915     -0.210893
  O       0.258422     -1.181991     -0.617854
  C      -0.703662      0.946927     -0.928151
  O      -1.669857      1.451141     -1.416819
  F       0.529678      1.517050     -1.065545
  C      -2.526854      0.251126      1.314273
  C      -3.346090     -0.092802      2.358681
  C      -3.289225     -1.368399      2.995094
  C      -4.129550     -1.555014      4.106879
  O      -4.153630     -2.619165      4.851968
  C      -6.344548     -4.104383      3.770169
  C      -7.000825     -4.367941      4.979166
  C      -8.164366     -3.667890      5.328909
  C      -8.896032     -3.957363      6.574709
  O      -9.969754     -3.460900      6.889553
  C      -8.240500     -4.878909      7.613029
  O      -7.203913     -4.693498      8.174748
  F      -9.056636     -5.915734      7.944765
  C      -8.686586     -2.685331      4.460380
  C      -8.028054     -2.398598      3.280317
  C      -6.851783     -3.086009      2.922724
  C      -6.125697     -2.686159      1.697762
  O      -6.541018     -1.860113      0.894897
  C      -3.453353     -5.558038      7.135473
  C      -4.309052     -6.346779      7.923292
  C      -4.481906     -6.096770      9.287434
  C      -5.396220     -6.875108     10.148089
  O      -5.507608     -6.669803     11.354914
  C      -6.272412     -7.970612      9.521044
  O      -6.569334     -8.153849      8.374302
  F      -6.772721     -8.783209     10.491642
  C      -3.756133     -5.042141      9.904737
  C      -2.905929     -4.266253      9.151286
  C      -2.741533     -4.483143      7.760556
  C      -1.865717     -3.630188      7.022933
  O      -1.817687     -3.541787      5.769635
  H      -0.726457     -2.622287      1.065674
  H      -2.614098      1.230721      0.847622
  H      -4.077009      0.625339      2.735527
  H      -4.789322     -0.738587      4.422896
  H      -6.586305     -5.134989      5.636205
  H      -9.597553     -2.160011      4.747801
  H      -8.388399     -1.619368      2.606298
  H      -5.138659     -3.180043      1.546081
  H      -4.867046     -7.149402      7.446286
  H      -3.898820     -4.862225     10.969245
  H      -2.351407     -3.447014      9.615222
  H      -1.188726     -2.981825      7.611805
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911042073431
  N      -2.317789     -3.652326      2.968831
  C      -1.379962     -4.570920      2.316914
  C      -1.548110     -5.980317      2.870965
  N      -2.973265     -6.207988      3.200015
  C      -3.844987     -6.195601      1.987930
  C      -5.259616     -5.832192      2.403539
  N      -5.162297     -4.806521      3.441252
  Mo     -3.491689     -4.415457      4.426959
  N      -3.270967     -5.863177      5.787241
  C      -2.821790     -7.206896      5.433150
  C      -3.190976     -7.453328      3.985313
  H      -3.292892     -7.971038      6.071462
  H      -1.730689     -7.288430      5.596329
  H      -4.260618     -7.690613      3.920978
  H      -2.622060     -8.288283      3.544209
  H      -5.820928     -5.475375      1.523384
  H      -5.812707     -6.708989      2.791948
  H      -3.460142     -5.429128      1.305973
  H      -3.796781     -7.171329      1.477902
  H      -0.337661     -4.248693      2.476661
  H      -1.547351     -4.564631      1.225845
  H      -0.976668     -6.105766      3.800185
  H      -1.187906     -6.725781      2.139895
  C      -2.352065     -2.359972      2.492089
  C      -1.490746     -1.950668      1.456270
  C      -1.570213     -0.689144      0.856664
  C      -0.611155     -0.403840     -0.212518
  O       0.256055     -1.180973     -0.616374
  C      -0.714094      0.943712     -0.935699
  O      -1.682679      1.443990     -1.423590
  F       0.517656      1.516474     -1.078440
  C      -2.532126      0.250609      1.313506
  C      -3.350170     -0.093701      2.358603
  C      -3.290992     -1.368771      2.996094
  C      -4.130192     -1.555582      4.108782
  O      -4.153079     -2.618993      4.854684
  C      -6.342414     -4.102931      3.769849
  C      -6.998500     -4.364345      4.979502
  C      -8.161579     -3.663040      5.327893
  C      -8.892417     -3.949827      6.574920
  O      -9.967242     -3.454119      6.887657
  C      -8.234962     -4.866245      7.616079
  O      -7.197338     -4.678402      8.175072
  F      -9.050601     -5.901223      7.954203
  C      -8.683842     -2.681798      4.457410
  C      -8.025592     -2.397419      3.276850
  C      -6.849389     -3.085917      2.920650
  C      -6.123318     -2.689225      1.694529
  O      -6.539163     -1.866037      0.888922
  C      -3.456445     -5.560564      7.136164
  C      -4.314235     -6.348086      7.922509
  C      -4.485856     -6.100108      9.287222
  C      -5.402195     -6.878004     10.146159
  O      -5.517591     -6.671576     11.352387
  C      -6.275710     -7.974643      9.517933
  O      -6.579746     -8.151140      8.372022
  F      -6.764343     -8.797196     10.486100
  C      -3.757001     -5.048916      9.906309
  C      -2.904849     -4.273921      9.154077
  C      -2.741666     -4.488561      7.762893
  C      -1.865139     -3.635450      7.025963
  O      -1.819302     -3.545740      5.772337
  H      -0.724995     -2.618845      1.067861
  H      -2.621286      1.229502      0.846037
  H      -4.081816      0.623752      2.735403
  H      -4.790226     -0.739196      4.424515
  H      -6.584459     -5.130661      5.637635
  H      -9.594572     -2.155510      4.743825
  H      -8.385871     -1.619376      2.601389
  H      -5.135602     -3.181946      1.544793
  H      -4.873588     -7.148965      7.444118
  H      -3.899284     -4.870471     10.971169
  H      -2.347415     -3.457491      9.619534
  H      -1.187689     -2.987615      7.614560
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911049833388
  N      -2.317065     -3.651811      2.969270
  C      -1.378121     -4.569630      2.317773
  C      -1.546480     -5.979244      2.871245
  N      -2.971453     -6.207334      3.200570
  C      -3.843766     -6.194205      1.989074
  C      -5.258424     -5.832169      2.406334
  N      -5.161044     -4.805490      3.443038
  Mo     -3.489908     -4.414684      4.428400
  N      -3.270721     -5.864585      5.787206
  C      -2.820171     -7.207526      5.432866
  C      -3.188450     -7.453549      3.984844
  H      -3.290779     -7.971546      6.071656
  H      -1.728888     -7.288284      5.595676
  H      -4.257905     -7.691386      3.919856
  H      -2.618674     -8.287293      3.542646
  H      -5.821204     -5.476785      1.526545
  H      -5.809628     -6.709466      2.796240
  H      -3.460326     -5.426425      1.307685
  H      -3.794882     -7.169268      1.477870
  H      -0.336258     -4.246430      2.477818
  H      -1.545550     -4.562725      1.226644
  H      -0.975183     -6.105122      3.800522
  H      -1.186113     -6.724350      2.139902
  C      -2.352118     -2.359537      2.491940
  C      -1.490245     -1.949664      1.456856
  C      -1.571354     -0.688722      0.856075
  C      -0.610852     -0.403033     -0.211900
  O       0.258991     -1.178788     -0.612484
  C      -0.716413      0.942806     -0.938286
  O      -1.686339      1.442613     -1.423884
  F       0.515274      1.514677     -1.086868
  C      -2.535421      0.249872      1.311097
  C      -3.353484     -0.094916      2.355940
  C      -3.292570     -1.369336      2.994671
  C      -4.131093     -1.555859      4.107943
  O      -4.152448     -2.618084      4.855530
  C      -6.341337     -4.102371      3.771699
  C      -6.996754     -4.362378      4.981966
  C      -8.159814     -3.660693      5.329439
  C      -8.890560     -3.945861      6.577014
  O      -9.966384     -3.451111      6.887986
  C      -8.232164     -4.858975      7.620287
  O      -7.192475     -4.671280      8.175675
  F      -9.048723     -5.890811      7.965035
  C      -8.682734     -2.680740      4.457699
  C      -8.025266     -2.397806      3.276429
  C      -6.848921     -3.086716      2.921029
  C      -6.123818     -2.692311      1.693721
  O      -6.540902     -1.871552      0.886207
  C      -3.457846     -5.561990      7.135901
  C      -4.317422     -6.348482      7.920980
  C      -4.488916     -6.101675      9.285949
  C      -5.408013     -6.878321     10.142928
  O      -5.528068     -6.669822     11.348404
  C      -6.278318     -7.976647      9.513812
  O      -6.586625     -8.149148      8.368369
  F      -6.759426     -8.805685     10.480184
  C      -3.758074     -5.052767      9.906438
  C      -2.904430     -4.278432      9.155161
  C      -2.741635     -4.491588      7.763709
  C      -1.865072     -3.638259      7.027278
  O      -1.820828     -3.548070      5.773282
  H      -0.722278     -2.616081      1.069834
  H      -2.626192      1.227948      0.842393
  H      -4.086239      0.621787      2.732034
  H      -4.791790     -0.739707      4.422899
  H      -6.582531     -5.127887      5.640855
  H      -9.593455     -2.154175      4.743616
  H      -8.386129     -1.620903      2.600007
  H      -5.135461     -3.183916      1.545003
  H      -4.877857     -7.147962      7.441446
  H      -3.900492     -4.875243     10.971446
  H      -2.345406     -3.463691      9.621695
  H      -1.187473     -2.990293      7.615281
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911055660704
  N      -2.315830     -3.652002      2.969009
  C      -1.376497     -4.569385      2.317260
  C      -1.544711     -5.979010      2.870499
  N      -2.969395     -6.207204      3.200825
