72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7244.898637088017
  N      -3.058031     -3.540972      1.980329
  C      -3.053206     -4.156717      0.661078
  C      -2.548582     -5.578624      0.884528
  N      -3.346480     -6.116489      2.011967
  C      -4.353665     -7.060954      1.490834
  C      -5.472921     -7.138085      2.514549
  N      -5.779898     -5.750741      2.818368
  Mo     -4.352782     -4.343813      3.200587
  N      -2.876314     -4.931319      4.364055
  C      -1.811247     -5.801244      3.879376
  C      -2.468992     -6.825930      2.967843
  H      -1.313191     -6.315656      4.708163
  H      -1.061640     -5.207407      3.334636
  H      -3.075296     -7.494736      3.585505
  H      -1.722795     -7.425110      2.434915
  H      -6.340308     -7.649796      2.084440
  H      -5.163665     -7.681966      3.418845
  H      -4.768519     -6.657742      0.561268
  H      -3.906132     -8.040689      1.292477
  H      -2.445258     -3.600882     -0.056752
  H      -4.085548     -4.168270      0.280371
  H      -1.490709     -5.548877      1.156917
  H      -2.658398     -6.197407     -0.009319
  C      -2.066701     -2.624378      2.243187
  C      -0.832695     -2.620448      1.568380
  C       0.152471     -1.707193      1.872296
  C      -0.046292     -0.749240      2.863779
  C      -1.247717     -0.700987      3.530340
  C      -2.272295     -1.611084      3.230247
  C      -3.556973     -1.550723      3.874982
  O      -4.238920     -2.632340      4.003828
  C      -4.173838     -0.353705      4.335772
  F      -5.363574     -0.604678      4.954619
  S      -3.735903      1.211282      4.120912
  C      -7.070255     -5.493593      3.189647
  C      -7.858914     -6.466126      3.834417
  C      -9.140916     -6.192344      4.247264
  C      -9.712876     -4.942588      4.011085
  C      -8.993979     -3.980539      3.343080
  C      -7.684806     -4.230078      2.905005
  C      -6.929821     -3.297353      2.104947
  O      -5.658576     -3.395497      2.093997
  C      -7.484308     -2.283536      1.254873
  F      -8.826704     -2.210740      1.145778
  S      -6.556795     -1.240751      0.391476
  C      -2.599086     -4.251363      5.529889
  C      -1.279421     -3.988031      5.937279
  C      -1.007707     -3.222415      7.048395
  C      -2.044066     -2.697478      7.817546
  C      -3.346538     -2.978180      7.483220
  C      -3.661276     -3.772288      6.367735
  C      -5.015386     -4.181492      6.085149
  O      -5.335986     -4.587677      4.908901
  C      -6.055083     -4.256897      7.064301
  F      -7.248713     -4.582763      6.496908
  S      -6.016474     -4.097251      8.697543
  H      -0.618316     -3.364986      0.819089
  H       1.095505     -1.753117      1.349715
  H       0.739438     -0.057612      3.119598
  H      -1.394800      0.009911      4.327469
  H      -7.427335     -7.423141      4.079707
  H      -9.700868     -6.945603      4.779667
  H     -10.711039     -4.727739      4.357310
  H      -9.434258     -3.011236      3.175226
  H      -0.452071     -4.329548      5.338238
  H       0.016784     -3.004049      7.305478
  H      -1.829146     -2.068722      8.666092
  H      -4.150552     -2.561821      8.066407
  N      -4.497078     -4.739677      1.112677
  H      -5.057671     -5.565097      0.905845
  H      -3.589412     -4.900602      0.678386
  H      -4.924250     -3.973081      0.594781
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.020815743940
  N      -3.036393     -3.524447      1.966333
  C      -3.010452     -4.129520      0.641468
  C      -2.515058     -5.593915      0.872000
  N      -3.333892     -6.142029      2.005698
  C      -4.345438     -7.105271      1.489731
  C      -5.470949     -7.157900      2.519004
  N      -5.799376     -5.760527      2.817009
  Mo     -4.362688     -4.342122      3.192178
  N      -2.875217     -4.938869      4.355318
  C      -1.808097     -5.812416      3.875166
  C      -2.458534     -6.845612      2.968841
  H      -1.312320     -6.322928      4.708684
  H      -1.056091     -5.220336      3.329759
  H      -3.067067     -7.513431      3.586505
  H      -1.707359     -7.446680      2.442611
  H      -6.335654     -7.681635      2.095862
  H      -5.155984     -7.686242      3.432020
  H      -4.762451     -6.730062      0.552481
  H      -3.893573     -8.087417      1.306908
  H      -2.385885     -3.567607     -0.067467
  H      -4.075083     -4.130065      0.227846
  H      -1.460313     -5.562681      1.156605
  H      -2.614770     -6.214530     -0.024595
  C      -2.042029     -2.608340      2.243393
  C      -0.799640     -2.607876      1.579231
  C       0.186522     -1.695140      1.893174
  C      -0.022392     -0.735887      2.884177
  C      -1.233969     -0.686375      3.539271
  C      -2.259452     -1.595451      3.229577
  C      -3.553070     -1.532342      3.864260
  O      -4.241443     -2.620506      3.991885
  C      -4.176152     -0.333722      4.322485
  F      -5.370698     -0.590813      4.933683
  S      -3.739436      1.233525      4.114139
  C      -7.093928     -5.498038      3.193814
  C      -7.880112     -6.470810      3.844364
  C      -9.163115     -6.196441      4.264390
  C      -9.737114     -4.944647      4.030530
  C      -9.019915     -3.980457      3.357539
  C      -7.710544     -4.228452      2.910961
  C      -6.964216     -3.284738      2.107630
  O      -5.687095     -3.376828      2.083156
  C      -7.531427     -2.267195      1.264000
  F      -8.877303     -2.208379      1.173286
  S      -6.622156     -1.213476      0.391468
  C      -2.598205     -4.255481      5.524947
  C      -1.275839     -3.996153      5.931114
  C      -0.999789     -3.229208      7.044170
  C      -2.035559     -2.699688      7.814800
  C      -3.342238     -2.976839      7.480168
  C      -3.662352     -3.771836      6.364252
  C      -5.023387     -4.176636      6.084035
  O      -5.350218     -4.583831      4.905343
  C      -6.068215     -4.249615      7.066664
  F      -7.262041     -4.569782      6.493946
  S      -6.032410     -4.092038      8.699385
  H      -0.580150     -3.354866      0.829831
  H       1.137041     -1.742769      1.378618
  H       0.763466     -0.043174      3.149203
  H      -1.388760      0.026523      4.335656
  H      -7.445934     -7.430133      4.088402
  H      -9.721602     -6.951688      4.801242
  H     -10.735976     -4.729032      4.382931
  H      -9.462100     -3.008968      3.192320
  H      -0.448575     -4.342354      5.329490
  H       0.028529     -3.013895      7.300822
  H      -1.817715     -2.069616      8.665619
  H      -4.145796     -2.556454      8.064950
  N      -4.522216     -4.738292      1.092969
  H      -5.089454     -5.561977      0.880149
  H      -3.575027     -4.906978      0.651647
  H      -4.962919     -3.958609      0.578395
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.079920900341
  N      -3.010604     -3.510772      1.948190
  C      -2.963911     -4.105166      0.621659
  C      -2.484036     -5.610367      0.863201
  N      -3.323050     -6.164171      2.001364
  C      -4.339735     -7.139977      1.491954
  C      -5.473475     -7.173417      2.523880
  N      -5.822772     -5.771129      2.815429
  Mo     -4.372915     -4.341903      3.181739
  N      -2.871885     -4.947921      4.343580
  C      -1.803645     -5.823447      3.869038
  C      -2.448854     -6.862686      2.970168
  H      -1.309384     -6.329627      4.707061
  H      -1.049517     -5.233391      3.322237
  H      -3.059422     -7.528885      3.588601
  H      -1.694226     -7.466353      2.449389
  H      -6.335792     -7.707160      2.106272
  H      -5.153339     -7.688871      3.443589
  H      -4.755842     -6.786049      0.547659
  H      -3.884133     -8.123905      1.323655
  H      -2.322409     -3.539629     -0.075167
  H      -4.049813     -4.094819      0.176562
  H      -1.432463     -5.578046      1.159812
  H      -2.575192     -6.234240     -0.034020
  C      -2.014819     -2.596235      2.242598
  C      -0.761909     -2.598491      1.593562
  C       0.223139     -1.685819      1.920487
  C       0.001104     -0.723986      2.909268
  C      -1.221441     -0.673129      3.548611
  C      -2.246429     -1.582113      3.227356
  C      -3.548789     -1.514111      3.848775
  O      -4.243476     -2.606897      3.976465
  C      -4.178646     -0.312934      4.300985
  F      -5.378342     -0.574404      4.903287
  S      -3.741313      1.254802      4.096118
  C      -7.116179     -5.504485      3.195337
  C      -7.900556     -6.479641      3.848540
  C      -9.183142     -6.205678      4.276039
  C      -9.760071     -4.950207      4.048849
  C      -9.046211     -3.982441      3.374698
  C      -7.735860     -4.226739      2.917678
  C      -7.002203     -3.270296      2.115293
  O      -5.721213     -3.352345      2.070180
  C      -7.589066     -2.245512      1.282704
  F      -8.937324     -2.205943      1.216873
  S      -6.707662     -1.175706      0.403526
  C      -2.596002     -4.259617      5.517112
  C      -1.271390     -4.003432      5.922516
  C      -0.991953     -3.235361      7.037857
  C      -2.027605     -2.702273      7.809328
  C      -3.337959     -2.976369      7.473224
  C      -3.662445     -3.771692      6.357241
  C      -5.031445     -4.169980      6.081588
  O      -5.365740     -4.578983      4.900120
  C      -6.078625     -4.237435      7.067969
  F      -7.274655     -4.551134      6.491598
  S      -6.041563     -4.080101      8.700655
  H      -0.535050     -3.347565      0.845511
  H       1.182372     -1.735270      1.417175
  H       0.785612     -0.029780      3.185021
  H      -1.386284      0.042752      4.342506
  H      -7.463811     -7.441527      4.088548
  H      -9.739632     -6.964369      4.815241
  H     -10.759116     -4.735244      4.408595
  H      -9.490917     -3.008850      3.215967
  H      -0.444053     -4.353981      5.319022
  H       0.039673     -3.023020      7.294730
  H      -1.808054     -2.071512      8.662937
  H      -4.141738     -2.552760      8.059106
  N      -4.542475     -4.742981      1.073445
  H      -5.116255     -5.564273      0.857243
  H      -3.561621     -4.917248      0.627578
  H      -4.991216     -3.955771      0.562530
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.195394057373
  N      -2.980737     -3.502944      1.926485
  C      -2.922693     -4.084803      0.602994
  C      -2.464926     -5.626680      0.854166
  N      -3.318681     -6.174713      1.996911
  C      -4.339574     -7.157028      1.495528
  C      -5.480838     -7.171574      2.528206
  N      -5.846879     -5.765813      2.814656
  Mo     -4.382482     -4.329387      3.173838
  N      -2.868579     -4.948658      4.332568
  C      -1.801534     -5.828097      3.864128
  C      -2.446026     -6.871016      2.972489
  H      -1.309757     -6.330667      4.706558
  H      -1.043781     -5.242167      3.315962
  H      -3.059877     -7.532866      3.592879
  H      -1.690498     -7.480068      2.456719
  H      -6.340990     -7.712967      2.114647
  H      -5.157063     -7.676587      3.453331
  H      -4.752036     -6.821381      0.544786
  H      -3.882759     -8.143676      1.341049
  H      -2.263481     -3.524722     -0.082164
  H      -4.033355     -4.053040      0.127014
  H      -1.414568     -5.600020      1.161314
  H      -2.551988     -6.255215     -0.044115
  C      -1.977221     -2.600193      2.233915
  C      -0.714250     -2.603237      1.600366
  C       0.271183     -1.692451      1.941895
  C       0.040758     -0.729883      2.930339
  C      -1.189565     -0.677180      3.554439
  C      -2.215280     -1.582649      3.220520
  C      -3.524388     -1.497428      3.835749
  O      -4.231488     -2.586768      3.964136
  C      -4.153659     -0.291488      4.287532
  F      -5.357486     -0.554396      4.884271
  S      -3.711625      1.275791      4.089648
  C      -7.137272     -5.506624      3.193974
  C      -7.907594     -6.497105      3.842642
  C      -9.191384     -6.242615      4.276923
  C      -9.782984     -4.989090      4.062254
  C      -9.081482     -4.005178      3.393335
  C      -7.766941     -4.228444      2.926039
  C      -7.046010     -3.255118      2.127710
  O      -5.757247     -3.321784      2.060104
  C      -7.658916     -2.228053      1.307683
  F      -9.009265     -2.216673      1.266295
  S      -6.812999     -1.137342      0.422233
  C      -2.594809     -4.253475      5.510465
  C      -1.270180     -3.997274      5.920325
  C      -0.992987     -3.228046      7.039530
  C      -2.031086     -2.694568      7.809683
  C      -3.342008     -2.967794      7.467966
  C      -3.665451     -3.762145      6.350381
  C      -5.040529     -4.152754      6.078084
  O      -5.381001     -4.559081      4.895473
  C      -6.091792     -4.218542      7.065859
  F      -7.287795     -4.525590      6.482863
  S      -6.056997     -4.068118      8.698463
  H      -0.480461     -3.350769      0.851116
  H       1.237473     -1.742981      1.448631
  H       0.824375     -0.035786      3.217161
  H      -1.363108      0.040539      4.346853
  H      -7.456390     -7.457359      4.072578
  H      -9.737253     -7.014733      4.812388
  H     -10.784654     -4.788987      4.428457
  H      -9.539605     -3.034905      3.245724
  H      -0.440051     -4.349468      5.318331
  H       0.039969     -3.016405      7.300059
  H      -1.814324     -2.063975      8.667288
  H      -4.148638     -2.543519      8.052537
  N      -4.575645     -4.735003      1.055486
  H      -5.160495     -5.549522      0.837115
  H      -3.552062     -4.923309      0.604251
  H      -5.025048     -3.946457      0.548420
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.259322906957
  N      -2.958578     -3.491385      1.908195
  C      -2.877625     -4.061952      0.586516
  C      -2.437967     -5.641662      0.850934
  N      -3.306868     -6.195641      1.991252
  C      -4.331062     -7.187373      1.501318
  C      -5.480396     -7.182633      2.533814
  N      -5.868996     -5.776142      2.812370
  Mo     -4.393581     -4.328817      3.160783
  N      -2.865538     -4.954881      4.317882
  C      -1.796502     -5.833869      3.855808
  C      -2.434805     -6.884016      2.972636
  H      -1.305640     -6.329953      4.703441
  H      -1.037007     -5.250278      3.306020
  H      -3.050380     -7.544034      3.594257
  H      -1.675813     -7.495363      2.462994
  H      -6.337142     -7.735066      2.126262
  H      -5.152070     -7.674089      3.465228
  H      -4.740664     -6.873467      0.542063
  H      -3.871856     -8.175914      1.364147
  H      -2.201330     -3.501501     -0.081348
  H      -3.990361     -4.017483      0.081299
  H      -1.392191     -5.611031      1.171071
  H      -2.515088     -6.272379     -0.046902
  C      -1.957242     -2.591048      2.235761
  C      -0.684229     -2.598733      1.620668
  C       0.299473     -1.689407      1.975229
  C       0.056014     -0.723314      2.958121
  C      -1.185450     -0.667778      3.563463
  C      -2.209055     -1.572755      3.217641
  C      -3.524627     -1.483513      3.817175
  O      -4.235909     -2.574054      3.946524
  C      -4.159327     -0.275241      4.261159
  F      -5.367297     -0.539836      4.850346
  S      -3.713339      1.290634      4.065322
  C      -7.156107     -5.513718      3.194417
  C      -7.926861     -6.506111      3.844869
  C      -9.208185     -6.250642      4.287451
  C      -9.799321     -4.993086      4.082284
  C      -9.100393     -4.007601      3.414373
  C      -7.786680     -4.227377      2.934949
  C      -7.079688     -3.241246      2.141344
  O      -5.792576     -3.293727      2.048854
  C      -7.711117     -2.204808      1.335984
  F      -9.062545     -2.211002      1.317840
  S      -6.892480     -1.098631      0.449813
  C      -2.594773     -4.256651      5.497676
  C      -1.269377     -4.005618      5.907052
  C      -0.988163     -3.237788      7.028400
  C      -2.024337     -2.700420      7.799110
  C      -3.337698     -2.967886      7.454778
  C      -3.665240     -3.760964      6.336869
  C      -5.045549     -4.143218      6.067994
  O      -5.394269     -4.550888      4.887355
  C      -6.099787     -4.203113      7.059266
  F      -7.296657     -4.500531      6.472346
  S      -6.063651     -4.052619      8.689843
  H      -0.442535     -3.349412      0.874528
  H       1.274171     -1.743829      1.495142
  H       0.837516     -0.028586      3.255425
  H      -1.370254      0.054079      4.350963
  H      -7.475150     -7.468833      4.069109
  H      -9.752859     -7.024990      4.824223
  H     -10.799504     -4.791882      4.456891
  H      -9.559290     -3.034928      3.276379
  H      -0.440287     -4.362820      5.303564
  H       0.047647     -3.031656      7.289287
  H      -1.805746     -2.071607      8.659973
  H      -4.143778     -2.540400      8.040150
  N      -4.594233     -4.742061      1.032092
  H      -5.184263     -5.550352      0.812002
  H      -3.544461     -4.932698      0.583343
  H      -5.047841     -3.950429      0.530056
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.311184972316
  N      -2.937610     -3.481280      1.891708
  C      -2.836680     -4.040928      0.571247
  C      -2.418646     -5.656838      0.848623
  N      -3.297508     -6.213430      1.985603
  C      -4.324946     -7.212113      1.508479
  C      -5.480474     -7.190020      2.539825
  N      -5.889024     -5.785016      2.810159
  Mo     -4.404749     -4.327012      3.147172
  N      -2.862896     -4.957877      4.302870
  C      -1.791913     -5.836050      3.846053
  C      -2.425348     -6.893556      2.971809
  H      -1.301179     -6.325433      4.698312
  H      -1.031210     -5.254949      3.294071
  H      -3.041888     -7.551303      3.595664
  H      -1.663781     -7.507526      2.467590
  H      -6.334033     -7.752855      2.138315
  H      -5.148064     -7.668966      3.476811
  H      -4.731390     -6.918200      0.541240
  H      -3.864523     -8.202568      1.388140
  H      -2.143433     -3.481665     -0.079310
  H      -3.941923     -3.980528      0.040032
  H      -1.376628     -5.622534      1.179436
  H      -2.488274     -6.290151     -0.048283
  C      -1.937800     -2.584268      2.240774
  C      -0.655163     -2.598036      1.644029
  C       0.327294     -1.691135      2.010958
  C       0.071979     -0.720961      2.987455