  C      -3.842893     -6.192908      1.990318
  C      -5.257344     -5.832407      2.409828
  N      -5.159326     -4.804997      3.445754
  Mo     -3.486941     -4.414452      4.429389
  N      -3.268578     -5.866334      5.786830
  C      -2.817371     -7.208753      5.432372
  C      -3.185490     -7.454303      3.984343
  H      -3.287496     -7.972614      6.071685
  H      -1.725919     -7.289116      5.594629
  H      -4.254764     -7.692798      3.919075
  H      -2.615021     -8.287020      3.541167
  H      -5.822146     -5.478226      1.530846
  H      -5.806696     -6.710160      2.801273
  H      -3.460894     -5.423586      1.309859
  H      -3.793702     -7.167134      1.477525
  H      -0.334775     -4.245855      2.477586
  H      -1.544061     -4.562047      1.226182
  H      -0.972963     -6.105265      3.799468
  H      -1.184855     -6.724021      2.138789
  C      -2.352050     -2.359886      2.491176
  C      -1.490438     -1.949542      1.456232
  C      -1.572991     -0.688931      0.854834
  C      -0.611484     -0.401804     -0.211698
  O       0.259950     -1.176204     -0.611482
  C      -0.718410      0.943681     -0.938695
  O      -1.688777      1.443312     -1.423493
  F       0.513154      1.515834     -1.088552
  C      -2.538841      0.248529      1.308667
  C      -3.356657     -0.096951      2.353513
  C      -3.293694     -1.370705      2.993326
  C      -4.131403     -1.557002      4.107427
  O      -4.150789     -2.617971      4.856893
  C      -6.339578     -4.101915      3.774364
  C      -6.994298     -4.360717      4.985127
  C      -8.157672     -3.659142      5.331828
  C      -8.889407     -3.943561      6.579115
  O      -9.966364     -3.449971      6.887918
  C      -8.230442     -4.853547      7.624853
  O      -7.187443     -4.667571      8.174822
  F      -9.049960     -5.879484      7.979446
  C      -8.681127     -2.680429      4.459158
  C      -8.024176     -2.398341      3.277310
  C      -6.847695     -3.087428      2.922456
  C      -6.123142     -2.694321      1.694622
  O      -6.540895     -1.874904      0.886053
  C      -3.458028     -5.563288      7.135034
  C      -4.319542     -6.348825      7.918787
  C      -4.492413     -6.102122      9.283650
  C      -5.414308     -6.877285     10.138708
  O      -5.538607     -6.666693     11.343497
  C      -6.282213     -7.976752      9.508712
  O      -6.592735     -8.147004      8.363460
  F      -6.759297     -8.809450     10.473916
  C      -3.760903     -5.054325      9.905340
  C      -2.905603     -4.280692      9.155148
  C      -2.741583     -4.493552      7.763765
  C      -1.864671     -3.640493      7.027954
  O      -1.820642     -3.550664      5.773646
  H      -0.721120     -2.614693      1.069654
  H      -2.631394      1.225882      0.838824
  H      -4.090618      0.618777      2.729118
  H      -4.792888     -0.741176      4.421582
  H      -6.579603     -5.125287      5.644748
  H      -9.592007     -2.153950      4.744709
  H      -8.385519     -1.622274      2.600245
  H      -5.134335     -3.185376      1.546598
  H      -4.880544     -7.147348      7.438239
  H      -3.904350     -4.877075     10.970242
  H      -2.346341     -3.466589      9.622506
  H      -1.187329     -2.992064      7.615590
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911059522846
  N      -2.314901     -3.652235      2.968527
  C      -1.375988     -4.569426      2.315861
  C      -1.543572     -5.978993      2.869113
  N      -2.967929     -6.207205      3.200768
  C      -3.842705     -6.192122      1.991208
  C      -5.256821     -5.832878      2.412645
  N      -5.158118     -4.805166      3.448257
  Mo     -3.484487     -4.414342      4.429872
  N      -3.266131     -5.867482      5.786350
  C      -2.814687     -7.209628      5.431860
  C      -3.183075     -7.454874      3.983903
  H      -3.284431     -7.973608      6.071321
  H      -1.723160     -7.289796      5.593829
  H      -4.252151     -7.694188      3.918633
  H      -2.612010     -8.286940      3.540286
  H      -5.823404     -5.479459      1.534507
  H      -5.804899     -6.710964      2.805134
  H      -3.461844     -5.421660      1.311454
  H      -3.793523     -7.165728      1.477203
  H      -0.334163     -4.246017      2.476091
  H      -1.543905     -4.561895      1.224919
  H      -0.970907     -6.105415      3.797493
  H      -1.184580     -6.724054      2.137013
  C      -2.352079     -2.360186      2.490497
  C      -1.490867     -1.949510      1.455535
  C      -1.573906     -0.688904      0.854100
  C      -0.611702     -0.400708     -0.211294
  O       0.260304     -1.174630     -0.611016
  C      -0.717725      0.945398     -0.937247
  O      -1.688618      1.448377     -1.417596
  F       0.514935      1.513477     -1.092723
  C      -2.540533      0.247944      1.307691
  C      -3.358260     -0.098150      2.352494
  C      -3.294233     -1.371614      2.992644
  C      -4.131535     -1.557912      4.107172
  O      -4.149682     -2.618149      4.857811
  C      -6.338432     -4.102105      3.776675
  C      -6.992567     -4.360034      4.987837
  C      -8.156726     -3.659247      5.333864
  C      -8.889389     -3.943042      6.580824
  O      -9.967603     -3.451011      6.887513
  C      -8.229570     -4.849644      7.629165
  O      -7.183426     -4.664790      8.173638
  F      -9.051512     -5.870167      7.993367
  C      -8.681074     -2.682154      4.460177
  C      -8.024395     -2.400463      3.277956
  C      -6.847377     -3.088870      2.923729
  C      -6.122903     -2.695977      1.695916
  O      -6.541037     -1.877372      0.886735
  C      -3.457240     -5.564030      7.134128
  C      -4.319996     -6.349135      7.916988
  C      -4.494438     -6.102059      9.281589
  C      -5.418187     -6.876239     10.135255
  O      -5.544117     -6.665596     11.339931
  C      -6.286228     -7.974757      9.503884
  O      -6.597857     -8.142743      8.358584
  F      -6.762651     -8.809132     10.467981
  C      -3.763119     -5.054462      9.904066
  C      -2.906765     -4.281156      9.154722
  C      -2.741311     -4.494212      7.763499
  C      -1.864295     -3.641496      7.027920
  O      -1.820156     -3.552245      5.773407
  H      -0.721268     -2.614305      1.068851
  H      -2.633994      1.225004      0.837450
  H      -4.092969      0.616913      2.727900
  H      -4.793638     -0.742355      4.420718
  H      -6.576939     -5.123311      5.648330
  H      -9.592487     -2.156355      4.745278
  H      -8.386424     -1.625305      2.600245
  H      -5.133594     -3.186438      1.548636
  H      -4.881062     -7.147272      7.435817
  H      -3.907635     -4.877174     10.968799
  H      -2.348114     -3.466905      9.622533
  H      -1.187103     -2.992605      7.615179
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911062082215
  N      -2.314110     -3.652681      2.968150
  C      -1.375682     -4.569826      2.314843
  C      -1.542889     -5.979403      2.868039
  N      -2.967091     -6.207483      3.200614
  C      -3.842721     -6.191757      1.991629
  C      -5.256515     -5.833382      2.414373
  N      -5.157386     -4.805846      3.450263
  Mo     -3.482561     -4.414652      4.430094
  N      -3.264135     -5.868538      5.786019
  C      -2.813028     -7.210651      5.431358
  C      -3.181732     -7.455505      3.983406
  H      -3.282764     -7.974878      6.070556
  H      -1.721529     -7.291058      5.593359
  H      -4.250658     -7.695419      3.918118
  H      -2.610293     -8.287265      3.539671
  H      -5.824334     -5.480225      1.536955
  H      -5.803912     -6.711756      2.807208
  H      -3.462505     -5.420488      1.312469
  H      -3.793624     -7.164920      1.476758
  H      -0.333675     -4.246879      2.475249
  H      -1.543439     -4.562125      1.223943
  H      -0.969524     -6.106039      3.795946
  H      -1.184678     -6.724565      2.135655
  C      -2.352254     -2.360712      2.489860
  C      -1.491040     -1.949564      1.455179
  C      -1.574440     -0.688929      0.853863
  C      -0.611891     -0.399082     -0.210421
  O       0.260449     -1.172227     -0.611268
  C      -0.716615      0.948273     -0.933980
  O      -1.685904      1.450184     -1.418703
  F       0.515643      1.519311     -1.081261
  C      -2.542105      0.247140      1.306823
  C      -3.360202     -0.099586      2.351196
  C      -3.295224     -1.372779      2.991685
  C      -4.132529     -1.559275      4.106260
  O      -4.149380     -2.618811      4.857993
  C      -6.337723     -4.102504      3.777905
  C      -6.990755     -4.358400      4.990025
  C      -8.155770     -3.658418      5.335201
  C      -8.888410     -3.940050      6.582717
  O      -9.967533     -3.448943      6.887517
  C      -8.226858     -4.841849      7.634349
  O      -7.176770     -4.657740      8.171504
  F      -9.051644     -5.855232      8.011522
  C      -8.681785     -2.684226      4.459446
  C      -8.025836     -2.404032      3.276374
  C      -6.848043     -3.091477      2.923162
  C      -6.123582     -2.699177      1.695197
  O      -6.542329     -1.882244      0.884677
  C      -3.456355     -5.564947      7.133483
  C      -4.319472     -6.350318      7.915856
  C      -4.495067     -6.103044      9.280242
  C      -5.419084     -6.877562     10.133088
  O      -5.544016     -6.669275     11.338293
  C      -6.289539     -7.973140      9.499773
  O      -6.604019     -8.136570      8.354621
  F      -6.764800     -8.810250     10.462119