  C      -1.179947     -0.661038      3.573925
  C      -2.202174     -1.564612      3.216840
  C      -3.524428     -1.470185      3.798921
  O      -4.240112     -2.560388      3.928994
  C      -4.163811     -0.259036      4.233586
  F      -5.376662     -0.523258      4.813847
  S      -3.712469      1.304891      4.038807
  C      -7.172262     -5.521644      3.194443
  C      -7.943015     -6.516808      3.844699
  C      -9.222465     -6.261990      4.294190
  C      -9.813801     -5.001148      4.098960
  C      -9.117307     -4.013547      3.433677
  C      -7.804069     -4.228577      2.943594
  C      -7.110485     -3.229949      2.155645
  O      -5.827366     -3.266351      2.038819
  C      -7.759990     -2.184063      1.363277
  F      -9.111713     -2.207084      1.363818
  S      -6.966441     -1.063926      0.478721
  C      -2.595194     -4.256970      5.484170
  C      -1.268759     -4.010067      5.892945
  C      -0.983501     -3.244629      7.016410
  C      -2.017466     -2.704889      7.788760
  C      -3.332866     -2.966949      7.442400
  C      -3.664440     -3.757933      6.323613
  C      -5.048544     -4.132447      6.058006
  O      -5.405311     -4.540494      4.879608
  C      -6.104824     -4.188482      7.053472
  F      -7.302428     -4.477306      6.463674
  S      -6.065673     -4.040456      8.682196
  H      -0.406525     -3.351760      0.901494
  H       1.309588     -1.750420      1.543991
  H       0.851526     -0.026196      3.294368
  H      -1.375124      0.065934      4.355308
  H      -7.490079     -7.481635      4.062503
  H      -9.765806     -7.039293      4.830665
  H     -10.812714     -4.799990      4.480636
  H      -9.577264     -3.039190      3.305280
  H      -0.440983     -4.370828      5.287746
  H       0.054808     -3.043627      7.277011
  H      -1.797036     -2.078916      8.653073
  H      -4.138052     -2.537391      8.029329
  N      -4.615188     -4.748110      1.009643
  H      -5.211762     -5.550018      0.789335
  H      -3.545914     -4.941293      0.564975
  H      -5.070910     -3.954752      0.513288
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.353764921335
  N      -2.918447     -3.472857      1.876156
  C      -2.799458     -4.022361      0.557325
  C      -2.405555     -5.671469      0.847557
  N      -3.289892     -6.228513      1.979539
  C      -4.320464     -7.231685      1.516893
  C      -5.480948     -7.193687      2.545815
  N      -5.906827     -5.791634      2.807414
  Mo     -4.415296     -4.324126      3.132788
  N      -2.860333     -4.957600      4.287625
  C      -1.787437     -5.834494      3.835273
  C      -2.417002     -6.899678      2.970417
  H      -1.296157     -6.316686      4.691819
  H      -1.025955     -5.256205      3.280544
  H      -3.033887     -7.554556      3.597530
  H      -1.653640     -7.516576      2.471226
  H      -6.331144     -7.766524      2.150066
  H      -5.145614     -7.661041      3.488029
  H      -4.722629     -6.956583      0.541837
  H      -3.860315     -8.224367      1.413655
  H      -2.089267     -3.466137     -0.075572
  H      -3.887043     -3.943982      0.003852
  H      -1.366749     -5.633124      1.187355
  H      -2.469014     -6.307362     -0.048145
  C      -1.920132     -2.580394      2.246900
  C      -0.628224     -2.601545      1.669333
  C       0.353294     -1.697866      2.048639
  C       0.086970     -0.723100      3.017891
  C      -1.174629     -0.657416      3.584752
  C      -2.195546     -1.558785      3.216431
  C      -3.524230     -1.458575      3.780385
  O      -4.243629     -2.546967      3.910955
  C      -4.167681     -0.244371      4.205151
  F      -5.385294     -0.506911      4.776445
  S      -3.710128      1.317280      4.011345
  C      -7.186448     -5.529167      3.193315
  C      -7.956419     -6.528274      3.841584
  C      -9.234027     -6.276159      4.297699
  C      -9.826148     -5.012876      4.113849
  C      -9.132302     -4.022033      3.452455
  C      -7.819765     -4.230995      2.952241
  C      -7.138709     -3.220021      2.171024
  O      -5.860232     -3.239442      2.030593
  C      -7.806171     -2.164855      1.391678
  F      -9.157746     -2.203950      1.407736
  S      -7.035728     -1.031168      0.510957
  C      -2.595659     -4.254707      5.469902
  C      -1.268222     -4.011471      5.878522
  C      -0.979313     -3.249371      7.004179
  C      -2.011031     -2.708117      7.778491
  C      -3.327796     -2.964671      7.430077
  C      -3.662918     -3.752930      6.310000
  C      -5.049379     -4.120171      6.047073
  O      -5.413508     -4.527839      4.871470
  C      -6.107382     -4.173753      7.046519
  F      -7.305486     -4.453842      6.454153
  S      -6.065018     -4.029652      8.673542
  H      -0.372960     -3.358462      0.931059
  H       1.342673     -1.762982      1.595429
  H       0.864586     -0.029036      3.334133
  H      -1.379809      0.075216      4.359119
  H      -7.501458     -7.494603      4.051867
  H      -9.775272     -7.057288      4.832542
  H     -10.823612     -4.813068      4.502349
  H      -9.593607     -3.046517      3.334582
  H      -0.441789     -4.374854      5.271846
  H       0.061003     -3.053499      7.264506
  H      -1.789015     -2.085982      8.646347
  H      -4.131928     -2.533843      8.018731
  N      -4.636983     -4.753796      0.987145
  H      -5.240828     -5.548738      0.767679
  H      -3.555202     -4.949126      0.549142
  H      -5.092860     -3.960079      0.496680
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.389360959744
  N      -2.901195     -3.466263      1.861712
  C      -2.766250     -4.006715      0.544637
  C      -2.398383     -5.685206      0.846970
  N      -3.283789     -6.240829      1.972975
  C      -4.317363     -7.246285      1.526022
  C      -5.481484     -7.194248      2.551625
  N      -5.922004     -5.796056      2.804135
  Mo     -4.424917     -4.320375      3.117775
  N      -2.857729     -4.953954      4.272651
  C      -1.782926     -5.829167      3.823759
  C      -2.409511     -6.902305      2.968533
  H      -1.290362     -6.303853      4.684124
  H      -1.021160     -5.253901      3.265758
  H      -3.026087     -7.553798      3.599890
  H      -1.645065     -7.522309      2.473895
  H      -6.328090     -7.776761      2.161270
  H      -5.144271     -7.651104      3.498700
  H      -4.714234     -6.988705      0.543382
  H      -3.858898     -8.241498      1.439914
  H      -2.038910     -3.455268     -0.070531
  H      -3.827074     -3.909064     -0.026549
  H      -1.362151     -5.642469      1.193667
  H      -2.457023     -6.323456     -0.047448
  C      -1.904265     -2.579657      2.253847
  C      -0.603463     -2.609306      1.696171
  C       0.377399     -1.709535      2.087784
  C       0.100996     -0.729643      3.049110
  C      -1.169501     -0.656881      3.595898
  C      -2.189142     -1.555377      3.216351
  C      -3.524074     -1.448912      3.761728
  O      -4.246491     -2.534411      3.892474
  C      -4.170978     -0.231337      4.176077
  F      -5.393263     -0.491015      4.738257
  S      -3.706570      1.327738      3.982988
  C      -7.198721     -5.535976      3.191301
  C      -7.967310     -6.540027      3.836116
  C      -9.243178     -6.292254      4.298566
  C      -9.836493     -5.027216      4.127152
  C      -9.145412     -4.032220      3.470571
  C      -7.833851     -4.234259      2.960824
  C      -7.164368     -3.211381      2.186975
  O      -5.890504     -3.213624      2.024354
  C      -7.849483     -2.147694      1.420807
  F      -9.200635     -2.202211      1.449320
  S      -7.100138     -1.000471      0.545661
  C      -2.595929     -4.249860      5.455351
  C      -1.267555     -4.009585      5.864240
  C      -0.975589     -3.251580      6.992179
  C      -2.005251     -2.709783      7.768809
  C      -3.322770     -2.961080      7.418381
  C      -3.660793     -3.746158      6.296551
  C      -5.048273     -4.107078      6.035514
  O      -5.418717     -4.513622      4.862840
  C      -6.107820     -4.159969      7.038646
  F      -7.306154     -4.431566      6.444019
  S      -6.062308     -4.021505      8.664238
  H      -0.341852     -3.369584      0.962740
  H       1.373362     -1.781361      1.648836
  H       0.876816     -0.036960      3.374348
  H      -1.384302      0.081848      4.362472
  H      -7.509793     -7.507353      4.038107
  H      -9.781737     -7.077873      4.830677
  H     -10.832377     -4.829760      4.522217
  H      -9.608249     -3.055968      3.363863
  H      -0.442318     -4.374472      5.256250
  H       0.066270     -3.060498      7.252260
  H      -1.781951     -2.092250      8.640260
  H      -4.125853     -2.529876      8.008893
  N      -4.659425     -4.758983      0.964502
  H      -5.271247     -5.546597      0.746712
  H      -3.572676     -4.955999      0.535757
  H      -5.113957     -3.965292      0.479585
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.419596582130
  N      -2.885895     -3.461511      1.848621
  C      -2.737059     -3.994291      0.532941
  C      -2.396382     -5.697623      0.845969
  N      -3.278942     -6.250323      1.965862
  C      -4.315459     -7.256357      1.535276
  C      -5.481885     -7.192437      2.557126
  N      -5.934425     -5.798528      2.800400
  Mo     -4.433495     -4.316007      3.102308
  N      -2.855030     -4.946980      4.258422
  C      -1.778308     -5.820121      3.811744
  C      -2.402640     -6.901378      2.966206
  H      -1.283652     -6.287202      4.675325
  H      -1.016847     -5.247905      3.249985
  H      -3.018218     -7.549096      3.602711
  H      -1.637714     -7.524502      2.475576
  H      -6.324680     -7.784349      2.171792
  H      -5.143619     -7.639994      3.508643
  H      -4.706258     -7.014998      0.545365
  H      -3.859890     -8.254340      1.466060
  H      -1.992203     -3.449258     -0.064612
  H      -3.764374     -3.876827     -0.051255
  H      -1.361966     -5.650266      1.197141
  H      -2.451535     -6.337821     -0.047267
  C      -1.890131     -2.582063      2.261463
  C      -0.580859     -2.621302      1.724156
  C       0.399680     -1.726083      2.127862
  C       0.114266     -0.740492      3.080726
  C      -1.164393     -0.659291      3.607284
  C      -2.182907     -1.554301      3.216626
  C      -3.523934     -1.441129      3.743191
  O      -4.248868     -2.523061      3.873828
  C      -4.173585     -0.219744      4.146627
  F      -5.400462     -0.475471      4.699567
  S      -3.701701      1.336439      3.953804
  C      -7.209116     -5.542013      3.188716
  C      -7.975853     -6.551800      3.828900
  C      -9.250152     -6.309557      4.297381
  C      -9.844976     -5.043267      4.139108
  C      -9.156766     -4.043443      3.488003
  C      -7.846413     -4.238122      2.969341
  C      -7.187559     -3.203987      2.203150
  O      -5.918021     -3.189467      2.020334
  C      -7.889534     -2.132836      1.450189
  F      -9.240086     -2.201974      1.487964
  S      -7.158964     -0.972042      0.582076
  C      -2.595906     -4.242489      5.441027
  C      -1.266678     -4.004179      5.850537
  C      -0.972441     -3.250772      6.980838
  C      -2.000463     -2.709527      7.760149
  C      -3.318216     -2.956230      7.407842
  C      -3.658339     -3.737885      6.283813
  C      -5.045621     -4.093912      6.023793
  O      -5.421099     -4.498653      4.853764
  C      -6.106566     -4.148155      7.030294
  F      -7.304881     -4.411798      6.433705
  S      -6.058030     -4.017088      8.654774
  H      -0.313305     -3.385184      0.996071
  H       1.401732     -1.805481      1.703514
  H       0.888589     -0.049844      3.414547
  H      -1.388282      0.085923      4.365412
  H      -7.515496     -7.519748      4.022117
  H      -9.785618     -7.100142      4.825895
  H     -10.839203     -4.848906      4.540481
  H      -9.621234     -3.066782      3.392849
  H      -0.442326     -4.369286      5.241298
  H       0.070533     -3.063740      7.240699
  H      -1.776229     -2.097061      8.635190
  H      -4.120438     -2.525633      8.000315
  N      -4.682490     -4.763532      0.941610
  H      -5.302847     -5.543641      0.726135
  H      -3.598498     -4.961670      0.524569
  H      -5.134608     -3.969486      0.461568
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.445527112101
  N      -2.872538     -3.458570      1.836985
  C      -2.711606     -3.985334      0.521870
  C      -2.398478     -5.708222      0.843655
  N      -3.275000     -6.257007      1.958204
  C      -4.314432     -7.262558      1.544244
  C      -5.481901     -7.188959      2.562319
  N      -5.944173     -5.799380      2.796326
  Mo     -4.441021     -4.311243      3.086475
  N      -2.852227     -4.936731      4.245290
  C      -1.773559     -5.807372      3.799409
  C      -2.396108     -6.896825      2.963523
  H      -1.275951     -6.266916      4.665502
  H      -1.013094     -5.238027      3.233435
  H      -3.009987     -7.540516      3.605948
  H      -1.631137     -7.522917      2.476357
  H      -6.320650     -7.790126      2.181714
  H      -5.143142     -7.628331      3.517855
  H      -4.698617     -7.036372      0.547459
  H      -3.862641     -8.263438      1.491564
  H      -1.948719     -3.448393     -0.058196
  H      -3.702060     -3.848085     -0.071358
  H      -1.365017     -5.656173      1.196652
  H      -2.451407     -6.349798     -0.048642
  C      -1.877650     -2.587512      2.269630
  C      -0.560319     -2.637522      1.753082
  C       0.420280     -1.747525      2.168646
  C       0.126974     -0.755622      3.112576
  C      -1.159200     -0.664509      3.618834
  C      -2.176870     -1.555392      3.217210
  C      -3.523820     -1.434987      3.724844
  O      -4.251033     -2.513006      3.855227
  C      -4.175388     -0.209294      4.116825
  F      -5.406810     -0.460025      4.660457
  S      -3.695340      1.343638      3.923584
  C      -7.217707     -5.547336      3.185863
  C      -7.982287     -6.563398      3.820479
  C      -9.255225     -6.327415      4.294666
  C      -9.851765     -5.060214      4.149977
  C      -9.166502     -4.055126      3.504825
  C      -7.857547     -4.242393      2.977856
  C      -7.208459     -3.197745      2.219426
  O      -5.942920     -3.167366      2.018793
  C      -7.926068     -2.120220      1.479627
  F      -9.275898     -2.203099      1.523519
  S      -7.211813     -0.945765      0.619950
  C      -2.595572     -4.232641      5.427353
  C      -1.265597     -3.995127      5.837709
  C      -0.969993     -3.246618      6.970453
  C      -1.996934     -2.707125      7.752789
  C      -3.314502     -2.950227      7.398814
  C      -3.655822     -3.728363      6.272189
  C      -5.041825     -4.081304      6.012289
  O      -5.420924     -4.483644      4.844297
  C      -6.104018     -4.139183      7.021763
  F      -7.302081     -4.395650      6.423416
  S      -6.052625     -4.017334      8.645467
  H      -0.287337     -3.405351      1.030828
  H       1.427980     -1.835409      1.759218
  H       0.900240     -0.067681      3.454596
  H      -1.391512      0.087573      4.367951
  H      -7.519080     -7.531744      4.004678
  H      -9.787384     -7.123267      4.818904
  H     -10.844300     -4.869462      4.557419
  H      -9.632575     -3.078260      3.421406
  H      -0.441730     -4.359065      5.227166
  H       0.073715     -3.062587      7.230116
  H      -1.772136     -2.099942      8.631366
  H      -4.116192     -2.521289      7.993333
  N      -4.706306     -4.767324      0.918273
  H      -5.335578     -5.539862      0.705596
  H      -3.632692     -4.965866      0.515188
  H      -5.155156     -3.972138      0.442381
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.467874324931
  N      -2.861077     -3.457447      1.826825
  C      -2.689276     -3.980031      0.511239
  C      -2.403277     -5.716352      0.839306
  N      -3.271559     -6.260879      1.950039
  C      -4.313854     -7.265507      1.552587
  C      -5.481260     -7.184395      2.567199
  N      -5.951496     -5.798964      2.792000
  Mo     -4.447577     -4.306296      3.070270
  N      -2.849415     -4.923313      4.233519
  C      -1.768757     -5.790953      3.786921
  C      -2.389642     -6.888586      2.960545
  H      -1.267291     -6.243165      4.654755
  H      -1.010070     -5.224049      3.216314
  H      -3.001167     -7.528186      3.609438
  H      -1.624828     -7.517304      2.476352
  H      -6.315702     -7.794794      2.191129
  H      -5.142285     -7.616525      3.526330
  H      -4.691153     -7.053718      0.549373
  H      -3.866304     -8.269243      1.516001
  H      -1.907695     -3.452958     -0.051267
  H      -3.643303     -3.823242     -0.088693
  H      -1.369906     -5.659807      1.191548
  H      -2.455046     -6.358539     -0.052451
  C      -1.866758     -2.595891      2.278258
  C      -0.541769     -2.658085      1.782880
  C       0.439347     -1.774056      2.210079
  C       0.139285     -0.775159      3.144559
  C      -1.153849     -0.672483      3.630390
  C      -2.171122     -1.558498      3.217969
  C      -3.523780     -1.430208      3.706599
  O      -4.253338     -2.504188      3.836797
  C      -4.176290     -0.199694      4.086477
  F      -5.412262     -0.444330      4.620816
  S      -3.687267      1.349570      3.891844
  C      -7.224615     -5.552060      3.182999
  C      -7.986870     -6.574691      3.811354
  C      -9.258626     -6.345303      4.291008
  C      -9.856998     -5.077428      4.160219
  C      -9.174764     -4.066837      3.521308
  C      -7.867390     -4.246937      2.986514
  C      -7.227335     -3.192527      2.235823
  O      -5.965481     -3.147597      2.019972
  C      -7.959057     -2.109548      1.509168
  F      -9.308070     -2.205319      1.556243
  S      -7.258753     -0.921240      0.659442
  C      -2.595036     -4.220389      5.414664
  C      -1.264445     -3.982424      5.825949
  C      -0.968437     -3.238931      6.961203
  C      -1.994938     -2.702437      7.746828
  C      -3.312002     -2.943175      7.391447
  C      -3.653556     -3.717814      6.261913
  C      -5.037329     -4.069765      6.001219
  O      -5.418580     -4.469200      4.834452
  C      -6.100580     -4.133689      7.013186
  F      -7.298200     -4.383929      6.413215
  S      -6.046447     -4.022857      8.636422
  H      -0.264009     -3.430373      1.066995
  H       1.452320     -1.871484      1.815981
  H       0.912056     -0.090660      3.494471
  H      -1.393771      0.086884      4.369969
  H      -7.521046     -7.543352      3.986449
  H      -9.787403     -7.146575      4.810471
  H     -10.847803     -4.890618      4.573602
  H      -9.642276     -3.089853      3.449698
  H      -0.440638     -4.343780      5.213939
  H       0.075661     -3.056630      7.220690
  H      -1.769956     -2.100526      8.628829
  H      -4.113587     -2.516962      7.988066
  N      -4.731034     -4.770251      0.894217
  H      -5.369371     -5.535247      0.684562
  H      -3.674815     -4.968261      0.507145
  H      -5.175845     -3.972959      0.421865
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.487199031392
  N      -2.851478     -3.458205      1.818106
  C      -2.669286     -3.978534      0.501125
  C      -2.409216     -5.721338      0.832377
  N      -3.268221     -6.261943      1.941369
  C      -4.313251     -7.265727      1.559927
  C      -5.479680     -7.179174      2.571683
  N      -5.956738     -5.797625      2.787483
  Mo     -4.453281     -4.301389      3.053658
  N      -2.846779     -4.906999      4.223299
  C      -1.764057     -5.771045      3.774424
  C      -2.383010     -6.876722      2.957214
  H      -1.257813     -6.216278      4.643164
  H      -1.008014     -5.205824      3.198855
  H      -2.991620     -7.512419      3.612791
  H      -1.618285     -7.507515      2.475581
  H      -6.309555     -7.798849      2.200053
  H      -5.140467     -7.604833      3.533969
  H      -4.683758     -7.067718      0.550765
  H      -3.869938     -8.272083      1.538849
  H      -1.868342     -3.463151     -0.043491
  H      -3.590639     -3.802170     -0.105288
  H      -1.375176     -5.660983      1.181702
  H      -2.460612     -6.363170     -0.059384
  C      -1.857424     -2.607035      2.287256
  C      -0.525187     -2.683151      1.813558
  C       0.456999     -1.805913      2.252166
  C       0.151307     -0.799230      3.176536
  C      -1.148303     -0.683152      3.641672
  C      -2.165779     -1.563451      3.218662
  C      -3.523871     -1.426528      3.688272
  O      -4.256121     -2.496470      3.818613
  C      -4.176205     -0.190703      4.055257
  F      -5.416785     -0.428009      4.580420
  S      -3.677266      1.354414      3.857908
  C      -7.229995     -5.556333      3.180360
  C      -7.989847     -6.585606      3.802030
  C      -9.260519     -6.362843      4.287088
  C      -9.860779     -5.094475      4.170486
  C      -9.181680     -4.078292      3.537898
  C      -7.876112     -4.251671      2.995551
  C      -7.244487     -3.188200      2.252499
  O      -5.986010     -3.130360      2.024093
  C      -7.988627     -2.100408      1.539080
  F      -9.336749     -2.208332      1.586744
  S      -7.300174     -0.897943      0.701003
  C      -2.594507     -4.205919      5.403230
  C      -1.263461     -3.966269      5.815435
  C      -0.968055     -3.227684      6.953213
  C      -1.994814     -2.695355      7.742207
  C      -3.311123     -2.935122      7.385680
  C      -3.651900     -3.706454      6.253052
  C      -5.032603     -4.059677      5.990636
  O      -5.414533     -4.455829      4.824224
  C      -6.096679     -4.131984      7.004541
  F      -7.293723     -4.377029      6.403053
  S      -6.039847     -4.033763      8.627543
  H      -0.243433     -3.460637      1.104731
  H       1.474913     -1.914136      1.873955
  H       0.924230     -0.118967      3.534111
  H      -1.394859      0.083980      4.371198
  H      -7.521818     -7.554621      3.968015
  H      -9.785913     -7.169574      4.801465
  H     -10.849771     -4.911808      4.589856
  H      -9.650336     -3.101175      3.478121
  H      -0.439297     -4.323711      5.201774
  H       0.076117     -3.045708      7.212581
  H      -1.770049     -2.098445      8.627429
  H      -4.113092     -2.512603      7.984360
  N      -4.756814     -4.772158      0.869240
  H      -5.404137     -5.529709      0.662466
  H      -3.723620     -4.968583      0.499853
  H      -5.196813     -3.971696      0.400088
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.503943274227
  N      -2.843769     -3.460892      1.810677
  C      -2.650915     -3.981078      0.491698
  C      -2.414769     -5.722714      0.822553
  N      -3.264616     -6.260281      1.932166
  C      -4.312117     -7.263703      1.565893
  C      -5.476882     -7.173592      2.575616
  N      -5.960274     -5.795662      2.782811
  Mo     -4.458254     -4.296737      3.036604
  N      -2.844577     -4.888303      4.214792
  C      -1.759684     -5.748093      3.762156
  C      -2.376060     -6.861493      2.953430
  H      -1.247814     -6.186870      4.630938
  H      -1.007180     -5.183460      3.181509
  H      -2.981378     -7.493744      3.615490
  H      -1.611064     -7.493632      2.474090
  H      -6.301957     -7.802598      2.208394
  H      -5.137157     -7.593373      3.540608
  H      -4.676299     -7.078972      0.551345
  H      -3.872595     -8.272271      1.559587
  H      -1.830152     -3.479188     -0.034650
  H      -3.545197     -3.784670     -0.122644
  H      -1.379483     -5.659957      1.167504
  H      -2.466320     -6.363164     -0.069808
  C      -1.849652     -2.620575      2.296367
  C      -0.510645     -2.712524      1.844885
  C       0.473208     -1.842893      2.294634
  C       0.162995     -0.827612      3.208148
  C      -1.142614     -0.696279      3.652249
  C      -2.160975     -1.569970      3.218896
  C      -3.524146     -1.423711      3.669634
  O      -4.259615     -2.489665      3.800704
  C      -4.175090     -0.182173      4.022862
  F      -5.420352     -0.410809      4.539104
  S      -3.665269      1.358294      3.821147
  C      -7.234033     -5.560302      3.178138
  C      -7.991461     -6.596139      3.792887
  C      -9.261064     -6.379826      4.283496
  C      -9.863202     -5.111111      4.181434
  C      -9.187352     -4.089331      3.555116
  C      -7.883878     -4.256534      3.005270
  C      -7.260156     -3.184576      2.269779
  O      -6.004726     -3.115743      2.031410
  C      -8.014842     -2.092200      1.569900
  F      -9.362031     -2.211579      1.615875
  S      -7.336317     -0.875141      0.745520
  C      -2.594272     -4.189643      5.393305
  C      -1.262954     -3.947257      5.806434
  C      -0.969161     -3.213210      6.946646
  C      -1.996890     -2.685885      7.738786
  C      -3.312243     -2.926072      7.381321
  C      -3.651235     -3.694501      6.245583
  C      -5.028118     -4.051240      5.980498
  O      -5.409285     -4.443876      4.813624
  C      -6.092799     -4.133972      6.995717
  F      -7.289175     -4.374819      6.392790
  S      -6.033275     -4.049643      8.618631
  H      -0.225764     -3.496091      1.143918
  H       1.495731     -1.963256      1.932952
  H       0.936732     -0.152391      3.573226
  H      -1.394683      0.079081      4.371292
  H      -7.521766     -7.565655      3.949737
  H      -9.783124     -7.191989      4.792582
  H     -10.850241     -4.932704      4.607013
  H      -9.656736     -3.111977      3.507221
  H      -0.438047     -4.299722      5.191044
  H       0.074790     -3.030180      7.206034
  H      -1.772745     -2.093395      8.626871
  H      -4.115086     -2.507939      7.981857
  N      -4.783850     -4.772852      0.843330
  H      -5.439905     -5.523078      0.638944
  H      -3.776882     -4.966809      0.492552
  H      -5.218060     -3.968095      0.377325
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.518403170307
  N      -2.837887     -3.465483      1.804321
  C      -2.633439     -3.988120      0.483233
  C      -2.418528     -5.720470      0.809965
  N      -3.260429     -6.256178      1.922482
  C      -4.310076     -7.259913      1.570086
  C      -5.472759     -7.167852      2.578646
  N      -5.962446     -5.793328      2.777933
  Mo     -4.462530     -4.292606      3.019125
  N      -2.843171     -4.868206      4.208311
  C      -1.756028     -5.723243      3.750801
  C      -2.368935     -6.843628      2.949312
  H      -1.238038     -6.156381      4.618842
  H      -1.007758     -5.158095      3.165427
  H      -2.971076     -7.473060      3.617062
  H      -1.603052     -7.476372      2.472318
  H      -6.292876     -7.806120      2.215748
  H      -5.132141     -7.582290      3.545885
  H      -4.668578     -7.087936      0.550786
  H      -3.873638     -8.270197      1.577675
  H      -1.792748     -3.501512     -0.024737
  H      -3.506061     -3.771049     -0.141127
  H      -1.381646     -5.657714      1.150017
  H      -2.470597     -6.358641     -0.083515
  C      -1.843309     -2.635773      2.304999
  C      -0.498195     -2.744915      1.875783
  C       0.487785     -1.883381      2.336194
  C       0.174080     -0.859008      3.238357
  C      -1.136946     -0.711137      3.661411
  C      -2.156746     -1.577561      3.218091
  C      -3.524528     -1.421654      3.650588
  O      -4.263804     -2.483664      3.783157
  C      -4.172907     -0.174183      3.989341
  F      -5.422811     -0.392890      4.497217
  S      -3.651471      1.361188      3.781346
  C      -7.236893     -5.564102      3.176394
  C      -7.991961     -6.606350      3.784022
  C      -9.260419     -6.396174      4.280521
  C      -9.864306     -5.127203      4.193551
  C      -9.191759     -4.099838      3.573450
  C      -7.890738     -4.261455      3.015969
  C      -7.274360     -3.181409      2.288128
  O      -6.021587     -3.103716      2.042258
  C      -8.037495     -2.084134      1.602482
  F      -9.383762     -2.214240      1.644678
  S      -7.367005     -0.851804      0.794483
  C      -2.594726     -4.172430      5.385289
  C      -1.263323     -3.926699      5.799499
  C      -0.972103     -3.196430      6.941835
  C      -2.001476     -2.674213      7.736397
  C      -3.315718     -2.915994      7.378101
  C      -3.651972     -3.682263      6.239492
  C      -5.024365     -4.044508      5.970735
  O      -5.403363     -4.433562      4.802695
  C      -6.089516     -4.139115      6.986591
  F      -7.285176     -4.376527      6.382271
  S      -6.027297     -4.069548      8.609470
  H      -0.210977     -3.535229      1.183288
  H       1.514477     -2.016822      1.991362
  H       0.949150     -0.189416      3.610728
  H      -1.393376      0.072672      4.369841
  H      -7.521247     -7.576627      3.931558
  H      -9.779275     -7.213733      4.784096
  H     -10.849191     -4.953106      4.625715
  H      -9.661306     -3.122049      3.537602
  H      -0.437328     -4.273671      5.182573
  H       0.071360     -3.011196      7.201511
  H      -1.778310     -2.085101      8.626704
  H      -4.119875     -2.502362      7.979979
  N      -4.812477     -4.772124      0.816711
  H      -5.476931     -5.515062      0.613981
  H      -3.831375     -4.963300      0.484401
  H      -5.239475     -3.961809      0.354001
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.530846043342
  N      -2.833617     -3.471725      1.798748
  C      -2.616210     -4.000075      0.476075
  C      -2.419435     -5.715063      0.795281
  N      -3.255507     -6.250055      1.912462
  C      -4.306969     -7.254728      1.572087
  C      -5.467433     -7.162068      2.580231
  N      -5.963545     -5.790803      2.772714
  Mo     -4.466065     -4.289196      3.001253
  N      -2.842970     -4.847984      4.204207
  C      -1.753603     -5.698130      3.741310
  C      -2.362109     -6.824228      2.945152
  H      -1.229536     -6.126804      4.607983
  H      -1.009863     -5.131572      3.152103
  H      -2.961889     -7.451550      3.617131
  H      -1.594555     -7.456991      2.470976
  H      -6.282574     -7.809264      2.221379
  H      -5.125588     -7.571809      3.549234
  H      -4.660401     -7.094739      0.548680
  H      -3.872840     -8.266232      1.592509
  H      -1.755890     -3.530493     -0.013911
  H      -3.470922     -3.761993     -0.160064
  H      -1.380822     -5.655898      1.130935
  H      -2.472355     -6.350409     -0.099632
  C      -1.838078     -2.651612      2.312323
  C      -0.487695     -2.778435      1.904728
  C       0.500650     -1.925004      2.375020
  C       0.184353     -0.891492      3.265754
  C      -1.131399     -0.726670      3.668303
  C      -2.152968     -1.585546      3.215556
  C      -3.524814     -1.420258      3.631122
  O      -4.268431     -2.478325      3.766060
  C      -4.169671     -0.166859      3.954974
  F      -5.423974     -0.374675      4.455410
  S      -3.636435      1.363121      3.738579
  C      -7.238703     -5.567886      3.175060
  C      -7.991495     -6.616447      3.775246
  C      -9.258658     -6.412103      4.278156
  C      -9.864062     -5.142925      4.207138
  C      -9.194820     -4.109912      3.593332
  C      -7.896664     -4.266431      3.027926
  C      -7.286993     -3.178457      2.308151
  O      -6.036421     -3.094082      2.056991
  C      -8.056317     -2.075377      1.638027
  F      -9.401723     -2.215462      1.674423
  S      -7.391976     -0.826714      0.850044
  C      -2.596314     -4.155376      5.379587
  C      -1.265005     -3.906232      5.795262
  C      -0.977241     -3.178498      6.939119
  C      -2.008872     -2.660525      7.734793
  C      -3.321873     -2.904747      7.375633
  C      -3.654518     -3.670021      6.234708
  C      -5.021819     -4.039354      5.961221
  O      -5.397291     -4.424943      4.791475
  C      -6.087425     -4.146503      6.977035
  F      -7.282371     -4.380873      6.371368
  S      -6.022467     -4.092114      8.599851
  H      -0.198753     -3.575827      1.220998
  H       1.530959     -2.071827      2.046828
  H       0.961058     -0.227789      3.645082
  H      -1.391089      0.065450      4.366394
  H      -7.520439     -7.587813      3.913014
  H      -9.774490     -7.235090      4.775864
  H     -10.846536     -4.973210      4.646393
  H      -9.663870     -3.131441      3.569908
  H      -0.437610     -4.247872      5.177330
  H       0.065496     -2.990235      7.199494
  H      -1.786988     -2.073210      8.626340
  H      -4.127715     -2.494985      7.977945
  N      -4.843047     -4.769596      0.789699
  H      -5.515569     -5.505133      0.587798
  H      -3.883213     -4.958618      0.474532
  H      -5.260779     -3.952277      0.330604
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.541685319820
  N      -2.830664     -3.479033      1.793581
  C      -2.598959     -4.016668      0.470511
  C      -2.417376     -5.707183      0.779638
  N      -3.250153     -6.242180      1.902425
  C      -4.302947     -7.248248      1.571769
  C      -5.461228     -7.156175      2.580036
  N      -5.963847     -5.788053      2.767137
  Mo     -4.468857     -4.286291      2.983106
  N      -2.844198     -4.828626      4.202457
  C      -1.752775     -5.674046      3.734259
  C      -2.356224     -6.804306      2.941196
  H      -1.223079     -6.099655      4.599100
  H      -1.013439     -5.105207      3.142467
  H      -2.954905     -7.430260      3.615552
  H      -1.586238     -7.436705      2.470520
  H      -6.271540     -7.811660      2.224725
  H      -5.117915     -7.562010      3.550303
  H      -4.651898     -7.099050      0.544918
  H      -3.870290     -8.260491      1.603629
  H      -1.719712     -3.565686     -0.002406
  H      -3.437656     -3.757646     -0.178442
  H      -1.377035     -5.656237      1.112185
  H      -2.471635     -6.339745     -0.116712
  C      -1.833548     -2.667231      2.317642
  C      -0.478835     -2.811908      1.930691
  C       0.512089     -1.966350      2.409887
  C       0.194091     -0.923841      3.289344
  C      -1.125623     -0.742128      3.672343
  C      -2.149227     -1.593339      3.210809
  C      -3.524550     -1.419138      3.611351
  O      -4.272991     -2.473142      3.749517
  C      -4.165060     -0.159930      3.920409
  F      -5.423250     -0.356207      4.414845
  S      -3.620277      1.364510      3.693691
  C      -7.239584     -5.571829      3.174069
  C      -7.989963     -6.626854      3.766304
  C      -9.255720     -6.428435      4.276059
  C      -9.862616     -5.159234      4.221905
  C      -9.196781     -4.120258      3.614719
  C      -7.901766     -4.271679      3.041231
  C      -7.298111     -3.175655      2.330278
  O      -6.049183     -3.086488      2.075588
  C      -8.071544     -2.065648      1.677371
  F      -9.416161     -2.215210      1.706123
  S      -7.411860     -0.799403      0.913462
  C      -2.599293     -4.139138      5.376191
  C      -1.268254     -3.886831      5.793811
  C      -0.984722     -3.160088      6.938426
  C      -2.019135     -2.644918      7.733634
  C      -3.330788     -2.892127      7.373474
  C      -3.659063     -3.657769      6.230972
  C      -5.020823     -4.035248      5.951836
  O      -5.391630     -4.417625      4.780083
  C      -6.086912     -4.154889      6.967082
  F      -7.281202     -4.386371      6.360213
  S      -6.018976     -4.115709      8.589731
  H      -0.188775     -3.616637      1.255899
  H       1.545406     -2.126578      2.097793
  H       0.972646     -0.266117      3.675205
  H      -1.387452      0.057929      4.360680
  H      -7.518962     -7.599535      3.893639
  H      -9.768614     -7.257076      4.767327
  H     -10.842524     -4.994264      4.668614
  H      -9.664927     -3.141006      3.604125
  H      -0.439207     -4.223726      5.175537
  H       0.057080     -2.968242      7.199967
  H      -1.798800     -2.057549      8.625300
  H      -4.138615     -2.485112      7.975096
  N      -4.875545     -4.764540      0.762593
  H      -5.555848     -5.492518      0.560626
  H      -3.929196     -4.953010      0.462404
  H      -5.281596     -3.938772      0.307594
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.551315994880
  N      -2.828352     -3.486826      1.788549
  C      -2.581554     -4.037079      0.466811
  C      -2.413388     -5.698056      0.764532
  N      -3.245335     -6.232919      1.893078
  C      -4.298757     -7.240502      1.569524
  C      -5.454853     -7.150029      2.578193
  N      -5.963626     -5.784831      2.761447
  Mo     -4.470857     -4.283337      2.965058
  N      -2.846712     -4.811042      4.202788
  C      -1.753728     -5.652510      3.730044
  C      -2.352364     -6.785178      2.937940