  C      -3.764493     -5.055148      9.903288
  C      -2.907986     -4.281494      9.154526
  C      -2.741441     -4.494604      7.763403
  C      -1.864550     -3.642044      7.027855
  O      -1.820284     -3.553365      5.773190
  H      -0.721085     -2.614158      1.068831
  H      -2.636128      1.224071      0.836333
  H      -4.095918      0.614741      2.726032
  H      -4.795649     -0.744185      4.418871
  H      -6.573674     -5.119508      5.652057
  H      -9.593910     -2.159254      4.743803
  H      -8.389051     -1.630665      2.597251
  H      -5.133436     -3.188514      1.549359
  H      -4.880040     -7.148612      7.434349
  H      -3.909705     -4.878009     10.967940
  H      -2.350311     -3.466739      9.622607
  H      -1.187562     -2.992604      7.614731
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911064203566
  N      -2.313308     -3.652479      2.968711
  C      -1.375157     -4.569457      2.315022
  C      -1.542117     -5.979240      2.867922
  N      -2.966351     -6.207443      3.200640
  C      -3.842086     -6.191324      1.991649
  C      -5.255708     -5.833262      2.414654
  N      -5.156621     -4.806309      3.451258
  Mo     -3.481272     -4.414897      4.430517
  N      -3.263140     -5.869121      5.786055
  C      -2.812341     -7.211269      5.431139
  C      -3.180873     -7.455670      3.982963
  H      -3.282422     -7.975971      6.069553
  H      -1.720978     -7.291979      5.593730
  H      -4.249665     -7.696077      3.917397
  H      -2.609067     -8.287313      3.539445
  H      -5.823807     -5.479814      1.537568
  H      -5.803142     -6.711839      2.807056
  H      -3.461864     -5.419743      1.312861
  H      -3.793059     -7.164279      1.476384
  H      -0.333018     -4.246869      2.475645
  H      -1.542527     -4.561574      1.224087
  H      -0.968484     -6.106034      3.795632
  H      -1.184116     -6.724313      2.135354
  C      -2.352402     -2.360491      2.490426
  C      -1.491534     -1.948841      1.455660
  C      -1.575290     -0.688141      0.854482
  C      -0.613039     -0.398212     -0.210034
  O       0.258757     -1.171950     -0.611214
  C      -0.717085      0.949307     -0.933257
  O      -1.687898      1.455278     -1.410933
  F       0.516223      1.514817     -1.090146
  C      -2.543146      0.247476      1.307971
  C      -3.361151     -0.099774      2.352259
  C      -3.295820     -1.373057      2.992504
  C      -4.133171     -1.560093      4.106937
  O      -4.149494     -2.619597      4.858781
  C      -6.337150     -4.102825      3.777968
  C      -6.989616     -4.357205      4.990733
  C      -8.155448     -3.658005      5.335069
  C      -8.887742     -3.937635      6.583249
  O      -9.967403     -3.446900      6.886706
  C      -8.224863     -4.835673      7.637401
  O      -7.172287     -4.651480      8.169591
  F      -9.051366     -5.844244      8.023428
  C      -8.682801     -2.686247      4.457420
  C      -8.027163     -2.407280      3.273884
  C      -6.848518     -3.093639      2.921790
  C      -6.123663     -2.701601      1.693878
  O      -6.542814     -1.886144      0.882134
  C      -3.455638     -5.565803      7.133473
  C      -4.318765     -6.351619      7.915587
  C      -4.494923     -6.104413      9.279863
  C      -5.418449     -6.879810     10.132367
  O      -5.540545     -6.675323     11.338460
  C      -6.293104     -7.970967      9.496838
  O      -6.610437     -8.129137      8.351808
  F      -6.768568     -8.810254     10.457245
  C      -3.764887     -5.056358      9.903352
  C      -2.908472     -4.282233      9.155042
  C      -2.741419     -4.495139      7.763932
  C      -1.864363     -3.642829      7.028321
  O      -1.820267     -3.554226      5.773594
  H      -0.721739     -2.613595      1.069275
  H      -2.637356      1.224552      0.837890
  H      -4.097195      0.614209      2.727114
  H      -4.796943     -0.745383      4.419182
  H      -6.571448     -5.116545      5.654076
  H      -9.595660     -2.162089      4.740929
  H      -8.391280     -1.635453      2.593459
  H      -5.132709     -3.189764      1.549504
  H      -4.878801     -7.150136      7.433847
  H      -3.910421     -4.879471     10.968002
  H      -2.351412     -3.467203      9.623363
  H      -1.187079     -2.993466      7.614945
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911065616084
  N      -2.313044     -3.652337      2.969307
  C      -1.374696     -4.569092      2.315831
  C      -1.541862     -5.979146      2.868256
  N      -2.966214     -6.207437      3.200658
  C      -3.841587     -6.191256      1.991372
  C      -5.255239     -5.833229      2.414132
  N      -5.156492     -4.806885      3.451446
  Mo     -3.481035     -4.415109      4.430881
  N      -3.262996     -5.869447      5.786293
  C      -2.812591     -7.211654      5.431005
  C      -3.180916     -7.455673      3.982635
  H      -3.283096     -7.976628      6.068791
  H      -1.721338     -7.292741      5.594014
  H      -4.249677     -7.696150      3.916886
  H      -2.609039     -8.287342      3.539228
  H      -5.823097     -5.479322      1.537106
  H      -5.802901     -6.711975      2.805853
  H      -3.461137     -5.419743      1.312604
  H      -3.792419     -7.164242      1.476204
  H      -0.332596     -4.246564      2.476873
  H      -1.541486     -4.560953      1.224780
  H      -0.968368     -6.106248      3.796008
  H      -1.183789     -6.724007      2.135523
  C      -2.352794     -2.360411      2.490732
  C      -1.491515     -1.948377      1.456404
  C      -1.575701     -0.687826      0.855003
  C      -0.613468     -0.397502     -0.209401
  O       0.258746     -1.170882     -0.610451
  C      -0.717527      0.950101     -0.932306
  O      -1.687670      1.454093     -1.413463
  F       0.515086      1.518365     -1.084217
  C      -2.544360      0.247223      1.307910
  C      -3.362759     -0.100265      2.351759
  C      -3.297072     -1.373453      2.992231
  C      -4.134673     -1.560809      4.106343
  O      -4.150433     -2.620131      4.858506
  C      -6.337105     -4.103249      3.777412
  C      -6.988884     -4.355869      4.990956
  C      -8.154994     -3.656791      5.334652
  C      -8.886178     -3.933763      6.584091
  O      -9.966227     -3.443219      6.886556
  C      -8.221482     -4.827794      7.640554
  O      -7.166508     -4.643182      8.167811
  F      -9.048881     -5.832324      8.034831
  C      -8.683585     -2.687214      4.455163
  C      -8.028511     -2.409855      3.271012
  C      -6.849275     -3.095646      2.919892
  C      -6.124210     -2.704274      1.691819
  O      -6.543797     -1.890318      0.878807
  C      -3.455490     -5.566670      7.133777
  C      -4.318069     -6.353220      7.915851
  C      -4.494176     -6.106492      9.280164
  C      -5.416650     -6.883308     10.132523
  O      -5.535701     -6.682750     11.339513
  C      -6.294860     -7.970619      9.495037
  O      -6.615588     -8.123321      8.350258
  F      -6.769201     -8.812951     10.453349
  C      -3.764582     -5.058366      9.903991
  C      -2.908808     -4.283427      9.155856
  C      -2.741953     -4.495689      7.764633
  C      -1.864955     -3.643222      7.029012
  O      -1.821359     -3.554331      5.774242
  H      -0.721124     -2.612952      1.070929
  H      -2.638654      1.224312      0.837835
  H      -4.099333      0.613438      2.726106
  H      -4.799264     -0.746555      4.418037
  H      -6.569975     -5.113805      5.655393
  H      -9.596826     -2.163363      4.737998
  H      -8.393382     -1.639469      2.589333
  H      -5.132533     -3.191280      1.548774
  H      -4.877541     -7.152032      7.433964
  H      -3.910019     -4.881965     10.968744
  H      -2.352081     -3.468277      9.624361
  H      -1.187375     -2.994026      7.615429
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911094298777
  N      -2.315308     -3.654427      2.963122
  C      -1.377512     -4.573292      2.311745
  C      -1.547392     -5.982619      2.865606
  N      -2.972296     -6.208862      3.197561
  C      -3.846926     -6.193188      1.987814
  C      -5.260330     -5.832065      2.409372
  N      -5.160587     -4.805464      3.446235
  Mo     -3.484868     -4.414485      4.425177
  N      -3.267427     -5.864995      5.783851
  C      -2.819410     -7.208786      5.430599
  C      -3.188883     -7.455058      3.982512
  H      -3.290834     -7.971650      6.070182
  H      -1.728150     -7.291272      5.592887
  H      -4.258223     -7.693340      3.917967
  H      -2.619058     -8.288753      3.540281
  H      -5.826894     -5.477577      1.531704
  H      -5.809445     -6.709810      2.801224
  H      -3.464908     -5.423687      1.307565
  H      -3.799093     -7.167176      1.474442
  H      -0.335165     -4.251680      2.472605
  H      -1.544103     -4.566175      1.220570
  H      -0.974812     -6.109324      3.793964
  H      -1.189530     -6.728581      2.133908
  C      -2.352510     -2.362255      2.483757
  C      -1.486238     -1.950012      1.453359
  C      -1.564572     -0.687467      0.855140
  C      -0.595890     -0.396303     -0.203481
  O       0.276341     -1.170592     -0.602311
  C      -0.693102      0.954476     -0.921700
  O      -1.659965      1.463872     -1.403683
  F       0.541629      1.520754     -1.064665
  C      -2.532570      0.248997      1.306448
  C      -3.355612     -0.098695      2.346391
  C      -3.295216     -1.373354      2.984466
  C      -4.132786     -1.558647      4.098802