  H      -1.219299     -6.076630      4.592799
  H      -1.018073     -5.080994      3.137056
  H      -2.951526     -7.410276      3.612765
  H      -1.579563     -7.417304      2.471447
  H      -6.260723     -7.812758      2.225679
  H      -5.109998     -7.552934      3.549232
  H      -4.643848     -7.100320      0.539940
  H      -3.866737     -8.253070      1.610945
  H      -1.684240     -3.606152      0.009893
  H      -3.404861     -3.757215     -0.195499
  H      -1.371412     -5.660946      1.095548
  H      -2.469952     -6.328510     -0.132957
  C      -1.828900     -2.682008      2.320457
  C      -0.470851     -2.843675      1.952443
  C       0.522700     -2.005303      2.439287
  C       0.203853     -0.954375      3.308138
  C      -1.118951     -0.756772      3.673290
  C      -2.144635     -1.600593      3.203803
  C      -3.522728     -1.417858      3.591976
  O      -4.276499     -2.467423      3.733955
  C      -4.158034     -0.153014      3.887402
  F      -5.419219     -0.337503      4.378058
  S      -3.602264      1.365888      3.649170
  C      -7.239675     -5.576047      3.173402
  C      -7.987107     -6.638081      3.756955
  C      -9.251570     -6.446380      4.273443
  C      -9.860426     -5.177626      4.236659
  C      -9.198268     -4.132012      3.636776
  C      -7.906257     -4.277524      3.055619
  C      -7.307771     -3.173134      2.354482
  O      -6.059740     -3.080495      2.097515
  C      -8.083667     -2.055434      1.720282
  F      -9.427539     -2.214437      1.739761
  S      -7.427876     -0.770623      0.983977
  C      -2.603566     -4.124168      5.374843
  C      -1.272981     -3.869201      5.795029
  C      -0.994343     -3.141785      6.939600
  C      -2.031947     -2.627641      7.732677
  C      -3.342147     -2.878029      7.371228
  C      -3.665459     -3.645366      6.227948
  C      -5.021537     -4.031257      5.942577
  O      -5.386959     -4.410719      4.768819
  C      -6.088163     -4.162615      6.956981
  F      -7.281904     -4.391146      6.349179
  S      -6.016802     -4.138325      8.579295
  H      -0.180112     -3.655519      1.286305
  H       1.558354     -2.178217      2.142007
  H       0.984272     -0.302312      3.699856
  H      -1.381960      0.050543      4.352820
  H      -7.516015     -7.612030      3.873205
  H      -9.761424     -7.281178      4.757426
  H     -10.837936     -5.018275      4.690620
  H      -9.665712     -3.152221      3.639141
  H      -0.442083     -4.202309      5.177181
  H       0.046354     -2.946113      7.202849
  H      -1.813418     -2.038369      8.623379
  H      -4.152198     -2.472336      7.970930
  N      -4.909282     -4.756103      0.735624
  H      -5.597147     -5.476383      0.532645
  H      -3.968262     -4.946334      0.448256
  H      -5.301206     -3.920767      0.285362
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.559861337622
  N      -2.825659     -3.494455      1.783336
  C      -2.563836     -4.060234      0.465065
  C      -2.409117     -5.689667      0.751584
  N      -3.242338     -6.222828      1.885321
  C      -4.295541     -7.231608      1.565940
  C      -5.449209     -7.143666      2.575020
  N      -5.962981     -5.780995      2.755976
  Mo     -4.471877     -4.279651      2.947532
  N      -2.850080     -4.796001      4.204838
  C      -1.756508     -5.635128      3.728803
  C      -2.351862     -6.768339      2.936087
  H      -1.218519     -6.059392      4.589404
  H      -1.023245     -5.061519      3.135595
  H      -2.953323     -7.392553      3.609732
  H      -1.576547     -7.400995      2.474322
  H      -6.251344     -7.812068      2.224292
  H      -5.102995     -7.544906      3.546331
  H      -4.637493     -7.097971      0.534359
  H      -3.863426     -8.244214      1.614430
  H      -1.649290     -3.650815      0.023217
  H      -3.371352     -3.759554     -0.210957
  H      -1.365787     -5.673050      1.082518
  H      -2.469819     -6.319252     -0.146386
  C      -1.823128     -2.695274      2.320385
  C      -0.462583     -2.871529      1.968859
  C       0.533279     -2.039060      2.461895
  C       0.214193     -0.980895      3.321490
  C      -1.110842     -0.769651      3.671251
  C      -2.138281     -1.606907      3.194756
  C      -3.518290     -1.415947      3.573943
  O      -4.277848     -2.460465      3.719829
  C      -4.147699     -0.145697      3.858039
  F      -5.410627     -0.318832      4.347743
  S      -3.582202      1.367936      3.607745
  C      -7.239059     -5.580701      3.173103
  C      -7.982691     -6.650638      3.747087
  C      -9.246267     -6.467107      4.269443
  C      -9.858081     -5.199543      4.249860
  C      -9.200031     -4.146358      3.658327
  C      -7.910392     -4.284386      3.070650
  C      -7.316134     -3.171304      2.380504
  O      -6.068151     -3.075702      2.122119
  C      -8.093296     -2.045615      1.766107
  F      -9.436434     -2.214426      1.774621
  S      -7.441307     -0.741387      1.060634
  C      -2.608696     -4.110814      5.375156
  C      -1.278768     -3.854186      5.798876
  C      -1.005547     -3.124405      6.942592
  C      -2.046593     -2.609039      7.731703
  C      -3.355234     -2.862289      7.368396
  C      -3.673178     -3.632534      6.225165
  C      -5.023807     -4.026240      5.933410
  O      -5.383674     -4.403182      4.757983
  C      -6.091074     -4.167828      6.946999
  F      -7.284431     -4.392944      6.338593
  S      -6.015751     -4.157841      8.568769
  H      -0.171049     -3.689519      1.310488
  H       1.570624     -2.222938      2.177320
  H       0.996169     -0.333635      3.718172
  H      -1.374492      0.043865      4.343267
  H      -7.510827     -7.625474      3.851817
  H      -9.752820     -7.308764      4.745048
  H     -10.833758     -5.047139      4.710142
  H      -9.667687     -3.166645      3.673369
  H      -0.445822     -4.185093      5.182535
  H       0.033913     -2.925196      7.208281
  H      -1.830141     -2.016147      8.620441
  H      -4.167697     -2.456186      7.964785
  N      -4.942905     -4.743414      0.708794
  H      -5.638096     -5.455940      0.503972
  H      -4.001188     -4.938256      0.432757
  H      -5.318223     -3.897895      0.263866
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.567284688798
  N      -2.821581     -3.500959      1.777533
  C      -2.545654     -4.084554      0.465002
  C      -2.406004     -5.684354      0.742083
  N      -3.242157     -6.212535      1.879868
  C      -4.294344     -7.221828      1.561409
  C      -5.445022     -7.137488      2.570710
  N      -5.961692     -5.776798      2.750939
  Mo     -4.471661     -4.274670      2.930805
  N      -2.853831     -4.783800      4.208224
  C      -1.761013     -5.622860      3.730426
  C      -2.355725     -6.754864      2.936350
  H      -1.220740     -6.048679      4.588986
  H      -1.028511     -5.048713      3.137241
  H      -2.961361     -7.377438      3.607735
  H      -1.578981     -7.389602      2.479649
  H      -6.244460     -7.809452      2.220457
  H      -5.097941     -7.538752      3.541749
  H      -4.634072     -7.091451      0.528570
  H      -3.861590     -8.234343      1.613770
  H      -1.614753     -3.697872      0.037472
  H      -3.335992     -3.763528     -0.224952
  H      -1.361951     -5.695239      1.073888
  H      -2.473715     -6.314570     -0.155366
  C      -1.815724     -2.706166      2.317411
  C      -0.453276     -2.893864      1.979787
  C       0.544324     -2.065821      2.477659
  C       0.225372     -1.001863      3.329712
  C      -1.101212     -0.779850      3.666788
  C      -2.129872     -1.611672      3.184145
  C      -3.510856     -1.412918      3.558004
  O      -4.276416     -2.451803      3.707303
  C      -4.134057     -0.137528      3.833838
  F      -5.397234     -0.300506      4.325664
  S      -3.560899      1.371353      3.571308
  C      -7.237686     -5.586062      3.173257
  C      -7.976615     -6.664824      3.736968
  C      -9.239954     -6.491154      4.263676
  C      -9.856095     -5.225688      4.260287
  C      -9.202689     -4.164091      3.678234
  C      -7.914431     -4.292746      3.085810
  C      -7.323657     -3.170880      2.407889
  O      -6.075076     -3.071949      2.148794
  C      -8.101296     -2.037188      1.814044
  F      -9.443646     -2.216340      1.809278
  S      -7.453356     -0.712719      1.142851
  C      -2.614090     -4.099112      5.376563
  C      -1.285020     -3.842386      5.805016
  C      -1.017428     -3.108687      6.947068
  C      -2.061908     -2.589451      7.730339
  C      -3.368937     -2.844701      7.364394
  C      -3.681378     -3.618884      6.222027
  C      -5.027071     -4.019211      5.924199
  O      -5.381797     -4.394282      4.747708
  C      -6.095077     -4.169063      6.937316
  F      -7.288287     -4.389884      6.328674
  S      -6.015227     -4.172673      8.558330
  H      -0.160373     -3.716669      1.327991
  H       1.582831     -2.258511      2.203357
  H       1.008418     -0.358323      3.730449
  H      -1.365368      0.038611      4.332700
  H      -7.502995     -7.639895      3.830214
  H      -9.742869     -7.340324      4.729825
  H     -10.830797     -5.081667      4.725334
  H      -9.672009     -3.185332      3.705165
  H      -0.449891     -4.173301      5.191533
  H       0.020743     -2.906863      7.216015
  H      -1.847729     -1.991524      8.616244
  H      -4.183908     -2.436283      7.956011
  N      -4.974547     -4.725808      0.681898
  H      -5.676616     -5.430742      0.474816
  H      -4.029570     -4.928413      0.416515
  H      -5.330767     -3.870010      0.242488
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.573646061921
  N      -2.815469     -3.505534      1.770973
  C      -2.526853     -4.108204      0.466149
  C      -2.404581     -5.683801      0.736392
  N      -3.245123     -6.202692      1.876957
  C      -4.295684     -7.211643      1.556046
  C      -5.442695     -7.132232      2.565310
  N      -5.959489     -5.772869      2.746347
  Mo     -4.470081     -4.268357      2.915049
  N      -2.857705     -4.774349      4.212595
  C      -1.767141     -5.615890      3.734635
  C      -2.364311     -6.745216      2.939172
  H      -1.225910     -6.044249      4.591489
  H      -1.033677     -5.043398      3.141173
  H      -2.975869     -7.364738      3.607875
  H      -1.587837     -7.384073      2.487615
  H      -6.240673     -7.805309      2.213951
  H      -5.095567     -7.535600      3.535500
  H      -4.634262     -7.080527      0.522712
  H      -3.861922     -8.224073      1.608475
  H      -1.580691     -3.744867      0.052203
  H      -3.298229     -3.768219     -0.237810
  H      -1.360863     -5.728164      1.069267
  H      -2.482877     -6.315680     -0.159545
  C      -1.806812     -2.713979      2.312192
  C      -0.442846     -2.910066      1.986111
  C       0.555848     -2.085142      2.487695
  C       0.237220     -1.016710      3.333856
  C      -1.090463     -0.786751      3.660789
  C      -2.119807     -1.614348      3.172809
  C      -3.500828     -1.408654      3.544713
  O      -4.272250     -2.441630      3.696340
  C      -4.117830     -0.128457      3.815825
  F      -5.379567     -0.283017      4.313037
  S      -3.539417      1.376292      3.541270
  C      -7.235480     -5.592340      3.173915
  C      -7.968979     -6.680402      3.727371
  C      -9.232807     -6.517934      4.256656
  C      -9.854773     -5.255495      4.267496
  C      -9.206535     -4.185135      3.695558
  C      -7.918562     -4.302917      3.100501
  C      -7.330892     -3.172581      2.435738
  O      -6.081434     -3.069515      2.176807
  C      -8.108623     -2.031147      1.862512
  F      -9.450006     -2.221159      1.841424
  S      -7.465159     -0.685955      1.228804
  C      -2.619261     -4.088894      5.378430
  C      -1.291185     -3.833901      5.812676
  C      -1.028985     -3.095025      6.952271
  C      -2.076583     -2.569251      7.728113
  C      -3.382062     -2.825285      7.358811
  C      -3.689231     -3.604217      6.218065
  C      -5.030640     -4.009765      5.914828
  O      -5.381119     -4.383974      4.738007
  C      -6.099364     -4.165672      6.928086
  F      -7.292779     -4.381096      6.319694
  S      -6.014374     -4.181987      8.548155
  H      -0.147947     -3.736433      1.339736
  H       1.595125     -2.284612      2.221359
  H       1.020840     -0.375843      3.737798
  H      -1.355233      0.035478      4.321852
  H      -7.492630     -7.654948      3.809952
  H      -9.731723     -7.374901      4.712813
  H     -10.829426     -5.120939      4.735453
  H      -9.679101     -3.208224      3.732953
  H      -0.453889     -4.167304      5.203390
  H       0.007956     -2.891952      7.225127
  H      -1.864663     -1.965332      8.610500
  H      -4.199466     -2.412712      7.944387
  N      -5.002528     -4.703269      0.654885
  H      -5.710783     -5.401091      0.445697
  H      -4.054702     -4.916682      0.399840
  H      -5.337504     -3.837461      0.220616
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.579131443683
  N      -2.807265     -3.508028      1.763849
  C      -2.507506     -4.129714      0.468060
  C      -2.404700     -5.688150      0.733886
  N      -3.250998     -6.193634      1.876328
  C      -4.299223     -7.201701      1.549929
  C      -5.442240     -7.128632      2.558821
  N      -5.956405     -5.769858      2.741987
  Mo     -4.467373     -4.261112      2.900384
  N      -2.861690     -4.767222      4.217479
  C      -1.774725     -5.613311      3.740650
  C      -2.377129     -6.738987      2.944323
  H      -1.233591     -6.044646      4.596213
  H      -1.039027     -5.044464      3.146314
  H      -2.995830     -7.353857      3.610518
  H      -1.602803     -7.383892      2.497635
  H      -6.239894     -7.800477      2.204668
  H      -5.096183     -7.536184      3.527675
  H      -4.637534     -7.065792      0.516906
  H      -3.863932     -8.213986      1.598510
  H      -1.547464     -3.789554      0.066797
  H      -3.258624     -3.773026     -0.249863
  H      -1.362700     -5.769829      1.067342
  H      -2.497262     -6.321627     -0.160005
  C      -1.796807     -2.718802      2.305852
  C      -0.431500     -2.921049      1.989624
  C       0.567734     -2.098319      2.494123
  C       0.249479     -1.026252      3.335499
  C      -1.079044     -0.790492      3.654170
  C      -2.108733     -1.614910      3.161627
  C      -3.489013     -1.403409      3.534122
  O      -4.265950     -2.430509      3.686696
  C      -4.100029     -0.118796      3.804062
  F      -5.358685     -0.266923      4.309660
  S      -3.518787      1.382448      3.517816
  C      -7.232582     -5.599653      3.174927
  C      -7.960055     -6.696858      3.719145
  C      -9.224973     -6.546330      4.249451
  C      -9.854217     -5.287779      4.271811
  C      -9.211634     -4.208844      3.709749
  C      -7.923005     -4.314988      3.114104
  C      -7.338288     -3.176757      2.462923
  O      -6.087931     -3.068897      2.205332
  C      -8.115953     -2.028020      1.909641
  F      -9.456045     -2.229113      1.869088
  S      -7.477364     -0.662151      1.316077
  C      -2.623961     -4.079769      5.380124
  C      -1.296916     -3.828200      5.820803
  C      -1.039476     -3.083301      6.957263
  C      -2.089641     -2.548781      7.724638
  C      -3.393751     -2.804317      7.351555
  C      -3.696246     -3.588563      6.213067
  C      -5.034086     -3.998024      5.905320
  O      -5.381551     -4.372710      4.728966
  C      -6.103314     -4.157663      6.919516
  F      -7.297416     -4.366650      6.312052
  S      -6.012489     -4.185480      8.538502
  H      -0.134173     -3.750157      1.347946
  H       1.607537     -2.303130      2.234087
  H       1.033292     -0.387249      3.741972
  H      -1.344582      0.034653      4.311252
  H      -7.480147     -7.670154      3.792683
  H      -9.719436     -7.410923      4.695982
  H     -10.829608     -5.163230      4.740954
  H      -9.688815     -3.234502      3.755675
  H      -0.457638     -4.166418      5.216793
  H      -0.003609     -2.880458      7.234385
  H      -1.879716     -1.938431      8.603074
  H      -4.213318     -2.386080      7.930243
  N      -5.026268     -4.676376      0.628106
  H      -5.740025     -5.367803      0.417446
  H      -4.077340     -4.903117      0.382831
  H      -5.338597     -3.801099      0.198301
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.583908755219
  N      -2.797308     -3.508922      1.756544
  C      -2.487788     -4.148412      0.470441
  C      -2.405943     -5.696243      0.733561
  N      -3.259248     -6.185249      1.877465
  C      -4.304175     -7.192484      1.543118
  C      -5.443393     -7.127156      2.551264
  N      -5.952745     -5.768224      2.737657
  Mo     -4.464017     -4.253463      2.886913
  N      -2.865910     -4.761757      4.222359
  C      -1.783495     -5.613575      3.747439
  C      -2.393123     -6.735191      2.951117
  H      -1.243025     -6.047820      4.602059
  H      -1.045041     -5.049597      3.151537
  H      -3.019485     -7.344033      3.615388
  H      -1.622637     -7.387567      2.508685
  H      -6.241596     -7.795784      2.192682
  H      -5.099646     -7.540711      3.518400
  H      -4.642926     -7.048119      0.511248
  H      -3.866469     -8.204338      1.584149
  H      -1.515405     -3.830627      0.080788
  H      -3.218283     -3.777871     -0.261400
  H      -1.367140     -5.816475      1.066684
  H      -2.516133     -6.330066     -0.158346
  C      -1.786136     -2.721424      2.299501
  C      -0.419506     -2.928689      1.992219
  C       0.579889     -2.107635      2.499123
  C       0.261973     -1.032160      3.336092
  C      -1.067226     -0.791813      3.647563
  C      -2.097196     -1.613811      3.151213
  C      -3.476174     -1.397595      3.525891
  O      -4.258294     -2.419021      3.678001
  C      -4.081364     -0.108950      3.798040
  F      -5.335258     -0.252500      4.315120
  S      -3.499319      1.389334      3.500626
  C      -7.229318     -5.608060      3.176137
  C      -7.950231     -6.713760      3.712911
  C      -9.216694     -6.575392      4.243004
  C      -9.854573     -5.321508      4.273710
  C      -9.218051     -4.234538      3.720527
  C      -7.928027     -4.328923      3.126182
  C      -7.346169     -3.183364      2.488602
  O      -6.094985     -3.070481      2.233735
  C      -8.123641     -2.027847      1.954050
  F      -9.461968     -2.239969      1.891092
  S      -7.490139     -0.641966      1.402512
  C      -2.628145     -4.071165      5.381134
  C      -1.302068     -3.824310      5.828379
  C      -1.048500     -3.072961      6.961209
  C      -2.100545     -2.528180      7.719675
  C      -3.403544     -2.782081      7.342762
  C      -3.702256     -3.571989      6.207049
  C      -5.037266     -3.984286      5.895868
  O      -5.383135     -4.361021      4.720804
  C      -6.106651     -4.145361      6.911844
  F      -7.301966     -4.347053      6.306053
  S      -6.009378     -4.183308      8.529674
  H      -0.119603     -3.760274      1.355081
  H       1.620095     -2.317083      2.244550
  H       1.045770     -0.394518      3.744625
  H      -1.333586      0.035822      4.301085
  H      -7.466079     -7.685193      3.779594
  H      -9.706162     -7.447117      4.681064
  H     -10.831331     -5.207072      4.742533
  H      -9.700910     -3.263261      3.772678
  H      -0.461142     -4.169254      5.230357
  H      -0.013490     -2.871691      7.242650
  H      -1.892143     -1.911396      8.593978
  H      -4.224839     -2.357102      7.914204
  N      -5.046186     -4.646164      0.602185
  H      -5.764917     -5.332000      0.391061
  H      -4.098051     -4.887985      0.365657
  H      -5.335400     -3.762261      0.176083
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.588075988524
  N      -2.785974     -3.509065      1.749592
  C      -2.467651     -4.164438      0.473271
  C      -2.407690     -5.706449      0.734575
  N      -3.269204     -6.177298      1.879740
  C      -4.309847     -7.184198      1.535464
  C      -5.445816     -7.127923      2.542541
  N      -5.948882     -5.768182      2.733228
  Mo     -4.460458     -4.245960      2.874701
  N      -2.870556     -4.757399      4.226803
  C      -1.793230     -5.615553      3.754190
  C      -2.411258     -6.733009      2.958786
  H      -1.253734     -6.052380      4.608195
  H      -1.052008     -5.057040      3.156176
  H      -3.045405     -7.334722      3.621832
  H      -1.645983     -7.393794      2.519916
  H      -6.245238     -7.791666      2.178053
  H      -5.105489     -7.549075      3.507561
  H      -4.649921     -7.028135      0.505653
  H      -3.868620     -8.195113      1.565499
  H      -1.484443     -3.867844      0.094160
  H      -3.178014     -3.783234     -0.272539
  H      -1.373342     -5.863978      1.066398
  H      -2.538289     -6.338446     -0.155916
  C      -1.775101     -2.722782      2.294097
  C      -0.407086     -2.934653      1.995402
  C       0.592221     -2.114967      2.504347
  C       0.274478     -1.035864      3.336679
  C      -1.055277     -0.791465      3.641361
  C      -2.085620     -1.611635      3.141988
  C      -3.462970     -1.391687      3.519544
  O      -4.250019     -2.407750      3.669812
  C      -4.062489     -0.099459      3.796834
  F      -5.310227     -0.240099      4.327790
  S      -3.481539      1.396343      3.488292
  C      -7.225986     -5.617520      3.177492
  C      -7.939812     -6.730789      3.709015
  C      -9.208159     -6.604452      4.237957
  C      -9.855864     -5.355919      4.273703
  C      -9.225707     -4.261604      3.727939
  C      -7.933741     -4.344546      3.136574
  C      -7.354632     -3.192053      2.512398
  O      -6.102703     -3.074361      2.261666
  C      -8.131718     -2.030151      1.995408
  F      -9.467698     -2.252873      1.907631
  S      -7.503266     -0.625188      1.487712
  C      -2.631906     -4.062642      5.381141
  C      -1.306656     -3.821405      5.834613
  C      -1.055893     -3.063487      6.963474
  C      -2.109058     -2.507525      7.713045
  C      -3.411263     -2.758851      7.332587
  C      -3.707275     -3.554615      6.200100
  C      -5.040179     -3.968894      5.886684
  O      -5.385848     -4.349374      4.713712
  C      -6.109370     -4.129089      6.905164
  F      -7.306416     -4.322665      6.301700
  S      -6.005341     -4.175673      8.521849
  H      -0.104678     -3.768880      1.363066
  H       1.632801     -2.328831      2.255060
  H       1.058147     -0.399239      3.746925
  H      -1.322455      0.038594      4.291371
  H      -7.450842     -7.699867      3.771249
  H      -9.692062     -7.482641      4.669205
  H     -10.834496     -5.251416      4.740899
  H      -9.715003     -3.293688      3.783831
  H      -0.464542     -4.174535      5.242939
  H      -0.021487     -2.864922      7.249031
  H      -1.901549     -1.884580      8.583185
  H      -4.233732     -2.326404      7.896837
  N      -5.062912     -4.613894      0.577742
  H      -5.786265     -5.294865      0.367419
  H      -4.117087     -4.871777      0.348634
  H      -5.329433     -3.722477      0.154457
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.591691594898
  N      -2.773656     -3.509284      1.743597
  C      -2.446979     -4.178391      0.476772
  C      -2.409400     -5.717295      0.736361
  N      -3.280237     -6.169637      1.882427
  C      -4.315856     -7.176791      1.526665
  C      -5.449236     -7.130646      2.532477
  N      -5.945191     -5.769639      2.728646
  Mo     -4.457058     -4.239053      2.863724
  N      -2.875848     -4.753788      4.230399
  C      -1.803809     -5.618650      3.760355
  C      -2.430790     -6.731940      2.966571
  H      -1.265629     -6.057678      4.614122
  H      -1.059931     -5.065873      3.159962
  H      -3.072826     -7.325598      3.628965
  H      -1.671741     -7.401736      2.530760
  H      -6.250453     -7.788070      2.160877
  H      -5.113122     -7.560828      3.494885
  H      -4.658388     -7.006285      0.499909
  H      -3.870067     -8.186105      1.542691
  H      -1.454287     -3.901653      0.107325
  H      -3.138223     -3.789797     -0.283099
  H      -1.380309     -5.909183      1.066104
  H      -2.562477     -6.344767     -0.153600
  C      -1.763983     -2.723611      2.290372
  C      -0.394528     -2.940024      2.000238
  C       0.604512     -2.121424      2.510856
  C       0.286616     -1.038196      3.337881
  C      -1.043605     -0.789941      3.635811
  C      -2.074413     -1.608873      3.134251
  C      -3.450001     -1.386113      3.514774
  O      -4.241813     -2.397239      3.661736
  C      -4.043894     -0.090903      3.800037
  F      -5.283960     -0.230064      4.347546
  S      -3.465511      1.402919      3.480834
  C      -7.222763     -5.627794      3.179128
  C      -7.928876     -6.747574      3.707884
  C      -9.199283     -6.632885      4.235128
  C      -9.857796     -5.390291      4.272626
  C      -9.234310     -4.289406      3.732401
  C      -7.940070     -4.361456      3.145315
  C      -7.363621     -3.202341      2.533951
  O      -6.110982     -3.080350      2.288649
  C      -8.140212     -2.034674      2.032990
  F      -9.473058     -2.267733      1.917946
  S      -7.516750     -0.612150      1.569552
  C      -2.635412     -4.054013      5.379899
  C      -1.310776     -3.818970      5.838807
  C      -1.061610     -3.054551      6.963470
  C      -2.115087     -2.486955      7.704507
  C      -3.416868     -2.734971      7.321091
  C      -3.711398     -3.536686      6.192260
  C      -5.042899     -3.952258      5.877884
  O      -5.389555     -4.338162      4.707728
  C      -6.111600     -4.109194      6.899374
  F      -7.310842     -4.293848      6.298719
  S      -6.000857     -4.162954      8.514991
  H      -0.089872     -3.777382      1.373290
  H       1.645502     -2.339696      2.267116
  H       1.070071     -0.402258      3.749510
  H      -1.311603      0.042705      4.282087
  H      -7.434529     -7.713868      3.768063
  H      -9.677007     -7.516744      4.661642
  H     -10.838648     -5.295333      4.737178
  H      -9.730585     -3.325027      3.789534
  H      -0.468044     -4.181300      5.253479
  H      -0.027535     -2.859577      7.252701
  H      -1.907710     -1.858254      8.570528
  H      -4.239869     -2.294600      7.878543
  N      -5.076991     -4.580520      0.555262
  H      -5.804867     -5.257095      0.347082
  H      -4.134490     -4.854910      0.332125
  H      -5.321872     -3.682793      0.133766
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.594811042288
  N      -2.760643     -3.510186      1.739120
  C      -2.425656     -4.190891      0.481287
  C      -2.410671     -5.727874      0.738553
  N      -3.291724     -6.162382      1.884801
  C      -4.321988     -7.170094      1.516438
  C      -5.453368     -7.134779      2.520939
  N      -5.941868     -5.772289      2.723850
  Mo     -4.453955     -4.233046      2.853904
  N      -2.881866     -4.750794      4.232814
  C      -1.815101     -5.622735      3.765653
  C      -2.451196     -6.731833      2.973862
  H      -1.278801     -6.063643      4.619668
  H      -1.068511     -5.075898      3.162933
  H      -3.101418     -7.316542      3.635943
  H      -1.699044     -7.411042      2.540971
  H      -6.256915     -7.784671      2.141399
  H      -5.121874     -7.575245      3.480148
  H      -4.668129     -6.983055      0.493724
  H      -3.870915     -8.177124      1.516155
  H      -1.424614     -3.932613      0.120934
  H      -3.099006     -3.797986     -0.292640
  H      -1.387175     -5.950713      1.065601
  H      -2.587528     -6.347947     -0.151923
  C      -1.752953     -2.724455      2.288834
  C      -0.382042     -2.945581      2.007605
  C       0.616574     -2.127739      2.519510
  C       0.298040     -1.039691      3.340184
  C      -1.032606     -0.787583      3.631093
  C      -2.063900     -1.605877      3.128143
  C      -3.437818     -1.381136      3.511214
  O      -4.234238     -2.387860      3.653320
  C      -4.026402     -0.083803      3.806864
  F      -5.257719     -0.223045      4.372443
  S      -3.452690      1.408715      3.476715
  C      -7.219637     -5.638539      3.181142
  C      -7.917344     -6.763758      3.709678
  C      -9.189855     -6.660134      4.234972
  C      -9.859889     -5.423942      4.271032
  C      -9.243371     -4.317306      3.734240
  C      -7.946674     -4.379132      3.152414
  C      -7.372857     -3.213720      2.552962
  O      -6.119506     -3.087912      2.314108
  C      -8.149197     -2.041148      2.066591
  F      -9.478184     -2.284182      1.923765
  S      -7.531341     -0.602234      1.648028
  C      -2.638743     -4.045370      5.377277
  C      -1.314462     -3.816751      5.840477
  C      -1.065639     -3.045949      6.960769
  C      -2.118626     -2.466624      7.693865
  C      -3.420375     -2.710855      7.308303
  C      -3.714650     -3.518584      6.183566
  C      -5.045418     -3.934885      5.869502
  O      -5.393887     -4.327736      4.702767
  C      -6.113429     -4.086146      6.894226
  F      -7.315252     -4.260943      6.296666
  S      -5.996336     -4.145623      8.508901
  H      -0.075508     -3.786845      1.386961
  H       1.658054     -2.350534      2.281964
  H       1.081161     -0.404074      3.752887
  H      -1.301458      0.047952      4.273209
  H      -7.417044     -7.726859      3.769999
  H      -9.660831     -7.548777      4.659051
  H     -10.843199     -5.338002      4.732129
  H      -9.747050     -3.356572      3.790122
  H      -0.471742     -4.188841      5.261174
  H      -0.031628     -2.855145      7.253028
  H      -1.910575     -1.832569      8.555809
  H      -4.243239     -2.262330      7.859571
  N      -5.088646     -4.546503      0.535116
  H      -5.821296     -5.218757      0.330289
  H      -4.150118     -4.837593      0.316433
  H      -5.313257     -3.643663      0.114389
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.597488837455
  N      -2.747267     -3.512140      1.736546
  C      -2.403817     -4.202363      0.487092
  C      -2.411438     -5.737906      0.740815
  N      -3.303260     -6.155921      1.886227
  C      -4.328345     -7.163945      1.504612
  C      -5.458168     -7.139682      2.507885
  N      -5.939117     -5.775682      2.718758
  Mo     -4.451242     -4.228126      2.845144
  N      -2.888682     -4.748514      4.233821
  C      -1.827123     -5.628003      3.770026
  C      -2.472272     -6.732821      2.980255
  H      -1.293549     -6.070586      4.624889
  H      -1.077482     -5.087390      3.165334
  H      -3.131177     -7.307671      3.642128
  H      -1.727389     -7.421749      2.550549
  H      -6.264573     -7.781052      2.120035
  H      -5.131343     -7.591434      3.463268
  H      -4.678956     -6.959059      0.486773
  H      -3.871800     -8.168152      1.486631
  H      -1.395385     -3.961047      0.135563
  H      -3.060590     -3.807776     -0.300710
  H      -1.393618     -5.988843      1.064529
  H      -2.612603     -6.347746     -0.151278
  C      -1.742221     -2.725636      2.289673
  C      -0.369833     -2.951486      2.017911
  C       0.628065     -2.133822      2.530697
  C       0.308170     -1.040227      3.343764
  C      -1.022939     -0.784436      3.627246
  C      -2.054461     -1.602933      3.123683
  C      -3.426912     -1.376973      3.508579
  O      -4.227765     -2.379880      3.644178
  C      -4.010544     -0.078532      3.816777
  F      -5.231494     -0.219226      4.403001
  S      -3.442920      1.413445      3.476769
  C      -7.216632     -5.649305      3.183642
  C      -7.905057     -6.779035      3.714443
  C      -9.179457     -6.685895      4.238094
  C      -9.861403     -5.456452      4.270169
  C      -9.252356     -4.344811      3.734595
  C      -7.953329     -4.396925      3.158114
  C      -7.382135     -3.225557      2.569308
  O      -6.128063     -3.096310      2.337529
  C      -8.158363     -2.048963      2.095829
  F      -9.482376     -2.302040      1.922534
  S      -7.546222     -0.595744      1.720261
  C      -2.642028     -4.037024      5.373249
  C      -1.317817     -3.814726      5.839350
  C      -1.068114     -3.037558      6.955067
  C      -2.119845     -2.446616      7.680919
  C      -3.421956     -2.686902      7.294212
  C      -3.717122     -3.500781      6.174072
  C      -5.047774     -3.917361      5.861515
  O      -5.398454     -4.318458      4.698679
  C      -6.115035     -4.060616      6.889387
  F      -7.319649     -4.224753      6.294940
  S      -5.992233     -4.124605      8.503262
  H      -0.061642     -3.797420      1.404587
  H       1.670171     -2.361065      2.300148
  H       1.090691     -0.404331      3.757150
  H      -1.292889      0.054365      4.264598
  H      -7.398120     -7.738489      3.776576
  H      -9.643054     -7.578448      4.662118
  H     -10.847137     -5.378994      4.727583
  H      -9.763785     -3.387909      3.787381
  H      -0.475742     -4.196738      5.265508
  H      -0.033915     -2.851158      7.249525
  H      -1.910335     -1.807459      8.538727
  H      -4.244035     -2.230151      7.840012
  N      -5.097917     -4.511952      0.517605
  H      -5.835956     -5.179501      0.317090
  H      -4.163900     -4.819875      0.301714
  H      -5.303733     -3.605147      0.096781
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.599786486694
  N      -2.733483     -3.515534      1.736092
  C      -2.381333     -4.213310      0.494384
  C      -2.411440     -5.747709      0.742930
  N      -3.314118     -6.150882      1.886381
  C      -4.334681     -7.158430      1.491375
  C      -5.463262     -7.144962      2.493522
  N      -5.936739     -5.779576      2.713344
  Mo     -4.448666     -4.224481      2.837327
  N      -2.895989     -4.747055      4.233371
  C      -1.839503     -5.634528      3.773586
  C      -2.493364     -6.735091      2.985649
  H      -1.309620     -6.078571      4.629969
  H      -1.086307     -5.100421      3.167462
  H      -3.161390     -7.299296      3.647293
  H      -1.755787     -7.433883      2.559713
  H      -6.272936     -7.777178      2.097451
  H      -5.140877     -7.608589      3.444534
  H      -4.690103     -6.935327      0.478928
  H      -3.873054     -8.159559      1.455352
  H      -1.366319     -3.987338      0.151692
  H      -3.022819     -3.819105     -0.306913
  H      -1.399336     -6.024884      1.062531
  H      -2.636635     -6.344710     -0.151838
  C      -1.731653     -2.727561      2.292900
  C      -0.357747     -2.957994      2.031363
  C       0.639016     -2.139789      2.544703
  C       0.316931     -1.040021      3.348891
  C      -1.014752     -0.780817      3.624386
  C      -2.046081     -1.600387      3.120756
  C      -3.417449     -1.373793      3.506355
  O      -4.222542     -2.373449      3.633767
  C      -3.997008     -0.075380      3.828350
  F      -5.207584     -0.219209      4.434152
  S      -3.438556      1.416880      3.477095
  C      -7.213566     -5.659829      3.186501
  C      -7.892275     -6.793039      3.721742
  C      -9.168545     -6.709481      4.243567
  C      -9.862531     -5.486960      4.268694
  C      -9.261008     -4.371237      3.732369
  C      -7.959484     -4.414399      3.162089
  C      -7.390999     -3.237608      2.582803
  O      -6.136276     -3.104835      2.358308
  C      -8.168272     -2.057982      2.121994
  F      -9.487576     -2.320121      1.924168
  S      -7.564636     -0.589966      1.792976
  C      -2.645107     -4.029208      5.367881
  C      -1.320696     -3.812749      5.835395
  C      -1.069053     -3.029097      6.946283
  C      -2.118879     -2.426879      7.665649
  C      -3.421701     -2.663415      7.278869
  C      -3.718692     -3.483632      6.163847
  C      -5.049751     -3.900179      5.853827
  O      -5.402608     -4.310646      4.695259
  C      -6.116274     -4.033332      6.884551
  F      -7.323790     -4.185927      6.293114
  S      -5.988492     -4.100315      8.497787
  H      -0.047895     -3.809212      1.426342
  H       1.681914     -2.371270      2.322047
  H       1.098484     -0.403156      3.762617
  H      -1.286163      0.061596      4.256290
  H      -7.378214     -7.748446      3.787309
  H      -9.624622     -7.604942      4.669635
  H     -10.850923     -5.417278      4.721614
  H      -9.780559     -3.418235      3.779575
  H      -0.479817     -4.204492      5.266320
  H      -0.034452     -2.846976      7.242013
  H      -1.907259     -1.782739      8.519200
  H      -4.242463     -2.198597      7.819972
  N      -5.104352     -4.477086      0.503012