  O      -4.150154     -2.617750      4.851050
  C      -6.341718     -4.105710      3.778213
  C      -6.991180     -4.367312      4.991135
  C      -8.158257     -3.673175      5.340716
  C      -8.886527     -3.961098      6.589353
  O      -9.967267     -3.475478      6.897436
  C      -8.218229     -4.862252      7.637334
  O      -7.166431     -4.675769      8.170214
  F      -9.038862     -5.878167      8.016379
  C      -8.690173     -2.698768      4.468388
  C      -8.037425     -2.412525      3.285128
  C      -6.857387     -3.093941      2.927722
  C      -6.135763     -2.693988      1.700329
  O      -6.558759     -1.875846      0.893269
  C      -3.458904     -5.557957      7.130889
  C      -4.321540     -6.341399      7.915818
  C      -4.497489     -6.089861      9.279249
  C      -5.418062     -6.865712     10.134895
  O      -5.537915     -6.659911     11.340900
  C      -6.288665     -7.962556      9.503413
  O      -6.604459     -8.126548      8.358784
  F      -6.759211     -8.801597     10.466419
  C      -3.768517     -5.038876      9.899027
  C      -2.912134     -4.266875      9.148245
  C      -2.745353     -4.484277      7.757721
  C      -1.859619     -3.641311      7.018826
  O      -1.817697     -3.556356      5.763667
  H      -0.715008     -2.614850      1.070099
  H      -2.621804      1.227892      0.839169
  H      -4.090398      0.616813      2.720853
  H      -4.794812     -0.742689      4.411526
  H      -6.570228     -5.129275      5.649703
  H      -9.604116     -2.178620      4.755749
  H      -8.404979     -1.638636      2.608879
  H      -5.143189     -3.177514      1.552278
  H      -4.880474     -7.142408      7.436969
  H      -3.913555     -4.859029     10.963271
  H      -2.353796     -3.451373      9.614237
  H      -1.177194     -2.994694      7.602732
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911056172552
  N      -2.328615     -3.661482      2.954375
  C      -1.391963     -4.581969      2.303346
  C      -1.563104     -5.990897      2.858618
  N      -2.987524     -6.216767      3.194081
  C      -3.864408     -6.203781      1.986647
  C      -5.276796     -5.838388      2.409451
  N      -5.173696     -4.810419      3.444195
  Mo     -3.496043     -4.420120      4.419241
  N      -3.271682     -5.863565      5.782405
  C      -2.825760     -7.208902      5.431164
  C      -3.202079     -7.459931      3.985085
  H      -3.294241     -7.968888      6.076188
  H      -1.733576     -7.290978      5.587408
  H      -4.272205     -7.696315      3.926442
  H      -2.635746     -8.295803      3.542548
  H      -5.842365     -5.483100      1.531286
  H      -5.827706     -6.714292      2.802762
  H      -3.482426     -5.437688      1.302476
  H      -3.819148     -7.179594      1.476513
  H      -0.349324     -4.260569      2.461999
  H      -1.560982     -4.575229      1.212385
  H      -0.989260     -6.116813      3.786274
  H      -1.206297     -6.737352      2.126919
  C      -2.363068     -2.367721      2.476564
  C      -1.488325     -1.951461      1.454478
  C      -1.556871     -0.683366      0.866283
  C      -0.574482     -0.385500     -0.178376
  O       0.299691     -1.158691     -0.574145
  C      -0.658140      0.974834     -0.880985
  O      -1.616688      1.493218     -1.369670
  F       0.583181      1.528865     -1.017957
  C      -2.524908      0.253354      1.317110
  C      -3.356307     -0.098888      2.348557
  C      -3.303368     -1.377574      2.979033
  C      -4.138148     -1.561845      4.095528
  O      -4.154858     -2.621573      4.846574
  C      -6.352108     -4.105561      3.774883
  C      -7.012009     -4.370375      4.981780
  C      -8.180348     -3.674728      5.323845
  C      -8.923112     -3.970669      6.562087
  O     -10.008429     -3.488579      6.859656
  C      -8.266119     -4.874619      7.614268
  O      -7.235286     -4.673565      8.181691
  F      -9.082461     -5.904413      7.964111
  C      -8.701222     -2.693300      4.452631
  C      -8.037589     -2.403116      3.276591
  C      -6.858049     -3.088605      2.924716
  C      -6.129593     -2.690219      1.700934
  O      -6.546449     -1.869511      0.893115
  C      -3.456115     -5.548004      7.129155
  C      -4.308224     -6.331766      7.924651
  C      -4.475714     -6.074034      9.287840
  C      -5.380111     -6.856276     10.155461
  O      -5.503348     -6.634274     11.358288
  C      -6.222514     -7.985525      9.543555
  O      -6.533259     -8.178496      8.401911
  F      -6.683548     -8.811080     10.522537
  C      -3.752095     -5.012212      9.895419
  C      -2.902924     -4.240867      9.134994
  C      -2.742962     -4.466726      7.744890
  C      -1.840507     -3.645236      6.995598
  O      -1.807454     -3.569684      5.739448
  H      -0.714993     -2.614765      1.072729
  H      -2.606197      1.236637      0.857775
  H      -4.088656      0.617866      2.725490
  H      -4.795795     -0.744198      4.413095
  H      -6.600619     -5.138933      5.638815
  H      -9.616004     -2.171625      4.734472
  H      -8.397291     -1.625059      2.600956
  H      -5.141355     -3.182267      1.552336
  H      -4.863909     -7.140295      7.454754
  H      -3.890632     -4.827605     10.959730
  H      -2.342372     -3.422705      9.593622
  H      -1.142281     -3.007314      7.570770
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911090109634
  N      -2.325421     -3.660037      2.956975
  C      -1.389400     -4.580115      2.304596
  C      -1.559945     -5.989193      2.859256
  N      -2.984228     -6.215000      3.194950
  C      -3.861416     -6.200732      1.987704
  C      -5.273779     -5.836516      2.410917
  N      -5.170744     -4.808981      3.446146
  Mo     -3.492946     -4.419175      4.420927
  N      -3.269763     -5.864377      5.782518
  C      -2.824003     -7.209429      5.430957
  C      -3.199145     -7.459035      3.984564
  H      -3.293106     -7.970029      6.074845
  H      -1.732036     -7.291886      5.588245
  H      -4.269102     -7.695831      3.924550
  H      -2.632053     -8.294384      3.542029
  H      -5.840025     -5.481153      1.533216
  H      -5.824335     -6.712818      2.803962
  H      -3.479563     -5.433271      1.305128
  H      -3.816063     -7.175702      1.475897
  H      -0.346541     -4.259584      2.464200
  H      -1.557813     -4.572359      1.213644
  H      -0.985593     -6.115585      3.786530
  H      -1.203705     -6.735517      2.127123
  C      -2.358633     -2.366122      2.481220
  C      -1.487755     -1.951912      1.455493
  C      -1.558717     -0.685305      0.864521
  C      -0.580915     -0.390032     -0.184905
  O       0.290821     -1.164859     -0.583143
  C      -0.667929      0.967454     -0.892645
  O      -1.631888      1.492755     -1.363177
  F       0.571059      1.526197     -1.029694
  C      -2.525464      0.252126      1.316856
  C      -3.353766     -0.098614      2.351601
  C      -3.298411     -1.375983      2.984352
  C      -4.134507     -1.560886      4.100087
  O      -4.152458     -2.621226      4.850449
  C      -6.349899     -4.105270      3.777035
  C      -7.008461     -4.370374      4.984446
  C      -8.176454     -3.674840      5.328254
  C      -8.918028     -3.971409      6.566969
  O     -10.002764     -3.489584      6.866602
  C      -8.260912     -4.878216      7.616868
  O      -7.218934     -4.690949      8.168429
  F      -9.067856     -5.920561      7.951584
  C      -8.698076     -2.693240      4.458105
  C      -8.035993     -2.403084      3.280968
  C      -6.857230     -3.088749      2.927233
  C      -6.131372     -2.691791      1.701499
  O      -6.547695     -1.868601      0.895950
  C      -3.455454     -5.549191      7.128696
  C      -4.310497     -6.331801      7.922564
  C      -4.480302     -6.073528      9.285392
  C      -5.390631     -6.850801     10.151001
  O      -5.519953     -6.623541     11.352264
  C      -6.241780     -7.972275      9.536787
  O      -6.545006     -8.167460      8.393490
  F      -6.704123     -8.799531     10.513760
  C      -3.754945     -5.013724      9.894506
  C      -2.902317     -4.244648      9.135939
  C      -2.740486     -4.470337      7.746234
  C      -1.840793     -3.646619      6.998179
  O      -1.805366     -3.571357      5.742260
  H      -0.717615     -2.617188      1.070471
  H      -2.609694      1.233796      0.854691
  H      -4.087100      0.617524      2.727739
  H      -4.793475     -0.743778      4.416263
  H      -6.595144     -5.137616      5.641874
  H      -9.612386     -2.171529      4.741432
  H      -8.396613     -1.625052      2.605801
  H      -5.143903     -3.185039      1.551174
  H      -4.868131     -7.138191      7.451352
  H      -3.896089     -4.827986     10.958261
  H      -2.342579     -3.426411      9.595365
  H      -1.141544     -3.010818      7.574070
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911037044841
  N      -2.312292     -3.652299      2.962895
  C      -1.375016     -4.571265      2.311301
  C      -1.546410     -5.980956      2.863752
  N      -2.971718     -6.206218      3.194285
  C      -3.844870     -6.189011      1.983596
  C      -5.258714     -5.827418      2.403052
  N      -5.159719     -4.802521      3.441616
  Mo     -3.484862     -4.412894      4.421675
  N      -3.268942     -5.862602      5.780240
  C      -2.823645     -7.207208      5.427583
  C      -3.191259     -7.452161      3.978924
  H      -3.297465     -7.969611      6.065950
  H      -1.732886     -7.291875      5.591457