  H      -5.848707     -5.139092      0.307513
  H      -4.175484     -4.802000      0.288062
  H      -5.292861     -3.567320      0.081396
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.601769471392
  N      -2.720091     -3.520046      1.737861
  C      -2.359055     -4.223275      0.503127
  C      -2.411361     -5.756928      0.744301
  N      -3.324614     -6.147326      1.884714
  C      -4.341878     -7.153052      1.476534
  C      -5.469424     -7.149703      2.477731
  N      -5.935434     -5.783115      2.707340
  Mo     -4.446762     -4.221874      2.830396
  N      -2.904208     -4.746576      4.231420
  C      -1.852646     -5.642237      3.776061
  C      -2.514617     -6.738534      2.989401
  H      -1.327326     -6.087717      4.634472
  H      -1.095394     -5.114693      3.169238
  H      -3.191855     -7.291856      3.650618
  H      -1.784057     -7.446970      2.567731
  H      -6.282770     -7.772425      2.074003
  H      -5.151008     -7.625399      3.423929
  H      -4.701958     -6.912060      0.469685
  H      -3.876199     -8.151248      1.422880
  H      -1.338196     -4.010794      0.169406
  H      -2.986606     -3.830718     -0.310990
  H      -1.405096     -6.059498      1.058822
  H      -2.659523     -6.338624     -0.154230
  C      -1.721876     -2.730091      2.298448
  C      -0.346421     -2.964589      2.047672
  C       0.648698     -2.145003      2.561299
  C       0.323606     -1.038712      3.355646
  C      -1.008795     -0.776722      3.622851
  C      -2.039275     -1.598410      3.119657
  C      -3.409838     -1.371693      3.504927
  O      -4.219051     -2.368553      3.622300
  C      -3.985609     -0.074275      3.842185
  F      -5.183047     -0.222047      4.472063
  S      -3.435411      1.418991      3.484317
  C      -7.210865     -5.669376      3.190006
  C      -7.878421     -6.805552      3.731971
  C      -9.155490     -6.731292      4.254206
  C      -9.861216     -5.515799      4.272433
  C      -9.268527     -4.396431      3.733025
  C      -7.965727     -4.430668      3.165888
  C      -7.400101     -3.248786      2.594002
  O      -6.144834     -3.112578      2.376337
  C      -8.177896     -2.066839      2.142828
  F      -9.488689     -2.340183      1.904665
  S      -7.579451     -0.589797      1.846715
  C      -2.648540     -4.022462      5.361363
  C      -1.323652     -3.811170      5.828783
  C      -1.069132     -3.020951      6.934621
  C      -2.116485     -2.407998      7.648361
  C      -3.420347     -2.641183      7.262636
  C      -3.719970     -3.467869      6.153198
  C      -5.051915     -3.884064      5.846455
  O      -5.406587     -4.304571      4.692307
  C      -6.117904     -4.005534      6.879403
  F      -7.328067     -4.146702      6.290458
  S      -5.986102     -4.074973      8.492143
  H      -0.034698     -3.821317      1.451549
  H       1.692540     -2.380191      2.347109
  H       1.103753     -0.400050      3.769270
  H      -1.282200      0.069566      4.248699
  H      -7.356330     -7.756374      3.801034
  H      -9.603012     -7.628985      4.684654
  H     -10.851251     -5.453481      4.722852
  H      -9.796232     -3.447771      3.775493
  H      -0.484446     -4.212101      5.263608
  H      -0.033929     -2.842728      7.230607
  H      -1.902195     -1.758929      8.497506
  H      -4.239330     -2.168637      7.799861
  N      -5.108214     -4.441319      0.491674
  H      -5.860021     -5.096537      0.301537
  H      -4.185270     -4.783382      0.275402
  H      -5.280915     -3.529241      0.068966
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.603481359872
  N      -2.705668     -3.526728      1.741377
  C      -2.335358     -4.234092      0.513210
  C      -2.409387     -5.767174      0.745550
  N      -3.332558     -6.146381      1.882111
  C      -4.347704     -7.149119      1.461750
  C      -5.474487     -7.154622      2.461945
  N      -5.933580     -5.787026      2.701090
  Mo     -4.444127     -4.220740      2.823939
  N      -2.911941     -4.746809      4.228328
  C      -1.864798     -5.650588      3.778196
  C      -2.533575     -6.743295      2.992606
  H      -1.344710     -6.096923      4.639302
  H      -1.103152     -5.129571      3.171273
  H      -3.219642     -7.285942      3.653318
  H      -1.809200     -7.460819      2.575999
  H      -6.291428     -7.768336      2.051510
  H      -5.159505     -7.641614      3.403370
  H      -4.711725     -6.891733      0.460196
  H      -3.879229     -8.144806      1.392100
  H      -1.309265     -4.033360      0.188667
  H      -2.950009     -3.844288     -0.313051
  H      -1.409155     -6.094366      1.054399
  H      -2.678607     -6.332095     -0.157398
  C      -1.711504     -2.734269      2.305671
  C      -0.334445     -2.972581      2.066624
  C       0.658503     -2.150850      2.580362
  C       0.329675     -1.037586      3.363708
  C      -1.003624     -0.772991      3.621752
  C      -2.032743     -1.597491      3.119084
  C      -3.403176     -1.370719      3.501973
  O      -4.216241     -2.365181      3.608247
  C      -3.977156     -0.075038      3.852527
  F      -5.166437     -0.228299      4.495921
  S      -3.441162      1.419549      3.480882
  C      -7.207654     -5.678463      3.192902
  C      -7.865579     -6.816168      3.742321
  C      -9.144593     -6.749430      4.262083
  C      -9.861846     -5.540827      4.268393
  C      -9.276114     -4.419250      3.725262
  C      -7.970306     -4.446220      3.166345
  C      -7.407905     -3.260293      2.601549
  O      -6.152455     -3.119450      2.390157
  C      -8.190601     -2.077531      2.164159
  F      -9.501657     -2.356360      1.930933
  S      -7.611128     -0.581828      1.930673
  C      -2.651312     -4.016239      5.353860
  C      -1.325778     -3.809215      5.820015
  C      -1.067843     -3.012181      6.920518
  C      -2.112425     -2.389114      7.629253
  C      -3.417512     -2.619500      7.245364
  C      -3.720150     -3.452809      6.141895
  C      -5.053253     -3.868470      5.838837
  O      -5.409079     -4.299755      4.689189
  C      -6.118814     -3.977035      6.873452
  F      -7.331561     -4.106012      6.286771
  S      -5.983822     -4.046015      8.485936
  H      -0.020511     -3.835154      1.480256
  H       1.703436     -2.389493      2.375538
  H       1.108010     -0.396505      3.777019
  H      -1.279452      0.077523      4.240693
  H      -7.335953     -7.762395      3.816969
  H      -9.585205     -7.648138      4.697517
  H     -10.855083     -5.484802      4.712576
  H      -9.812419     -3.474509      3.757599
  H      -0.488508     -4.218766      5.258132
  H      -0.031921     -2.837295      7.215958
  H      -1.895233     -1.735129      8.473889
  H      -4.234507     -2.139712      7.779326
  N      -5.107540     -4.406741      0.483515
  H      -5.867972     -5.053819      0.299116
  H      -4.191517     -4.766031      0.263804
  H      -5.265887     -3.493005      0.059127
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.605094176155
  N      -2.693153     -3.533184      1.747064
  C      -2.313658     -4.242418      0.524400
  C      -2.408605     -5.775450      0.745187
  N      -3.340863     -6.146152      1.877275
  C      -4.355675     -7.143962      1.445217
  C      -5.481701     -7.157442      2.444784
  N      -5.933935     -5.789079      2.694387
  Mo     -4.443039     -4.219851      2.818763
  N      -2.920983     -4.748246      4.224154
  C      -1.878145     -5.659823      3.778788
  C      -2.552798     -6.748697      2.993086
  H      -1.363681     -6.107454      4.642547
  H      -1.111892     -5.144821      3.172633
  H      -3.247080     -7.281761      3.652783
  H      -1.833876     -7.474355      2.581381
  H      -6.302503     -7.762222      2.028586
  H      -5.169360     -7.655583      3.381091
  H      -4.723010     -6.870733      0.448869
  H      -3.886217     -8.137870      1.360273
  H      -1.283086     -4.051222      0.208805
  H      -2.917008     -3.855269     -0.312796
  H      -1.414610     -6.127096      1.047240
  H      -2.696989     -6.321669     -0.163123
  C      -1.703010     -2.738232      2.314940
  C      -0.324399     -2.979548      2.087426
  C       0.666033     -2.155192      2.601276
  C       0.333127     -1.035307      3.373739
  C      -1.001136     -0.768920      3.622962
  C      -2.028337     -1.596882      3.120977
  C      -3.398775     -1.370552      3.500823
  O      -4.215421     -2.363014      3.594423
  C      -3.971190     -0.077335      3.865737
  F      -5.148030     -0.236399      4.529950
  S      -3.444987      1.419273      3.489961
  C      -7.205681     -5.685529      3.197290
  C      -7.851299     -6.825162      3.755925
  C      -9.129535     -6.766583      4.279324
  C      -9.857211     -5.564643      4.279406
  C      -9.281466     -4.440445      3.730219
  C      -7.976196     -4.459372      3.170145
  C      -7.417446     -3.269239      2.609370
  O      -6.162057     -3.123977      2.402563
  C      -8.202570     -2.086170      2.178793
  F      -9.499336     -2.379812      1.888401
  S      -7.626942     -0.587228      1.958054
  C      -2.654855     -4.012132      5.346056
  C      -1.328355     -3.808991      5.809655
  C      -1.066145     -3.005656      6.904993
  C      -2.107432     -2.373286      7.609904
  C      -3.414059     -2.601037      7.228821
  C      -3.720491     -3.440494      6.131331
  C      -5.055207     -3.854953      5.832213
  O      -5.411795     -4.296597      4.686788
  C      -6.120556     -3.950090      6.867705
  F      -7.335352     -4.068328      6.282543
  S      -5.983246     -4.019500      8.480046
  H      -0.008018     -3.847530      1.510507
  H       1.712097     -2.396579      2.405650
  H       1.109390     -0.391339      3.786485
  H      -1.279761      0.085636      4.235029
  H      -7.313032     -7.766321      3.833280
  H      -9.560952     -7.666322      4.721805
  H     -10.850623     -5.514866      4.723983
  H      -9.825546     -3.500245      3.759088
  H      -0.493433     -4.226253      5.249941
  H      -0.029293     -2.833820      7.198936
  H      -1.886836     -1.714774      8.450155
  H      -4.228665     -2.114582      7.760513
  N      -5.105270     -4.370202      0.479873
  H      -5.875513     -5.007557      0.301250
  H      -4.197217     -4.746669      0.253397
  H      -5.250876     -3.454902      0.054394
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.606596123657
  N      -2.680032     -3.541909      1.753842
  C      -2.290981     -4.252172      0.536263
  C      -2.406231     -5.785230      0.744080
  N      -3.346641     -6.148761      1.871311
  C      -4.362632     -7.140174      1.428784
  C      -5.488158     -7.159948      2.427560
  N      -5.934240     -5.791004      2.686824
  Mo     -4.441728     -4.220227      2.813472
  N      -2.929629     -4.750418      4.219089
  C      -1.890685     -5.669586      3.779152
  C      -2.569534     -6.755371      2.992747
  H      -1.382424     -6.118159      4.646039
  H      -1.119417     -5.160429      3.174567
  H      -3.271349     -7.280073      3.650993
  H      -1.854688     -7.488179      2.586716
  H      -6.312444     -7.756941      2.006830
  H      -5.177838     -7.667840      3.359155
  H      -4.731858     -6.852853      0.436886
  H      -3.894238     -8.133360      1.330729
  H      -1.256331     -4.068622      0.230041
  H      -2.883664     -3.867613     -0.310948
  H      -1.418910     -6.160987      1.038977
  H      -2.711206     -6.312272     -0.169882
  C      -1.694369     -2.744016      2.325371
  C      -0.314030     -2.987693      2.110504
  C       0.673075     -2.159936      2.624827
  C       0.335226     -1.033309      3.385625
  C      -1.000284     -0.765605      3.624940
  C      -2.024623     -1.597875      3.123348
  C      -3.395644     -1.371540      3.497348
  O      -4.215970     -2.361921      3.577206
  C      -3.967353     -0.080419      3.873328
  F      -5.132764     -0.244084      4.556046
  S      -3.447663      1.417651      3.496100
  C      -7.203569     -5.692064      3.200699
  C      -7.837940     -6.832829      3.768553
  C      -9.115775     -6.781281      4.294488
  C      -9.853402     -5.585772      4.286469
  C      -9.286689     -4.459834      3.730833
  C      -7.981195     -4.471675      3.171701
  C      -7.426685     -3.278052      2.613612
  O      -6.171977     -3.126997      2.409989
  C      -8.217193     -2.095927      2.191116
  F      -9.508584     -2.398167      1.883894
  S      -7.656588     -0.586281      2.009883
  C      -2.658230     -4.008607      5.337378
  C      -1.330640     -3.808093      5.797463
  C      -1.063972     -2.997753      6.886975
  C      -2.101911     -2.356426      7.588203
  C      -3.410169     -2.582425      7.210638
  C      -3.720554     -3.428671      6.119798
  C      -5.057067     -3.841748      5.824509
  O      -5.413487     -4.294459      4.683234
  C      -6.122605     -3.922716      6.859997
  F      -7.338931     -4.031523      6.275632
  S      -5.984229     -3.990402      8.472483
  H       0.005687     -3.860937      1.543505
  H       1.720443     -2.403595      2.439234
  H       1.108859     -0.385835      3.797837
  H      -1.282611      0.093252      4.229319
  H      -7.291698     -7.769156      3.848911
  H      -9.539042     -7.681385      4.744039
  H     -10.847597     -5.541589      4.729941
  H      -9.838632     -3.524066      3.753907
  H      -0.498120     -4.232471      5.239525
  H      -0.026129     -2.828040      7.178633
  H      -1.877910     -1.692818      8.423532
  H      -4.222343     -2.089620      7.740276
  N      -5.098084     -4.335058      0.479719
  H      -5.879547     -4.960742      0.307072
  H      -4.199451     -4.729002      0.243424
  H      -5.231947     -3.418380      0.053149
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.608079144594
  N      -2.667665     -3.550745      1.762262
  C      -2.269180     -4.259977      0.548720
  C      -2.402797     -5.793557      0.741725
  N      -3.349716     -6.152998      1.863829
  C      -4.369128     -7.135803      1.412359
  C      -5.494338     -7.160024      2.410518
  N      -5.935303     -5.790855      2.679581
  Mo     -4.440606     -4.220989      2.809626
  N      -2.937214     -4.753671      4.213686
  C      -1.901736     -5.679544      3.778541
  C      -2.582858     -6.762613      2.990275
  H      -1.399718     -6.129237      4.648449
  H      -1.125417     -5.175411      3.176370
  H      -3.291014     -7.281264      3.646417
  H      -1.870307     -7.500889      2.589986
  H      -6.321728     -7.750424      1.986467
  H      -5.185019     -7.676596      3.337553
  H      -4.738554     -6.835977      0.424014
  H      -3.904804     -8.129888      1.303328
  H      -1.231373     -4.080787      0.251296
  H      -2.852859     -3.876987     -0.306449
  H      -1.421680     -6.191279      1.028701
  H      -2.720642     -6.301826     -0.178289
  C      -1.686347     -2.750404      2.337205
  C      -0.304431     -2.996026      2.134412
  C       0.679305     -2.165402      2.650059
  C       0.336834     -1.033220      3.400761
  C      -0.999885     -0.764099      3.630150
  C      -2.021457     -1.599651      3.127431
  C      -3.393909     -1.373022      3.492964
  O      -4.217504     -2.361683      3.558584
  C      -3.968022     -0.084056      3.875248
  F      -5.135413     -0.253778      4.552771
  S      -3.464541      1.415096      3.482633
  C      -7.201940     -5.696409      3.204682
  C      -7.825697     -6.838078      3.781183
  C      -9.102577     -6.792742      4.310733
  C      -9.848997     -5.603013      4.296055
  C      -9.290990     -4.475726      3.733869
  C      -7.985842     -4.481288      3.174600
  C      -7.436741     -3.284659      2.617604
  O      -6.183609     -3.126020      2.414057
  C      -8.235801     -2.104892      2.204238
  F      -9.520957     -2.418501      1.881051
  S      -7.691372     -0.586539      2.051623
  C      -2.660436     -4.007338      5.329268
  C      -1.331554     -3.809535      5.785355
  C      -1.059970     -2.993595      6.869917
  C      -2.094314     -2.344524      7.568763
  C      -3.404313     -2.568229      7.194702
  C      -3.719104     -3.419729      6.109614
  C      -5.057799     -3.830082      5.817585
  O      -5.413459     -4.292986      4.679732
  C      -6.123673     -3.896708      6.852178
  F      -7.341450     -3.994996      6.268231
  S      -5.985343     -3.958532      8.465222
  H       0.018728     -3.873657      1.576218
  H       1.727867     -2.411174      2.474198
  H       1.107951     -0.383022      3.813405
  H      -1.285684      0.098187      4.227808
  H      -7.272219     -7.770017      3.863167
  H      -9.518257     -7.692990      4.767008
  H     -10.843474     -5.563808      4.739411
  H      -9.850286     -3.544007      3.751886
  H      -0.501626     -4.240085      5.228304
  H      -0.021033     -2.826250      7.159027
  H      -1.866793     -1.677128      8.400162
  H      -4.213909     -2.070196      7.723469
  N      -5.085972     -4.300364      0.486587
  H      -5.880222     -4.912115      0.320275
  H      -4.198681     -4.711487      0.235161
  H      -5.210191     -3.382199      0.059910
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.609575520450
  N      -2.656866     -3.560678      1.769930
  C      -2.249100     -4.268260      0.560082
  C      -2.398055     -5.802143      0.738670
  N      -3.350101     -6.159903      1.855546
  C      -4.374635     -7.132800      1.397360
  C      -5.500168     -7.158720      2.394583
  N      -5.937479     -5.789454      2.671739
  Mo     -4.440311     -4.222955      2.805429
  N      -2.944409     -4.757986      4.207884
  C      -1.911681     -5.689579      3.777602
  C      -2.592868     -6.770765      2.986849
  H      -1.415855     -6.140064      4.650636
  H      -1.130333     -5.189871      3.178361
  H      -3.306394     -7.285526      3.640221
  H      -1.880600     -7.512942      2.592942
  H      -6.329869     -7.744370      1.968381
  H      -5.191387     -7.681852      3.318040
  H      -4.742081     -6.823311      0.411034
  H      -3.917221     -8.129515      1.280947
  H      -1.209155     -4.090185      0.270308
  H      -2.825353     -3.885609     -0.301135
  H      -1.422105     -6.217899      1.018176
  H      -2.723963     -6.294704     -0.187004
  C      -1.679852     -2.757670      2.347570