  H      -4.260888     -7.688680      3.912392
  H      -2.622038     -8.286822      3.537773
  H      -5.823707     -5.471036      1.525085
  H      -5.809256     -6.705393      2.792526
  H      -3.460909     -5.419024      1.305109
  H      -3.797305     -7.162439      1.469031
  H      -0.332385     -4.251873      2.475327
  H      -1.538965     -4.561833      1.219757
  H      -0.974530     -6.108772      3.792373
  H      -1.188728     -6.726731      2.131759
  C      -2.343176     -2.358884      2.489210
  C      -1.479014     -1.949793      1.456389
  C      -1.556900     -0.688233      0.856286
  C      -0.591448     -0.400824     -0.206198
  O       0.278503     -1.177257     -0.605942
  C      -0.687580      0.948687     -0.927199
  O      -1.652241      1.454749     -1.417044
  F       0.547895      1.513221     -1.070621
  C      -2.522329      0.250495      1.308771
  C      -3.344262     -0.094981      2.350717
  C      -3.284034     -1.368739      2.990380
  C      -4.125529     -1.554862      4.102145
  O      -4.147651     -2.616268      4.851306
  C      -6.343251     -4.109701      3.779907
  C      -6.988725     -4.382511      4.992240
  C      -8.154925     -3.692406      5.352115
  C      -8.877513     -3.993390      6.600757
  O      -9.958188     -3.514157      6.918802
  C      -8.207057     -4.912499      7.631601
  O      -7.160812     -4.727339      8.175549
  F      -9.027419     -5.934684      7.995242
  C      -8.690200     -2.710448      4.490779
  C      -8.042094     -2.414083      3.307195
  C      -6.863510     -3.092275      2.939047
  C      -6.149931     -2.685646      1.709141
  O      -6.574025     -1.856326      0.914096
  C      -3.460691     -5.552327      7.125652
  C      -4.327109     -6.331589      7.911328
  C      -4.506917     -6.073697      9.273036
  C      -5.435623     -6.839057     10.129462
  O      -5.565879     -6.617385     11.331644
  C      -6.305710     -7.940057      9.504379
  O      -6.613223     -8.118403      8.359580
  F      -6.793704     -8.759561     10.475502
  C      -3.776181     -5.022668      9.890639
  C      -2.913054     -4.258201      9.140255
  C      -2.743284     -4.480751      7.751443
  C      -1.853450     -3.644328      7.011424
  O      -1.808659     -3.564153      5.756581
  H      -0.713243     -2.618639      1.068725
  H      -2.612688      1.228028      0.838972
  H      -4.080053      0.620443      2.723275
  H      -4.788643     -0.739221      4.413272
  H      -6.562916     -5.147307      5.644528
  H      -9.603096     -2.193044      4.786342
  H      -8.412735     -1.634863      2.638799
  H      -5.159401     -3.170175      1.550999
  H      -4.888528     -7.131504      7.433767
  H      -3.926150     -4.836086     10.953037
  H      -2.355140     -3.441573      9.604679
  H      -1.160885     -3.007972      7.593952
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911132430650
  N      -2.321596     -3.657903      2.958956
  C      -1.384884     -4.577490      2.307193
  C      -1.555797     -5.986960      2.860886
  N      -2.980489     -6.212569      3.194545
  C      -3.855872     -6.197368      1.985809
  C      -5.268873     -5.833733      2.407138
  N      -5.167616     -4.807795      3.444320
  Mo     -3.490804     -4.417778      4.420971
  N      -3.269643     -5.864152      5.781606
  C      -2.825207     -7.209390      5.429655
  C      -3.197571     -7.457060      3.982372
  H      -3.296718     -7.970509      6.071231
  H      -1.733763     -7.293453      5.589551
  H      -4.267490     -7.693374      3.919890
  H      -2.629984     -8.292503      3.540590
  H      -5.833989     -5.477270      1.529212
  H      -5.820076     -6.710658      2.797937
  H      -3.472787     -5.429280      1.304587
  H      -3.809767     -7.171909      1.473252
  H      -0.342133     -4.257436      2.468806
  H      -1.551137     -4.569027      1.215926
  H      -0.982360     -6.113898      3.788652
  H      -1.199029     -6.733009      2.128733
  C      -2.353826     -2.363907      2.484593
  C      -1.484822     -1.950870      1.456914
  C      -1.558038     -0.685738      0.863400
  C      -0.584873     -0.392792     -0.190767
  O       0.285457     -1.168376     -0.590891
  C      -0.675391      0.962055     -0.902714
  O      -1.638891      1.478248     -1.384143
  F       0.562192      1.523567     -1.040676
  C      -2.524505      0.251840      1.315951
  C      -3.350763     -0.097413      2.352930
  C      -3.294040     -1.373904      2.987456
  C      -4.132143     -1.559640      4.101612
  O      -4.151526     -2.620655      4.851240
  C      -6.348444     -4.107658      3.777052
  C      -7.005084     -4.377469      4.984371
  C      -8.173081     -3.684182      5.332592
  C      -8.911050     -3.984628      6.572455
  O      -9.993768     -3.501812      6.877908
  C      -8.249372     -4.893519      7.617716
  O      -7.211176     -4.699740      8.174043
  F      -9.065081     -5.923173      7.970142
  C      -8.697226     -2.700466      4.466263
  C      -8.037008     -2.405684      3.289223
  C      -6.857633     -3.088264      2.931774
  C      -6.131934     -2.684035      1.708212
  O      -6.550258     -1.859340      0.905300
  C      -3.456052     -5.549875      7.127267
  C      -4.315044     -6.330219      7.919614
  C      -4.487245     -6.070792      9.281850
  C      -5.404950     -6.841903     10.145158
  O      -5.528615     -6.620436     11.348030
  C      -6.260963     -7.958748      9.529025
  O      -6.566095     -8.149966      8.385643
  F      -6.727489     -8.784932     10.504974
  C      -3.758428     -5.014468      9.892764
  C      -2.901868     -4.248389      9.135984
  C      -2.738438     -4.474122      7.746704
  C      -1.841042     -3.648525      7.000052
  O      -1.803972     -3.571884      5.744469
  H      -0.715968     -2.617197      1.071286
  H      -2.610618      1.232387      0.851639
  H      -4.084893      0.618436      2.728016
  H      -4.792706     -0.743229      4.416175
  H      -6.589296     -5.145535      5.639239
  H      -9.611543     -2.180549      4.752869
  H      -8.398916     -1.625196      2.617555
  H      -5.144734     -3.176764      1.554714
  H      -4.875010     -7.134312      7.447257
  H      -3.902007     -4.827337     10.955951
  H      -2.341487     -3.431097      9.596309
  H      -1.141643     -3.014161      7.577083
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911050251720
  N      -2.326969     -3.661093      2.954489
  C      -1.390980     -4.581277      2.302250
  C      -1.561301     -5.990385      2.857118
  N      -2.985459     -6.216039      3.193184
  C      -3.862783     -6.202132      1.986005
  C      -5.275218     -5.837437      2.408885
  N      -5.172210     -4.810621      3.444875
  Mo     -3.494117     -4.420321      4.418546
  N      -3.269348     -5.864235      5.780618
  C      -2.825688     -7.210038      5.429669
  C      -3.201057     -7.459580      3.983368
  H      -3.295852     -7.970003      6.073606
  H      -1.733825     -7.293869      5.587067
  H      -4.271194     -7.695577      3.923370
  H      -2.634628     -8.295659      3.541311
  H      -5.840885     -5.481122      1.531157
  H      -5.826530     -6.713735      2.800903
  H      -3.480554     -5.435054      1.303179
  H      -3.817777     -7.177275      1.474484
  H      -0.348046     -4.261102      2.462311
  H      -1.558865     -4.573451      1.211233
  H      -0.986578     -6.116512      3.784183
  H      -1.205388     -6.736864      2.124976
  C      -2.358423     -2.366402      2.481106
  C      -1.487004     -1.951472      1.456011
  C      -1.556685     -0.683916      0.867141
  C      -0.579663     -0.387637     -0.182510
  O       0.291923     -1.161708     -0.582633
  C      -0.663699      0.972497     -0.885201
  O      -1.621228      1.488345     -1.378535
  F       0.577410      1.527417     -1.020240
  C      -2.522429      0.253810      1.320790
  C      -3.350905     -0.097430      2.355261
  C      -3.296890     -1.375795      2.986118
  C      -4.133286     -1.561381      4.101614
  O      -4.152073     -2.622758      4.850652
  C      -6.352038     -4.108861      3.777898
  C      -7.012458     -4.381083      4.982684
  C      -8.180692     -3.687316      5.329178
  C      -8.923833     -3.992203      6.564847
  O     -10.009578     -3.513784      6.866197
  C      -8.268745     -4.907563      7.608555
  O      -7.230283     -4.722021      8.167225
  F      -9.070683     -5.959831      7.924303
  C      -8.700576     -2.699922      4.464611
  C      -8.036571     -2.402659      3.290307
  C      -6.857851     -3.086872      2.933673
  C      -6.130763     -2.683123      1.710836
  O      -6.541696     -1.847975      0.914884
  C      -3.452673     -5.546167      7.125982
  C      -4.309104     -6.324938      7.922506
  C      -4.477715     -6.062410      9.284550
  C      -5.390950     -6.833667     10.152633
  O      -5.522648     -6.598817     11.352165
  C      -6.242359     -7.957568      9.543282
  O      -6.553687     -8.152169      8.402083
  F      -6.732066     -8.760157     10.527479
  C      -3.749167     -5.002922      9.890536
  C      -2.894364     -4.238530      9.129753
  C      -2.733679     -4.468352      7.740716
  C      -1.831067     -3.650760      6.989790
  O      -1.797508     -3.577425      5.733861
  H      -0.717658     -2.616983      1.070003
  H      -2.605663      1.236292      0.859987
  H      -4.083498      0.618903      2.732454
  H      -4.791502     -0.744094      4.418812
  H      -6.600149     -5.152233      5.636208
  H      -9.614973     -2.179483      4.750019
  H      -8.395707     -1.620020      2.619677
  H      -5.141148     -3.172174      1.561131
  H      -4.868988     -7.131304      7.453903
  H      -3.889766     -4.813608     10.953729
  H      -2.332012     -3.420858      9.587022
  H      -1.126865     -3.018417      7.563559
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911136139206
  N      -2.324142     -3.659652      2.956456
  C      -1.387665     -4.579255      2.304331
  C      -1.557999     -5.988672      2.858417
  N      -2.982341     -6.214570      3.193356
  C      -3.858783     -6.200173      1.985421
  C      -5.271590     -5.836308      2.407519
  N      -5.169638     -4.809918      3.444082
  Mo     -3.492312     -4.419437      4.419244
  N      -3.269358     -5.864748      5.780307
  C      -2.825299     -7.210244      5.429127
  C      -3.198581     -7.458701      3.982185
  H      -3.296522     -7.970828      6.071584
  H      -1.733727     -7.294289      5.588320
  H      -4.268520     -7.695144      3.920506
  H      -2.631209     -8.294315      3.540450
  H      -5.837035     -5.479926      1.529705
  H      -5.822787     -6.713007      2.798840
  H      -3.476264     -5.432487      1.303457
  H      -3.813077     -7.174980      1.473324
  H      -0.344876     -4.259083      2.465511
  H      -1.554439     -4.570884      1.213156
  H      -0.983776     -6.115192      3.785746
  H      -1.201645     -6.734817      2.126156
  C      -2.355484     -2.365051      2.483565
  C      -1.485607     -1.951034      1.456956
  C      -1.557029     -0.684571      0.866046
  C      -0.582654     -0.390129     -0.186538
  O       0.287968     -1.165074     -0.587192
  C      -0.669591      0.967586     -0.893480
  O      -1.631214      1.487104     -1.375004
  F       0.569481      1.526758     -1.028241
  C      -2.522619      0.253239      1.319911
  C      -3.349645     -0.097080      2.355917
  C      -3.294424     -1.374713      2.988198
  C      -4.132066     -1.560810      4.102706
  O      -4.151739     -2.622479      4.851478
  C      -6.350313     -4.109628      3.777321
  C      -7.007745     -4.380315      4.984016
  C      -8.175192     -3.686254      5.332586
  C      -8.913740     -3.987665      6.571849
  O      -9.999049     -3.509427      6.875228
  C      -8.255614     -4.902304      7.614263
  O      -7.220227     -4.710658      8.176512
  F      -9.068186     -5.939651      7.951351
  C      -8.698051     -2.701016      4.467328
  C      -8.037314     -2.405722      3.290675
  C      -6.858813     -3.089454      2.932547
  C      -6.134652     -2.687210      1.707431
  O      -6.549622     -1.856579      0.908868
  C      -3.454514     -5.547985      7.125484
  C      -4.313375     -6.326430      7.919880
  C      -4.484581     -6.064276      9.281668
  C      -5.401367     -6.833954     10.147309
  O      -5.534104     -6.600670     11.346992
  C      -6.256705     -7.953122      9.534490
  O      -6.555004     -8.153011      8.390762
  F      -6.731963     -8.769984     10.514061
  C      -3.755492     -5.006450      9.889872
  C      -2.898315     -4.242734      9.131274
  C      -2.735437     -4.471630      7.742428
  C      -1.834741     -3.651215      6.993506
  O      -1.799068     -3.576760      5.737733
  H      -0.717090     -2.617259      1.070466
  H      -2.607362      1.234823      0.857519
  H      -4.082853      0.618999      2.732369
  H      -4.791430     -0.743998      4.418708
  H      -6.592730     -5.149271      5.638384
  H      -9.611901     -2.180464      4.754277
  H      -8.398615     -1.624555      2.619478
  H      -5.147023     -3.179135      1.554178
  H      -4.873621     -7.131550      7.449588
  H      -3.898328     -4.817225     10.952784
  H      -2.336626     -3.425400      9.589942
  H      -1.131917     -3.018867      7.568750
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911081862309
  N      -2.320189     -3.657247      2.959306
  C      -1.383035     -4.576411      2.307823
  C      -1.553993     -5.986161      2.860927
  N      -2.978845     -6.211893      3.193574
  C      -3.853400     -6.196416      1.984075
  C      -5.266786     -5.833009      2.404271
  N      -5.166533     -4.807727      3.442224
  Mo     -3.490513     -4.417594      4.419963
  N      -3.270653     -5.864496      5.779924
  C      -2.826703     -7.209879      5.428469
  C      -3.196894     -7.456694      3.980522
  H      -3.299962     -7.971104      6.068710
  H      -1.735635     -7.294817      5.590452
  H      -4.266679     -7.693137      3.916280
  H      -2.628613     -8.292052      3.539442
  H      -5.831159     -5.475940      1.526101
  H      -5.818518     -6.710150      2.793885
  H      -3.469715     -5.428100      1.303462
  H      -3.806942     -7.170794      1.471239
  H      -0.340393     -4.256562      2.470762
  H      -1.547943     -4.567459      1.216367
  H      -0.980977     -6.113269      3.788928
  H      -1.196863     -6.732020      2.128761
  C      -2.351104     -2.362793      2.486913
  C      -1.482993     -1.950034      1.458419
  C      -1.556412     -0.684953      0.865000
  C      -0.585644     -0.392766     -0.191437
  O       0.282289     -1.169500     -0.594663
  C      -0.677617      0.961234     -0.904642
  O      -1.642215      1.477207     -1.384139
  F       0.558807      1.525786     -1.040129
  C      -2.521745      0.253082      1.318926
  C      -3.347073     -0.095856      2.356817
  C      -3.290590     -1.372579      2.990913
  C      -4.129740     -1.559062      4.104233
  O      -4.150915     -2.621199      4.852435
  C      -6.348424     -4.109929      3.776433
  C      -7.003033     -4.381852      4.984314
  C      -8.170356     -3.689191      5.335944
  C      -8.904678     -3.991136      6.577482
  O      -9.984347     -3.505381      6.888962
  C      -8.237974     -4.898517      7.620852
  O      -7.197549     -4.703415      8.172485
  F      -9.048389     -5.932570      7.972887
  C      -8.696266     -2.704240      4.472132
  C      -8.038396     -2.407878      3.294141
  C      -6.859508     -3.089533      2.933506
  C      -6.136557     -2.683813      1.708707
  O      -6.561601     -1.866046      0.902273
  C      -3.457849     -5.549380      7.124953
  C      -4.320037     -6.327120      7.916697
  C      -4.494269     -6.065480      9.278224
  C      -5.416436     -6.831884     10.141145
  O      -5.537864     -6.610811     11.344295
  C      -6.267880     -7.954024      9.527989
  O      -6.574559     -8.148438      8.385608
  F      -6.745690     -8.768444     10.508403
  C      -3.763278     -5.010682      9.889350
  C      -2.902937     -4.248096      9.133484
  C      -2.737887     -4.475457      7.744752
  C      -1.839419     -3.651486      6.998533
  O      -1.800646     -3.575284      5.743046
  H      -0.715573     -2.617267      1.071463
  H      -2.608046      1.233629      0.854621
  H      -4.080882      0.620084      2.732332
  H      -4.790283     -0.742663      4.418802
  H      -6.585288     -5.150003      5.637890
  H      -9.610004     -2.184770      4.761404
  H      -8.401686     -1.626490      2.624249
  H      -5.155728     -3.186056      1.545646
  H      -4.881071     -7.130370      7.444280
  H      -3.908649     -4.821598     10.951949
  H      -2.341408     -3.431704      9.594011
  H      -1.138546     -3.019229      7.576049
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911138620118
  N      -2.322680     -3.658911      2.957945
  C      -1.385839     -4.578238      2.306139
  C      -1.556275     -5.987799      2.859880
  N      -2.980806     -6.213616      3.193887
  C      -3.856432     -6.198668      1.985233
  C      -5.269506     -5.834935      2.406398
  N      -5.168403     -4.809241      3.443823
  Mo     -3.491582     -4.418845      4.419926
  N      -3.269959     -5.864942      5.780331
  C      -2.826261     -7.210487      5.429225
  C      -3.197928     -7.458099      3.981765
  H      -3.298779     -7.971266      6.070548
  H      -1.734979     -7.295239      5.589977
  H      -4.267765     -7.694624      3.918717
  H      -2.630030     -8.293582      3.540434
  H      -5.834343     -5.478044      1.528425
  H      -5.821149     -6.711829      2.796674
  H      -3.473301     -5.430679      1.303941
  H      -3.810448     -7.173258      1.472754
  H      -0.343130     -4.258180      2.468215
  H      -1.551633     -4.569679      1.214822
  H      -0.982485     -6.114489      3.787456
  H      -1.199656     -6.733869      2.127673
  C      -2.353975     -2.364362      2.485464
  C      -1.485360     -1.950878      1.457616
  C      -1.558051     -0.685084      0.865581
  C      -0.586094     -0.391508     -0.189347
  O       0.282924     -1.167220     -0.592180
  C      -0.675598      0.964638     -0.898776
  O      -1.637310      1.478750     -1.385909
  F       0.562771      1.524516     -1.036670
  C      -2.523366      0.252785      1.319879
  C      -3.349158     -0.096922      2.357118
  C      -3.293062     -1.374143      2.990203
  C      -4.130988     -1.560399      4.104502
  O      -4.151203     -2.622338      4.852995
  C      -6.349550     -4.109654      3.776966
  C      -7.007738     -4.382364      4.982761
  C      -8.175377     -3.688905      5.331908
  C      -8.914488     -3.992473      6.570240
  O      -9.996653     -3.509345      6.877047
  C      -8.253928     -4.904321      7.613588
  O      -7.216591     -4.711787      8.171917
  F      -9.065114     -5.941478      7.954561