  C      -0.296152     -3.003672      2.156637
  C       0.683284     -2.169011      2.673639
  C       0.335412     -1.031505      3.414072
  C      -1.002743     -0.762207      3.633346
  C      -2.020156     -1.602574      3.129871
  C      -3.394070     -1.375763      3.485063
  O      -4.220193     -2.363026      3.537095
  C      -3.969681     -0.088243      3.872278
  F      -5.123503     -0.260432      4.571723
  S      -3.459453      1.412257      3.495362
  C      -7.201375     -5.699244      3.207323
  C      -7.815104     -6.841421      3.792374
  C      -9.090130     -6.801100      4.327333
  C      -9.843875     -5.616240      4.308194
  C      -9.294406     -4.488200      3.738769
  C      -7.990725     -4.488804      3.176753
  C      -7.448429     -3.289975      2.617892
  O      -6.197856     -3.121928      2.411253
  C      -8.259662     -2.115524      2.210388
  F      -9.540475     -2.442885      1.882336
  S      -7.736301     -0.588023      2.082199
  C      -2.663181     -4.007292      5.320996
  C      -1.333143     -3.811718      5.773474
  C      -1.057028     -2.989953      6.852862
  C      -2.088017     -2.332831      7.548535
  C      -3.399571     -2.554150      7.177310
  C      -3.718570     -3.411521      6.098482
  C      -5.059514     -3.818509      5.808766
  O      -5.413160     -4.291197      4.673535
  C      -6.126735     -3.870562      6.840710
  F      -7.344533     -3.965679      6.255380
  S      -5.990953     -3.928268      8.454627
  H       0.031719     -3.884979      1.607068
  H       1.733173     -2.415743      2.507233
  H       1.103415     -0.377692      3.826782
  H      -1.293297      0.103757      4.223467
  H      -7.255324     -7.769559      3.874986
  H      -9.498586     -7.701157      4.790424
  H     -10.837618     -5.581034      4.753549
  H      -9.859990     -3.559985      3.753394
  H      -0.505563     -4.248359      5.217739
  H      -0.017119     -2.824785      7.139693
  H      -1.857396     -1.661327      8.375790
  H      -4.206724     -2.050609      7.704583
  N      -5.068659     -4.270183      0.499315
  H      -5.876792     -4.866212      0.340005
  H      -4.194832     -4.697869      0.227240
  H      -5.185335     -3.350325      0.073448
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.611102915494
  N      -2.647297     -3.568969      1.776804
  C      -2.231859     -4.274484      0.569689
  C      -2.393165     -5.807972      0.734438
  N      -3.348674     -6.166208      1.846411
  C      -4.378919     -7.128919      1.382816
  C      -5.505092     -7.155151      2.378966
  N      -5.939972     -5.786033      2.663204
  Mo     -4.440220     -4.224524      2.801725
  N      -2.949461     -4.763784      4.202892
  C      -1.919227     -5.699553      3.775648
  C      -2.599552     -6.778400      2.981108
  H      -1.428697     -6.151835      4.650756
  H      -1.133332     -5.203074      3.179602
  H      -3.317335     -7.291943      3.630822
  H      -1.886349     -7.522629      2.592361
  H      -6.336304     -7.737432      1.951000
  H      -5.196705     -7.683415      3.299587
  H      -4.743075     -6.811540      0.397547
  H      -3.929981     -8.129145      1.261165
  H      -1.190703     -4.095004      0.285872
  H      -2.801725     -3.889249     -0.295138
  H      -1.421071     -6.237629      1.007016
  H      -2.723568     -6.288456     -0.196077
  C      -1.673958     -2.764788      2.357736
  C      -0.288639     -3.011600      2.177933
  C       0.686966     -2.174945      2.698467
  C       0.334769     -1.033999      3.431846
  C      -1.004570     -0.763623      3.641051
  C      -2.018606     -1.606186      3.133964
  C      -3.394520     -1.378358      3.476949
  O      -4.223019     -2.364224      3.516115
  C      -3.973841     -0.091660      3.864079
  F      -5.135596     -0.267601      4.548764
  S      -3.471859      1.409136      3.479192
  C      -7.200952     -5.700470      3.208765
  C      -7.804839     -6.843913      3.800634
  C      -9.076385     -6.808305      4.344486
  C      -9.835739     -5.627164      4.327196
  C      -9.295300     -4.497852      3.751434
  C      -7.995293     -4.493976      3.181246
  C      -7.461158     -3.292461      2.619448
  O      -6.214298     -3.113932      2.406146
  C      -8.285686     -2.123487      2.217562
  F      -9.560381     -2.465030      1.879563
  S      -7.782268     -0.588426      2.108289
  C      -2.664899     -4.010025      5.314344
  C      -1.333998     -3.817355      5.764768
  C      -1.054062     -2.991227      6.840104
  C      -2.082089     -2.326435      7.532351
  C      -3.394832     -2.544118      7.162174
  C      -3.717601     -3.405915      6.088351
  C      -5.060805     -3.807837      5.799316
  O      -5.411997     -4.288572      4.665612
  C      -6.129861     -3.845817      6.827548
  F      -7.347748     -3.934239      6.240260
  S      -5.998631     -3.892216      8.442894
  H       0.043738     -3.895340      1.635030
  H       1.737895     -2.423230      2.540987
  H       1.100240     -0.378763      3.846954
  H      -1.299171      0.104538      4.225857
  H      -7.240034     -7.769257      3.880844
  H      -9.477337     -7.708843      4.813137
  H     -10.826808     -5.595621      4.778752
  H      -9.865416     -3.572450      3.768106
  H      -0.508380     -4.259869      5.210856
  H      -0.013402     -2.829068      7.125919
  H      -1.848940     -1.652037      8.356561
  H      -4.199861     -2.035361      7.687672
  N      -5.048056     -4.241280      0.518261
  H      -5.870659     -4.820149      0.366538
  H      -4.190195     -4.684808      0.219168
  H      -5.158402     -3.318516      0.095995
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.612622737865
  N      -2.639058     -3.575988      1.781121
  C      -2.218757     -4.281316      0.576403
  C      -2.389226     -5.812479      0.730603
  N      -3.346802     -6.171120      1.838995
  C      -4.381620     -7.125586      1.370826
  C      -5.508641     -7.151726      2.365513
  N      -5.942283     -5.782858      2.654787
  Mo     -4.440339     -4.225863      2.798002
  N      -2.951994     -4.770151      4.200389
  C      -1.924147     -5.708592      3.774670
  C      -2.603754     -6.784804      2.975868
  H      -1.437500     -6.163438      4.650666
  H      -1.134512     -5.214424      3.181451
  H      -3.324746     -7.298992      3.621558
  H      -1.889207     -7.529647      2.590481
  H      -6.340302     -7.732171      1.935807
  H      -5.200979     -7.683303      3.284416
  H      -4.742266     -6.802001      0.386039
  H      -3.940273     -8.128908      1.245523
  H      -1.176828     -4.099344      0.296867
  H      -2.782236     -3.890550     -0.290342
  H      -1.419695     -6.251576      0.998042
  H      -2.721895     -6.285978     -0.202815
  C      -1.669025     -2.771458      2.365229
  C      -0.282455     -3.018716      2.193440
  C       0.690120     -2.181262      2.717689
  C       0.334878     -1.038483      3.447153
  C      -1.005256     -0.766975      3.648406
  C      -2.016925     -1.610331      3.137330
  C      -3.394646     -1.380394      3.468561
  O      -4.226100     -2.364198      3.496551
  C      -3.976171     -0.093223      3.853743
  F      -5.141811     -0.270571      4.530689
  S      -3.472820      1.407511      3.471843
  C      -7.200669     -5.702032      3.209190
  C      -7.797018     -6.847286      3.804785
  C      -9.065298     -6.815760      4.356985
  C      -9.829130     -5.637571      4.344210
  C      -9.296189     -4.506739      3.764435
  C      -7.999718     -4.499019      3.186888
  C      -7.475042     -3.294502      2.622431
  O      -6.232821     -3.105316      2.399927
  C      -8.314625     -2.131596      2.227581
  F      -9.582309     -2.488904      1.879813
  S      -7.831051     -0.590005      2.130917
  C      -2.665860     -4.013062      5.309641
  C      -1.334685     -3.823572      5.760350
  C      -1.052280     -2.992720      6.831486
  C      -2.078130     -2.319158      7.518113
  C      -3.391451     -2.532687      7.146923
  C      -3.716957     -3.399558      6.078229
  C      -5.061971     -3.795880      5.788544
  O      -5.410528     -4.284168      4.655857
  C      -6.133184     -3.820134      6.812437
  F      -7.350389     -3.909488      6.222652
  S      -6.007838     -3.855778      8.429308
  H       0.053604     -3.903495      1.654434
  H       1.741726     -2.430849      2.566696
  H       1.098592     -0.383018      3.865062
  H      -1.303029      0.102492      4.229535
  H      -7.229652     -7.771318      3.881253
  H      -9.460079     -7.717577      4.828398
  H     -10.817516     -5.609515      4.801808
  H      -9.869564     -3.583202      3.784195
  H      -0.510361     -4.272841      5.210048
  H      -0.011276     -2.833965      7.117950
  H      -1.843339     -1.641451      8.339132
  H      -4.194968     -2.017849      7.668795
  N      -5.026640     -4.215685      0.541034
  H      -5.863497     -4.777056      0.397880
  H      -4.187786     -4.674325      0.209376
  H      -5.130571     -3.288514      0.125639
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.614117176508
  N      -2.631332     -3.581375      1.782405
  C      -2.209673     -4.288934      0.579840
  C      -2.386757     -5.815652      0.727604
  N      -3.346217     -6.173376      1.833777
  C      -4.383319     -7.122511      1.360318
  C      -5.511624     -7.149951      2.352703
  N      -5.944534     -5.781444      2.645289
  Mo     -4.440354     -4.226978      2.793749
  N      -2.951892     -4.777106      4.200779
  C      -1.926904     -5.717147      3.775047
  C      -2.607506     -6.789923      2.971789
  H      -1.442854     -6.175737      4.650629
  H      -1.134122     -5.224757      3.184242
  H      -3.331159     -7.305312      3.613514
  H      -1.892503     -7.534850      2.587316
  H      -6.342823     -7.729249      1.920397
  H      -5.205716     -7.683862      3.270768
  H      -4.741188     -6.792880      0.376320
  H      -3.946389     -8.127268      1.231065
  H      -1.166925     -4.104803      0.303997
  H      -2.765406     -3.889683     -0.288244
  H      -1.419173     -6.260703      0.993017
  H      -2.720807     -6.286454     -0.206759
  C      -1.664500     -2.777336      2.369923
  C      -0.276963     -3.025002      2.203622
  C       0.693478     -2.188142      2.731995
  C       0.336192     -1.045003      3.460406
  C      -1.004319     -0.772339      3.655622
  C      -2.014769     -1.614955      3.140214
  C      -3.393746     -1.381600      3.461340
  O      -4.229436     -2.361997      3.479829
  C      -3.974671     -0.092579      3.844333
  F      -5.144623     -0.268724      4.513404
  S      -3.465669      1.407236      3.467548
  C      -7.200483     -5.705550      3.207367
  C      -7.790496     -6.853411      3.804133
  C      -9.055172     -6.826110      4.365225
  C      -9.822613     -5.650407      4.360916
  C      -9.296532     -4.517327      3.779267
  C      -8.004269     -4.505704      3.192758
  C      -7.489379     -3.297238      2.626923
  O      -6.251913     -3.098757      2.394538
  C      -8.342497     -2.138969      2.239944
  F      -9.602453     -2.509545      1.878992
  S      -7.877462     -0.591353      2.162656
  C      -2.666079     -4.016048      5.306884
  C      -1.335390     -3.830144      5.760808
  C      -1.052289     -2.994054      6.827614
  C      -2.077017     -2.310632      7.506012
  C      -3.390156     -2.519708      7.131429
  C      -3.716912     -3.392338      6.067871
  C      -5.063138     -3.783057      5.776272
  O      -5.409238     -4.278807      4.644526
  C      -6.136783     -3.793984      6.795561
  F      -7.353581     -3.880406      6.203117
  S      -6.018824     -3.810448      8.414079
  H       0.061574     -3.909764      1.666145
  H       1.745471     -2.438890      2.585546
  H       1.098815     -0.390512      3.881746
  H      -1.304345      0.097525      4.234948
  H      -7.222380     -7.777330      3.875292
  H      -9.444024     -7.730248      4.837140
  H     -10.807660     -5.626075      4.825789
  H      -9.871624     -3.594998      3.805055
  H      -0.511564     -4.287184      5.216225
  H      -0.011486     -2.839032      7.116814
  H      -1.841686     -1.629080      8.323665
  H      -4.192958     -1.997923      7.647457
  N      -5.006636     -4.192539      0.563531
  H      -5.856877     -4.736804      0.429093
  H      -4.189824     -4.665480      0.195214
  H      -5.102684     -3.259299      0.159093
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.615516654818
  N      -2.623762     -3.584946      1.781812
  C      -2.204041     -4.297112      0.581352
  C      -2.386074     -5.817846      0.727223
  N      -3.348237     -6.172388      1.832375
  C      -4.384935     -7.119348      1.352324
  C      -5.514851     -7.150556      2.341598
  N      -5.947202     -5.782519      2.636469
  Mo     -4.439996     -4.227623      2.789938
  N      -2.949527     -4.782847      4.204266
  C      -1.928203     -5.724226      3.777472
  C      -2.612414     -6.793185      2.970794
  H      -1.445669     -6.187211      4.651747
  H      -1.132750     -5.233768      3.188301
  H      -3.338377     -7.308708      3.609694
  H      -1.898804     -7.538703      2.584980
  H      -6.345001     -7.728835      1.905760
  H      -5.211420     -7.686616      3.259146
  H      -4.741652     -6.783024      0.370016
  H      -3.947854     -8.123159      1.217584
  H      -1.159811     -4.112192      0.310134
  H      -2.749841     -3.888214     -0.288797
  H      -1.420615     -6.266401      0.994751
  H      -2.721411     -6.288688     -0.206568
  C      -1.659992     -2.782031      2.372422
  C      -0.271849     -3.030323      2.208943
  C       0.697642     -2.195266      2.741031
  C       0.339337     -1.052829      3.470607
  C      -1.001107     -0.778917      3.662024
  C      -2.011815     -1.619385      3.142617
  C      -3.391391     -1.381326      3.456102
  O      -4.233084     -2.356561      3.466732
  C      -3.968661     -0.089239      3.837379
  F      -5.142299     -0.261555      4.500449
  S      -3.452580      1.408711      3.463770
  C      -7.200844     -5.710895      3.205390
  C      -7.786785     -6.861292      3.801390
  C      -9.048990     -6.837766      4.368750
  C      -9.819688     -5.664395      4.371954
  C      -9.298354     -4.529101      3.790373
  C      -8.008845     -4.513867      3.198376
  C      -7.502765     -3.301409      2.633052
  O      -6.269387     -3.096150      2.391695
  C      -8.367167     -2.145920      2.256772
  F      -9.618733     -2.527259      1.879384
  S      -7.917977     -0.593400      2.203483
  C      -2.664819     -4.016730      5.305732
  C      -1.335014     -3.834690      5.764394
  C      -1.052033     -2.992489      6.826259
  C      -2.076100     -2.297999      7.494429
  C      -3.388663     -2.502720      7.115459
  C      -3.716114     -3.382613      6.057997
  C      -5.063176     -3.768927      5.764482
  O      -5.407525     -4.272940      4.634228
  C      -6.139486     -3.767456      6.779160
  F      -7.354093     -3.870006      6.183415
  S      -6.029478     -3.779351      8.398858
  H       0.067222     -3.914602      1.671065
  H       1.749758     -2.447060      2.597261
  H       1.101596     -0.400201      3.895421
  H      -1.302000      0.090666      4.241216
  H      -7.219504     -7.785980      3.867698
  H      -9.433343     -7.744603      4.839220
  H     -10.802518     -5.643684      4.841560
  H      -9.874526     -3.607419      3.820494
  H      -0.511493     -4.300557      5.226821
  H      -0.011738     -2.841230      7.119227
  H      -1.840606     -1.611598      8.307965
  H      -4.190919     -1.972676      7.623743
  N      -4.989983     -4.171375      0.582423
  H      -5.852510     -4.699087      0.455880
  H      -4.197889     -4.657538      0.175834
  H      -5.076041     -3.230869      0.192134
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.616763809359
  N      -2.616921     -3.587324      1.780149
  C      -2.201114     -4.304368      0.581302
  C      -2.386658     -5.819154      0.728158
  N      -3.352859     -6.169432      1.832491
  C      -4.386687     -7.116539      1.344214
  C      -5.518489     -7.154891      2.329793
  N      -5.950597     -5.787778      2.627160
  Mo     -4.439403     -4.229661      2.786182
  N      -2.946109     -4.788079      4.207980
  C      -1.928925     -5.730852      3.779330
  C      -2.618959     -6.795881      2.970635
  H      -1.447256     -6.198431      4.651856
  H      -1.131181     -5.242597      3.191125
  H      -3.346916     -7.309891      3.608318
  H      -1.908645     -7.542870      2.581801
  H      -6.347249     -7.731925      1.889542
  H      -5.217589     -7.693852      3.246406
  H      -4.743973     -6.772429      0.364700
  H      -3.945010     -8.117029      1.201807
  H      -1.154638     -4.119746      0.317011
  H      -2.735250     -3.886531     -0.292367
  H      -1.423871     -6.269574      1.001859
  H      -2.722747     -6.290568     -0.204878
  C      -1.655972     -2.786128      2.373682
  C      -0.267249     -3.034291      2.211464
  C       0.701606     -2.201718      2.747770
  C       0.342163     -1.061458      3.480765
  C      -0.998052     -0.787265      3.670030
  C      -2.009349     -1.624836      3.146029
  C      -3.388936     -1.381945      3.454154
  O      -4.237846     -2.350504      3.457100
  C      -3.960179     -0.086470      3.836099
  F      -5.132398     -0.253282      4.502802
  S      -3.433412      1.409330      3.469719
  C      -7.201573     -5.720218      3.202658
  C      -7.783957     -6.873321      3.796805
  C      -9.044266     -6.853921      4.368882
  C      -9.818237     -5.682921      4.378829
  C      -9.300837     -4.545107      3.798581
  C      -8.013178     -4.525781      3.202868
  C      -7.514116     -3.309597      2.639561
  O      -6.283587     -3.100310      2.390809
  C      -8.386639     -2.155307      2.274665
  F      -9.629476     -2.544130      1.877576
  S      -7.951773     -0.598698      2.254087
  C      -2.662398     -4.016354      5.304116
  C      -1.333723     -3.837430      5.767895
  C      -1.051823     -2.989238      6.825186
  C      -2.076040     -2.285457      7.483602
  C      -3.387761     -2.487096      7.100128
  C      -3.714622     -3.373084      6.047600
  C      -5.062008     -3.756799      5.753345
  O      -5.405684     -4.270114      4.625611