  C      -8.697549     -2.701992      4.468143
  C      -8.035883     -2.404517      3.292556
  C      -6.857094     -3.087466      2.934035
  C      -6.130747     -2.681347      1.711430
  O      -6.545216     -1.849778      0.913639
  C      -3.455628     -5.548333      7.125287
  C      -4.316328     -6.325690      7.918947
  C      -4.488266     -6.063322      9.280595
  C      -5.408115     -6.830241     10.145495
  O      -5.534216     -6.602703     11.346975
  C      -6.261501     -7.951574      9.533682
  O      -6.560141     -8.152854      8.390320
  F      -6.732869     -8.769903     10.513947
  C      -3.757250     -5.007301      9.889666
  C      -2.898228     -4.244985      9.131908
  C      -2.734957     -4.473619      7.743120
  C      -1.835034     -3.652476      6.994944
  O      -1.798130     -3.577555      5.739270
  H      -0.717565     -2.617619      1.070577
  H      -2.609057      1.233894      0.856624
  H      -4.082521      0.619057      2.733447
  H      -4.790748     -0.743744      4.420046
  H      -6.593127     -5.152406      5.636115
  H      -9.611521     -2.181887      4.755528
  H      -8.396326     -1.621684      2.622828
  H      -5.143070     -3.173182      1.558141
  H      -4.877601     -7.129726      7.448088
  H      -3.900846     -4.817711     10.952410
  H      -2.335811     -3.428452      9.591109
  H      -1.132271     -3.020758      7.570876
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911075754550
  N      -2.326111     -3.661689      2.954427
  C      -1.389776     -4.581107      2.301937
  C      -1.559421     -5.990590      2.856352
  N      -2.983401     -6.216847      3.192635
  C      -3.860803     -6.203075      1.985424
  C      -5.273338     -5.838678      2.408284
  N      -5.170750     -4.812324      3.444742
  Mo     -3.492731     -4.421388      4.418387
  N      -3.268064     -5.865927      5.779469
  C      -2.824649     -7.211725      5.428848
  C      -3.198766     -7.460713      3.982115
  H      -3.295945     -7.971830      6.071868
  H      -1.733018     -7.296065      5.587570
  H      -4.268692     -7.697420      3.921221
  H      -2.631536     -8.296403      3.540338
  H      -5.838860     -5.481917      1.530629
  H      -5.824826     -6.715171      2.799659
  H      -3.478666     -5.435965      1.302586
  H      -3.815639     -7.178204      1.473906
  H      -0.346999     -4.260528      2.462372
  H      -1.557249     -4.572950      1.210845
  H      -0.984346     -6.116714      3.783207
  H      -1.203477     -6.736721      2.123882
  C      -2.357524     -2.366606      2.482587
  C      -1.487676     -1.951543      1.456243
  C      -1.558204     -0.683946      0.867632
  C      -0.583847     -0.388474     -0.184742
  O       0.285968     -1.163429     -0.586966
  C      -0.669377      0.970938     -0.888678
  O      -1.633392      1.500285     -1.354510
  F       0.568852      1.533831     -1.015074
  C      -2.522696      0.253938      1.323613
  C      -3.349476     -0.097372      2.359415
  C      -3.295136     -1.376118      2.989553
  C      -4.131194     -1.562488      4.105177
  O      -4.150692     -2.624852      4.853080
  C      -6.351027     -4.110979      3.777462
  C      -7.011638     -4.383076      4.982179
  C      -8.179372     -3.688545      5.328974
  C      -8.921503     -3.991781      6.565651
  O     -10.010431     -3.518618      6.864065
  C      -8.269891     -4.913162      7.606061
  O      -7.241138     -4.721663      8.180348
  F      -9.084061     -5.953363      7.930330
  C      -8.699155     -2.701240      4.464189
  C      -8.035240     -2.404548      3.289736
  C      -6.856768     -3.089089      2.933112
  C      -6.130392     -2.686619      1.709326
  O      -6.542374     -1.853177      0.912146
  C      -3.450774     -5.546865      7.124442
  C      -4.309027     -6.323322      7.921429
  C      -4.477070     -6.059486      9.283218
  C      -5.392420     -6.827634     10.151863
  O      -5.530281     -6.585413     11.349182
  C      -6.252147     -7.944773      9.541422
  O      -6.554948     -8.143396      8.398646
  F      -6.748769     -8.744012     10.524916
  C      -3.746104     -5.001236      9.888566
  C      -2.889142     -4.239608      9.127549
  C      -2.728931     -4.470645      7.738717
  C      -1.825376     -3.655368      6.987019
  O      -1.792218     -3.582508      5.731019
  H      -0.719596     -2.617644      1.068717
  H      -2.606525      1.236528      0.863209
  H      -4.081372      0.619015      2.737837
  H      -4.789065     -0.745259      4.423174
  H      -6.599332     -5.153983      5.635982
  H      -9.613254     -2.180364      4.749748
  H      -8.394269     -1.622029      2.618894
  H      -5.143099     -3.179433      1.556920
  H      -4.870552     -7.128834      7.453307
  H      -3.886680     -4.810604     10.951527
  H      -2.324964     -3.422971      9.584414
  H      -1.118527     -3.025399      7.560071
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911138901822
  N      -2.324284     -3.659931      2.956048
  C      -1.387570     -4.579259      2.304034
  C      -1.557768     -5.988808      2.857962
  N      -2.982077     -6.214775      3.192812
  C      -3.858403     -6.200282      1.984712
  C      -5.271315     -5.836303      2.406519
  N      -5.169689     -4.810315      3.443498
  Mo     -3.492492     -4.419711      4.418669
  N      -3.269879     -5.865225      5.779197
  C      -2.826363     -7.210930      5.428579
  C      -3.198595     -7.459055      3.981294
  H      -3.298772     -7.971279      6.070505
  H      -1.735001     -7.295690      5.588883
  H      -4.268443     -7.695690      3.918814
  H      -2.630828     -8.294579      3.539882
  H      -5.836402     -5.479435      1.528649
  H      -5.822895     -6.713046      2.797212
  H      -3.475670     -5.432650      1.302803
  H      -3.812736     -7.175093      1.472625
  H      -0.344866     -4.259000      2.465666
  H      -1.553869     -4.570781      1.212785
  H      -0.983518     -6.115306      3.785279
  H      -1.201405     -6.734886      2.125639
  C      -2.354936     -2.364902      2.484549
  C      -1.485512     -1.950638      1.457620
  C      -1.556680     -0.683750      0.867712
  C      -0.583592     -0.389091     -0.185908
  O       0.286032     -1.164158     -0.588539
  C      -0.669972      0.969430     -0.891241
  O      -1.630338      1.487033     -1.377266
  F       0.569424      1.528172     -1.025039
  C      -2.521230      0.254356      1.323095
  C      -3.347641     -0.096149      2.359533
  C      -3.292871     -1.374339      2.990758
  C      -4.130253     -1.560785      4.105433
  O      -4.150816     -2.623278      4.853169
  C      -6.350755     -4.110901      3.777414
  C      -7.008475     -4.383607      4.983483
  C      -8.175906     -3.690043      5.333058
  C      -8.914250     -3.993561      6.571870
  O      -9.999250     -3.515531      6.876667
  C      -8.255840     -4.909672      7.612757
  O      -7.221037     -4.717942      8.176029
  F      -9.065166     -5.951584      7.943629
  C      -8.698529     -2.703221      4.469476
  C      -8.037623     -2.406092      3.293381
  C      -6.859170     -3.089338      2.934233
  C      -6.135257     -2.685479      1.709441
  O      -6.553323     -1.858430      0.908801
  C      -3.454578     -5.547020      7.123967
  C      -4.315230     -6.323003      7.918939
  C      -4.485986     -6.059266      9.280445
  C      -5.404994     -6.825486     10.146913
  O      -5.538187     -6.589230     11.345960
  C      -6.260280     -7.946051      9.536428
  O      -6.555303     -8.151127      8.392767
  F      -6.741590     -8.756252     10.518594
  C      -3.754477     -5.002513      9.887777
  C      -2.895241     -4.241597      9.128744
  C      -2.732752     -4.472011      7.740118
  C      -1.830327     -3.654424      6.990489
  O      -1.794514     -3.580734      5.734658
  H      -0.717885     -2.617259      1.070061
  H      -2.605676      1.236354      0.861489
  H      -4.080085      0.620135      2.737070
  H      -4.788809     -0.743701      4.422355
  H      -6.593584     -5.153592      5.636754
  H      -9.612344     -2.183052      4.757240
  H      -8.398761     -1.623787      2.623418
  H      -5.151313     -3.183107      1.551078
  H      -4.876976     -7.127467      7.449327
  H      -3.897194     -4.811857     10.950446
  H      -2.331617     -3.425303      9.586899
  H      -1.125380     -3.024011      7.565286
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911079157616
  N      -2.321097     -3.658555      2.959948
  C      -1.383558     -4.577056      2.308330
  C      -1.553459     -5.986962      2.861487
  N      -2.978113     -6.213389      3.194508
  C      -3.852928     -6.198162      1.985088
  C      -5.266365     -5.835187      2.405299
  N      -5.166599     -4.810111      3.443583
  Mo     -3.490465     -4.419201      4.420895
  N      -3.270346     -5.866490      5.780128
  C      -2.826172     -7.211795      5.429218
  C      -3.195476     -7.458518      3.981012
  H      -3.300029     -7.973199      6.068878
  H      -1.735265     -7.296790      5.592248
  H      -4.264965     -7.696089      3.916115
  H      -2.626169     -8.293368      3.540269
  H      -5.830763     -5.478069      1.527173
  H      -5.818184     -6.712468      2.794523
  H      -3.469476     -5.429674      1.304544
  H      -3.806281     -7.172489      1.472179
  H      -0.341055     -4.256737      2.471490
  H      -1.548123     -4.568256      1.216841
  H      -0.980014     -6.113695      3.789273
  H      -1.196278     -6.732719      2.129246
  C      -2.353120     -2.364017      2.488049
  C      -1.486316     -1.950693      1.458674
  C      -1.560930     -0.685604      0.865515
  C      -0.592027     -0.392829     -0.192326
  O       0.274201     -1.169991     -0.598589
  C      -0.685709      0.960885     -0.905668
  O      -1.651371      1.475933     -1.384110
  F       0.550362      1.524965     -1.045165
  C      -2.526107      0.251928      1.320767
  C      -3.350207     -0.097530      2.359480
  C      -3.292687     -1.374393      2.993226
  C      -4.130911     -1.561374      4.107203
  O      -4.151419     -2.623755      4.855251
  C      -6.348318     -4.110606      3.775046
  C      -7.007115     -4.382372      4.980717
  C      -8.174770     -3.688426      5.329065
  C      -8.913910     -3.989990      6.567812
  O      -9.992136     -3.499763      6.877228
  C      -8.249159     -4.893115      7.616105
  O      -7.210415     -4.694652      8.169693
  F      -9.061821     -5.923472      7.973587
  C      -8.696467     -2.702176      4.464247
  C      -8.034000     -2.405475      3.288928
  C      -6.854945     -3.088413      2.931617
  C      -6.126517     -2.681530      1.710399
  O      -6.535461     -1.842877      0.917266
  C      -3.457118     -5.550263      7.124821
  C      -4.319611     -6.327085      7.917283
  C      -4.493031     -6.064702      9.278721
  C      -5.415516     -6.829696     10.142560
  O      -5.531969     -6.611492     11.346710
  C      -6.263570     -7.955875      9.531837
  O      -6.564782     -8.157537      8.389291
  F      -6.733511     -8.773329     10.513590
  C      -3.760782     -5.010228      9.889103
  C      -2.899847     -4.248892      9.132733
  C      -2.735420     -4.477050      7.744047
  C      -1.836349     -3.654855      6.997020
  O      -1.797718     -3.579436      5.741409
  H      -0.719343     -2.617926      1.070850
  H      -2.613258      1.232545      0.856743
  H      -4.083973      0.618026      2.735819
  H      -4.791420     -0.745163      4.422297
  H      -6.592596     -5.151569      5.635112
  H      -9.610494     -2.181785      4.750958
  H      -8.393687     -1.622696      2.618697
  H      -5.134308     -3.166200      1.563732
  H      -4.881210     -7.130288      7.445481
  H      -3.905648     -4.820484     10.951647
  H      -2.337330     -3.432922      9.592800
  H      -1.133944     -3.023665      7.573851
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.910959824503
  N      -2.323625     -3.659939      2.956933
  C      -1.386651     -4.578957      2.304998
  C      -1.556630     -5.988615      2.858775
  N      -2.980976     -6.214752      3.193320
  C      -3.857019     -6.200052      1.984944
  C      -5.270037     -5.836225      2.406405
  N      -5.168874     -4.810590      3.443833
  Mo     -3.491848     -4.419869      4.419352
  N      -3.269804     -5.865867      5.779354
  C      -2.826241     -7.211522      5.428822
  C      -3.197618     -7.459283      3.981254
  H      -3.299244     -7.972039      6.070143
  H      -1.735026     -7.296488      5.589975
  H      -4.267343     -7.696286      3.918100
  H      -2.629353     -8.294572      3.540028
  H      -5.834898     -5.479151      1.528491
  H      -5.821778     -6.713097      2.796601
  H      -3.474099     -5.432263      1.303310
  H      -3.811196     -7.174761      1.472683
  H      -0.344028     -4.258548      2.466940
  H      -1.552569     -4.570459      1.213691
  H      -0.982476     -6.115107      3.786156
  H      -1.200107     -6.734603      2.126443
  C      -2.354783     -2.364983      2.485485
  C      -1.486349     -1.950844      1.457681
  C      -1.558550     -0.684324      0.867181
  C      -0.587021     -0.389998     -0.187920
  O       0.281304     -1.165649     -0.592305
  C      -0.675592      0.967390     -0.895073
  O      -1.637620      1.484554     -1.378328
  F       0.562615      1.528578     -1.029010
  C      -2.523010      0.253635      1.323044
  C      -3.348463     -0.096688      2.360318
  C      -3.292884     -1.374664      2.991951
  C      -4.129956     -1.561231      4.106842
  O      -4.150416     -2.623838      4.854494
  C      -6.350019     -4.110898      3.776912
  C      -7.009076     -4.384061      4.982155
  C      -8.176645     -3.690304      5.330964
  C      -8.916438     -3.994217      6.568799
  O     -10.000120     -3.513444      6.873982
  C      -8.258093     -4.908752      7.611111
  O      -7.223335     -4.715971      8.174095
  F      -9.069049     -5.948018      7.946188
  C      -8.697955     -2.702708      4.467460
  C      -8.035520     -2.404911      3.292406
  C      -6.856883     -3.088234      2.934141
  C      -6.130454     -2.682556      1.711399
  O      -6.545111     -1.851556      0.913122
  C      -3.454580     -5.547678      7.124061
  C      -4.315868     -6.323266      7.918804
  C      -4.486550     -6.059673      9.280344
  C      -5.406478     -6.824927     10.146713
  O      -5.535837     -6.591844     11.346794
  C      -6.261345     -7.946140      9.536689
  O      -6.557742     -8.150938      8.393350
  F      -6.742855     -8.755597     10.519395
  C      -3.754041     -5.003778      9.887998
  C      -2.894202     -4.243354      9.129243
  C      -2.731850     -4.473483      7.740569
  C      -1.829784     -3.655655      6.991174
  O      -1.793553     -3.581767      5.735354
  H      -0.719072     -2.617636      1.069731
  H      -2.608211      1.235380      0.861026
  H      -4.080978      0.619452      2.737988
  H      -4.788673     -0.744278      4.423749
  H      -6.595218     -5.154655      5.635356
  H      -9.611890     -2.182410      4.754617
  H      -8.395370     -1.621717      2.622778
  H      -5.144195     -3.176734      1.556629
  H      -4.878092     -7.127237      7.448957
  H      -3.896796     -4.813130     10.950664
  H      -2.330139     -3.427482      9.587606
  H      -1.124706     -3.025606      7.566167
74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca E -6555.911147929955
  N      -2.323538     -3.660010      2.956934
  C      -1.386479     -4.578890      2.304962
  C      -1.556355     -5.988600      2.858645
  N      -2.980684     -6.214851      3.193164
  C      -3.856749     -6.200137      1.984791
  C      -5.269789     -5.836373      2.406260
  N      -5.168716     -4.810738      3.443675
  Mo     -3.491760     -4.420009      4.419283
  N      -3.269979     -5.866183      5.778967
  C      -2.826264     -7.211803      5.428627
  C      -3.197241     -7.459500      3.980938
  H      -3.299518     -7.972315      6.069780
  H      -1.735104     -7.296776      5.590152
  H      -4.266899     -7.696734      3.917516
  H      -2.628707     -8.294637      3.539774
  H      -5.834648     -5.479287      1.528340
  H      -5.821520     -6.713270      2.796424
  H      -3.473864     -5.432336      1.303160
  H      -3.810911     -7.174837      1.472517
  H      -0.343895     -4.258381      2.466969
  H      -1.552343     -4.570359      1.213649
  H      -0.982194     -6.115090      3.786023
  H      -1.199779     -6.734521      2.126272
  C      -2.354704     -2.364943      2.485777
  C      -1.486478     -1.950669      1.457838
  C      -1.558743     -0.684041      0.867601
  C      -0.587645     -0.389618     -0.187858
  O       0.280752     -1.165072     -0.592457
  C      -0.675900      0.968164     -0.894264
  O      -1.637852      1.485755     -1.377206
  F       0.562410      1.529167     -1.027917
  C      -2.522919      0.253949      1.323970
  C      -3.348082     -0.096475      2.361440
  C      -3.292514     -1.374606      2.992759
  C      -4.129384     -1.561300      4.107789
  O      -4.149993     -2.624155      4.855123
  C      -6.349974     -4.111250      3.776842
  C      -7.008583     -4.384010      4.982430
  C      -8.176114     -3.690242      5.331368
  C      -8.915246     -3.993520      6.569751
  O      -9.999115     -3.513179      6.874944
  C      -8.256284     -4.907250      7.612360
  O      -7.221780     -4.713375      8.175432
  F      -9.066247     -5.947300      7.947405
  C      -8.697949     -2.703186      4.467578
  C      -8.036073     -2.405923      3.292074
  C      -6.857482     -3.089238      2.933671
  C      -6.132158     -2.684698      1.709886
  O      -6.547346     -1.854105      0.911466
  C      -3.454961     -5.547691      7.123571
  C      -4.316797     -6.322775      7.918196
  C      -4.487645     -6.058937      9.279663
  C      -5.407997     -6.823683     10.146022
  O      -5.537874     -6.589883     11.345916
  C      -6.262189     -7.945590      9.536350
  O      -6.556704     -8.152270      8.392859
  F      -6.745444     -8.753390     10.519571
  C      -3.754836     -5.003195      9.887285
  C      -2.894418     -4.243309      9.128646
  C      -2.731784     -4.473764      7.740037
  C      -1.828891     -3.656777      6.990724
  O      -1.792331     -3.583003      5.734875
  H      -0.719420     -2.617510      1.069539
  H      -2.608153      1.235792      0.862159
  H      -4.080397      0.619678      2.739471
  H      -4.787789     -0.744261      4.425106
  H      -6.594275     -5.154112      5.635931
  H      -9.611864     -2.182912      4.754843
  H      -8.396447     -1.623289      2.622074
  H      -5.146187     -3.179245      1.554530
  H      -4.879201     -7.126613      7.448330
  H      -3.897738     -4.812328     10.949892
  H      -2.330037     -3.427681      9.587050
  H      -1.123172     -3.027383      7.566141