  C      -6.139109     -3.742670      6.765556
  F      -7.355760     -3.824649      6.169267
  S      -6.034391     -3.709878      8.385763
  H       0.071269     -3.917440      1.671541
  H       1.753879     -2.453638      2.605605
  H       1.104020     -0.411128      3.909753
  H      -1.299306      0.080789      4.251275
  H      -7.217280     -7.798683      3.858152
  H      -9.424560     -7.763696      4.837018
  H     -10.799529     -5.666066      4.851653
  H      -9.878070     -3.624106      3.832391
  H      -0.510265     -4.311500      5.237349
  H      -0.012337     -2.841026      7.122462
  H      -1.841088     -1.594863      8.293740
  H      -4.190257     -1.950862      7.601622
  N      -4.977861     -4.152189      0.594120
  H      -5.851558     -4.663717      0.473326
  H      -4.211623     -4.649737      0.149847
  H      -5.052577     -3.204112      0.220010
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.617963139847
  N      -2.609909     -3.588418      1.779310
  C      -2.198185     -4.310290      0.582118
  C      -2.387159     -5.820789      0.733160
  N      -3.359912     -6.165300      1.835770
  C      -4.389802     -7.113363      1.338262
  C      -5.524095     -7.160082      2.319563
  N      -5.955815     -5.793937      2.619075
  Mo     -4.438272     -4.231715      2.783098
  N      -2.943877     -4.790394      4.211895
  C      -1.931470     -5.736473      3.782864
  C      -2.628856     -6.797893      2.974188
  H      -1.451731     -6.207857      4.654662
  H      -1.130721     -5.252125      3.195330
  H      -3.359514     -7.307357      3.612275
  H      -1.923758     -7.548376      2.582849
  H      -6.351598     -7.735416      1.874624
  H      -5.225734     -7.702493      3.234962
  H      -4.748325     -6.761160      0.361988
  H      -3.941142     -8.109248      1.187375
  H      -1.148497     -4.127191      0.328143
  H      -2.718960     -3.886755     -0.297150
  H      -1.427934     -6.271695      1.017430
  H      -2.722297     -6.292924     -0.199546
  C      -1.651369     -2.788863      2.374982
  C      -0.261958     -3.036220      2.213510
  C       0.706198     -2.205726      2.753450
  C       0.345165     -1.067796      3.489837
  C      -0.994871     -0.794040      3.677580
  C      -2.006659     -1.629185      3.149481
  C      -3.386007     -1.381707      3.453079
  O      -4.242945     -2.342546      3.448581
  C      -3.950740     -0.082673      3.835822
  F      -5.124484     -0.243539      4.501168
  S      -3.418981      1.410335      3.466389
  C      -7.203549     -5.728367      3.201434
  C      -7.783452     -6.882752      3.795327
  C      -9.041923     -6.865327      4.371679
  C      -9.817578     -5.695509      4.386026
  C      -9.302618     -4.556470      3.805962
  C      -8.016439     -4.535110      3.206977
  C      -7.521096     -3.317490      2.644403
  O      -6.292085     -3.108460      2.389201
  C      -8.397174     -2.162203      2.290560
  F      -9.632467     -2.553879      1.873612
  S      -7.973280     -0.603185      2.308068
  C      -2.660118     -4.012941      5.302424
  C      -1.332366     -3.838065      5.770610
  C      -1.050494     -2.983103      6.822401
  C      -2.073983     -2.268108      7.469970
  C      -3.385255     -2.466428      7.082975
  C      -3.712876     -3.361178      6.038027
  C      -5.060929     -3.744157      5.744016
  O      -5.403795     -4.267937      4.619517
  C      -6.140364     -3.719696      6.752486
  F      -7.353333     -3.839275      6.153764
  S      -6.042272     -3.696689      8.373415
  H       0.075401     -3.918472      1.671546
  H       1.758792     -2.456965      2.612667
  H       1.106357     -0.419257      3.922696
  H      -1.296156      0.072343      4.261215
  H      -7.217300     -7.808740      3.852562
  H      -9.419435     -7.776769      4.838871
  H     -10.797655     -5.680628      4.861355
  H      -9.880086     -3.635607      3.841871
  H      -0.509787     -4.321351      5.246916
  H      -0.011621     -2.838035      7.123306
  H      -1.838643     -1.571733      8.275073
  H      -4.186790     -1.921376      7.576169
  N      -4.968395     -4.134797      0.597362
  H      -5.852774     -4.629383      0.479524
  H      -4.228201     -4.642070      0.118278
  H      -5.030815     -3.179639      0.239055
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.619178753182
  N      -2.604824     -3.589353      1.780354
  C      -2.195500     -4.313393      0.583987
  C      -2.386749     -5.822370      0.740259
  N      -3.367565     -6.162126      1.839106
  C      -4.393391     -7.110318      1.331527
  C      -5.529964     -7.167241      2.309003
  N      -5.962143     -5.802852      2.612686
  Mo     -4.437094     -4.236526      2.780868
  N      -2.943056     -4.790818      4.211906
  C      -1.935111     -5.741784      3.784022
  C      -2.640172     -6.800633      2.977872
  H      -1.458239     -6.215200      4.656504
  H      -1.131091     -5.262671      3.196582
  H      -3.373716     -7.302954      3.618218
  H      -1.941514     -7.556389      2.585330
  H      -6.356385     -7.740550      1.859367
  H      -5.232638     -7.714762      3.221753
  H      -4.753364     -6.749397      0.358891
  H      -3.937493     -8.101275      1.171102
  H      -1.142151     -4.131725      0.343737
  H      -2.703375     -3.889164     -0.302454
  H      -1.431281     -6.272049      1.037528
  H      -2.718068     -6.294652     -0.193467
  C      -1.647924     -2.791372      2.377550
  C      -0.257436     -3.036004      2.216987
  C       0.708914     -2.206874      2.761424
  C       0.345064     -1.072480      3.502386
  C      -0.995145     -0.800982      3.689035
  C      -2.006007     -1.634412      3.155468
  C      -3.385241     -1.384110      3.454397
  O      -4.249671     -2.337160      3.440716
  C      -3.944797     -0.082344      3.839712
  F      -5.115176     -0.239015      4.511631
  S      -3.409875      1.408572      3.467975
  C      -7.205990     -5.738436      3.202230
  C      -7.784417     -6.893470      3.796016
  C      -9.042099     -6.876797      4.374061
  C      -9.818700     -5.707333      4.388694
  C      -9.304624     -4.567769      3.808984
  C      -8.018130     -4.545294      3.210631
  C      -7.523223     -3.328609      2.648005
  O      -6.294682     -3.122535      2.386359
  C      -8.400563     -2.171661      2.305999
  F      -9.629223     -2.564480      1.870561
  S      -7.985501     -0.611547      2.358817
  C      -2.656983     -4.008593      5.297770
  C      -1.329463     -3.836939      5.767360
  C      -1.046465     -2.976265      6.814310
  C      -2.068760     -2.253125      7.454677
  C      -3.380332     -2.449653      7.067040
  C      -3.709318     -3.351031      6.028380
  C      -5.057947     -3.736048      5.737551
  O      -5.400704     -4.271089      4.617192
  C      -6.137044     -3.702548      6.745073
  F      -7.350476     -3.826516      6.147178
  S      -6.041045     -3.651744      8.365597
  H       0.079796     -3.916772      1.672609
  H       1.762209     -2.455831      2.622028
  H       1.104730     -0.425297      3.939944
  H      -1.297155      0.062321      4.276767
  H      -7.217580     -7.819315      3.849792
  H      -9.418695     -7.788817      4.840869
  H     -10.799017     -5.693445      4.863550
  H      -9.883013     -3.647109      3.843789
  H      -0.508467     -4.327686      5.248038
  H      -0.007813     -2.833418      7.116998
  H      -1.832367     -1.552327      8.255654
  H      -4.180664     -1.898855      7.555715
  N      -4.962905     -4.120197      0.592378
  H      -5.858050     -4.596018      0.474703
  H      -4.247653     -4.634427      0.081788
  H      -5.014255     -3.158963      0.248369
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.620432268402
  N      -2.602291     -3.590320      1.783560
  C      -2.192061     -4.312718      0.586699
  C      -2.383178     -5.824276      0.750423
  N      -3.373824     -6.161613      1.842393
  C      -4.397081     -7.108074      1.325417
  C      -5.536218     -7.173945      2.299615
  N      -5.969696     -5.811910      2.608199
  Mo     -4.435808     -4.244230      2.779097
  N      -2.945432     -4.788798      4.206876
  C      -1.940824     -5.746860      3.784067
  C      -2.651923     -6.804524      2.982578
  H      -1.469083     -6.219275      4.659943
  H      -1.132621     -5.274734      3.196749
  H      -3.389028     -7.297498      3.626118
  H      -1.959889     -7.567298      2.591975
  H      -6.361724     -7.745391      1.845766
  H      -5.238904     -7.727218      3.209027
  H      -4.756556     -6.739968      0.355259
  H      -3.936919     -8.095845      1.157591
  H      -1.135135     -4.131197      0.363243
  H      -2.689292     -3.894103     -0.307532
  H      -1.430442     -6.268600      1.062792
  H      -2.704724     -6.299046     -0.185321
  C      -1.646154     -2.792878      2.380909
  C      -0.254101     -3.032302      2.221900
  C       0.708662     -2.202410      2.770756
  C       0.340573     -1.071834      3.515837
  C      -1.000392     -0.804738      3.701342
  C      -2.007978     -1.638848      3.162102
  C      -3.387395     -1.388779      3.455759
  O      -4.257351     -2.335209      3.431984
  C      -3.944658     -0.085210      3.844458
  F      -5.110358     -0.240822      4.523848
  S      -3.412588      1.404278      3.465486
  C      -7.209106     -5.746881      3.204016
  C      -7.787214     -6.901362      3.799018
  C      -9.043296     -6.882026      4.379848
  C      -9.817321     -5.710203      4.394519
  C      -9.302759     -4.571455      3.814070
  C      -8.016844     -4.551307      3.213909
  C      -7.517759     -3.339255      2.647829
  O      -6.288860     -3.140366      2.378137
  C      -8.391980     -2.178848      2.315030
  F      -9.617947     -2.568555      1.867899
  S      -7.981262     -0.619118      2.398012
  C      -2.655434     -4.004593      5.290934
  C      -1.327445     -3.836048      5.759111
  C      -1.041961     -2.971442      6.802390
  C      -2.062242     -2.242512      7.439036
  C      -3.374919     -2.437769      7.053342
  C      -3.706366     -3.344001      6.020022
  C      -5.055348     -3.733020      5.733815
  O      -5.397042     -4.278657      4.617405
  C      -6.133168     -3.693632      6.741386
  F      -7.346708     -3.830657      6.146142
  S      -6.036424     -3.616947      8.361003
  H       0.085641     -3.911179      1.675976
  H       1.763116     -2.447278      2.632854
  H       1.097633     -0.424628      3.957855
  H      -1.304553      0.054691      4.293588
  H      -7.219066     -7.826777      3.848857
  H      -9.421157     -7.792642      4.848312
  H     -10.797186     -5.694491      4.870336
  H      -9.880490     -3.650193      3.848899
  H      -0.508656     -4.332048      5.241332
  H      -0.003030     -2.830284      7.104902
  H      -1.823906     -1.538515      8.236624
  H      -4.173369     -1.883105      7.540693
  N      -4.960223     -4.111324      0.577992
  H      -5.866566     -4.565469      0.457409
  H      -4.267604     -4.628786      0.040035
  H      -5.003556     -3.145142      0.245994
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.621486285710
  N      -2.602651     -3.592795      1.787635
  C      -2.188348     -4.312357      0.590311
  C      -2.376114     -5.823318      0.759954
  N      -3.375961     -6.162992      1.843338
  C      -4.398597     -7.105533      1.318205
  C      -5.539770     -7.177597      2.290473
  N      -5.975067     -5.817960      2.605591
  Mo     -4.435075     -4.252439      2.777231
  N      -2.949329     -4.785948      4.198806
  C      -1.947189     -5.752046      3.784222
  C      -2.661089     -6.808854      2.985933
  H      -1.482058     -6.221599      4.665019
  H      -1.134334     -5.287077      3.197599
  H      -3.402580     -7.294169      3.630363
  H      -1.973534     -7.577876      2.599677
  H      -6.364285     -7.747578      1.832692
  H      -5.242185     -7.736736      3.196302
  H      -4.755086     -6.731746      0.349102
  H      -3.939383     -8.093058      1.145799
  H      -1.128984     -4.129638      0.381370
  H      -2.678896     -3.901738     -0.309885
  H      -1.423785     -6.259094      1.084785
  H      -2.683956     -6.303251     -0.177819
  C      -1.646802     -2.795362      2.385104
  C      -0.253425     -3.031103      2.229429
  C       0.705652     -2.200517      2.783104
  C       0.334443     -1.072723      3.531077
  C      -1.007374     -0.808602      3.714243
  C      -2.011253     -1.643328      3.168873
  C      -3.391292     -1.394517      3.455918
  O      -4.264326     -2.336267      3.421073
  C      -3.948844     -0.089626      3.847573
  F      -5.108762     -0.247150      4.534897
  S      -3.423137      1.398988      3.459475
  C      -7.210870     -5.752924      3.206123
  C      -7.789967     -6.907597      3.800241
  C      -9.044216     -6.884804      4.384299
  C      -9.814208     -5.709667      4.401900
  C      -9.298599     -4.571239      3.822461
  C      -8.013834     -4.554198      3.219688
  C      -7.510950     -3.346991      2.649321
  O      -6.282966     -3.155056      2.367877
  C      -8.382772     -2.182982      2.325720
  F      -9.609238     -2.569070      1.875272
  S      -7.972181     -0.624051      2.421988
  C      -2.655675     -4.001733      5.283245
  C      -1.326770     -3.834921      5.748189
  C      -1.038072     -2.966200      6.787366
  C      -2.055809     -2.232061      7.421518
  C      -3.369939     -2.426909      7.039544
  C      -3.704649     -3.338260      6.012065
  C      -5.053659     -3.731640      5.730643
  O      -5.392960     -4.286124      4.617222
  C      -6.129669     -3.688802      6.738731
  F      -7.343472     -3.840089      6.147535
  S      -6.031454     -3.585644      8.357328
  H       0.090827     -3.908371      1.683586
  H       1.760999     -2.443003      2.647477
  H       1.089412     -0.426088      3.977440
  H      -1.314146      0.047159      4.310396
  H      -7.221603     -7.833207      3.844757
  H      -9.424717     -7.794068      4.853193
  H     -10.793171     -5.692053      4.879616
  H      -9.874934     -3.648989      3.859538
  H      -0.509996     -4.334382      5.230712
  H       0.001534     -2.825653      7.087862
  H      -1.814935     -1.524229      8.214905
  H      -4.166194     -1.868733      7.526382
  N      -4.957589     -4.106403      0.566369
  H      -5.875672     -4.536849      0.444598
  H      -4.287768     -4.624844     -0.000388
  H      -4.995510     -3.135737      0.245254
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.622344580496
  N      -2.604255     -3.594820      1.789830
  C      -2.184683     -4.313260      0.592854
  C      -2.367861     -5.822999      0.769584
  N      -3.376251     -6.165154      1.843344
  C      -4.398458     -7.102999      1.309706
  C      -5.541995     -7.179126      2.279524
  N      -5.977028     -5.821619      2.602603
  Mo     -4.434235     -4.259768      2.774207
  N      -2.953638     -4.783320      4.190927
  C      -1.954391     -5.758828      3.787250
  C      -2.669787     -6.813932      2.989412
  H      -1.497353     -6.225262      4.673644
  H      -1.135998     -5.301300      3.202379
  H      -3.416806     -7.293226      3.631962
  H      -1.985507     -7.588301      2.608019
  H      -6.365746     -7.746298      1.816549
  H      -5.246516     -7.744673      3.181990
  H      -4.749911     -6.724034      0.340850
  H      -3.942596     -8.091645      1.134697
  H      -1.123535     -4.129385      0.395479
  H      -2.671189     -3.911359     -0.311773
  H      -1.414917     -6.249156      1.105486
  H      -2.660932     -6.312025     -0.168400
  C      -1.648893     -2.797058      2.388203
  C      -0.254699     -3.030742      2.235573
  C       0.701610     -2.200545      2.794453
  C       0.328847     -1.075481      3.545797
  C      -1.013635     -0.812972      3.726767
  C      -2.014536     -1.647137      3.175165
  C      -3.395226     -1.399673      3.456520
  O      -4.270183     -2.337635      3.409611
  C      -3.952811     -0.093802      3.852501
  F      -5.106458     -0.254275      4.548199
  S      -3.432941      1.393829      3.456214
  C      -7.210198     -5.757796      3.206184
  C      -7.790854     -6.914469      3.795689
  C      -9.042138     -6.889203      4.385406
  C      -9.806993     -5.710431      4.413337
  C      -9.290752     -4.570620      3.837800
  C      -8.009143     -4.556001      3.228293
  C      -7.504285     -3.352260      2.654023
  O      -6.278304     -3.168165      2.357762
  C      -8.372436     -2.182888      2.339661
  F      -9.603282     -2.561867      1.893970
  S      -7.956697     -0.625628      2.441375
  C      -2.658303     -3.999481      5.276504
  C      -1.328927     -3.833889      5.739565
  C      -1.037629     -2.959207      6.773135
  C      -2.053061     -2.218243      7.402499
  C      -3.368302     -2.413492      7.023904
  C      -3.705715     -3.331368      6.003340
  C      -5.054290     -3.729007      5.725768
  O      -5.390177     -4.291334      4.614861
  C      -6.128674     -3.683533      6.734305
  F      -7.342071     -3.854897      6.148042
  S      -6.029693     -3.553757      8.351635
  H       0.094645     -3.905913      1.689468
  H       1.757404     -2.442300      2.660499
  H       1.082701     -0.430557      3.996431
  H      -1.322896      0.038822      4.327377
  H      -7.224175     -7.841533      3.831591
  H      -9.425206     -7.798642      4.851861
  H     -10.783511     -5.692094      4.896085
  H      -9.864172     -3.646960      3.882734
  H      -0.513329     -4.336973      5.223890
  H       0.002547     -2.818682      7.071670
  H      -1.809935     -1.504468      8.189793
  H      -4.162871     -1.850976      7.508476
  N      -4.955056     -4.104289      0.554638
  H      -5.884544     -4.510590      0.433048
  H      -4.308909     -4.622283     -0.041250
  H      -4.987026     -3.129069      0.244945
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.623075634725
  N      -2.606765     -3.596153      1.789882
  C      -2.181564     -4.316123      0.594679
  C      -2.359511     -5.824062      0.779567
  N      -3.375361     -6.167338      1.843897
  C      -4.396770     -7.100277      1.301076
  C      -5.543373     -7.179417      2.266975
  N      -5.975342     -5.823571      2.600562
  Mo     -4.433572     -4.265311      2.770662
  N      -2.957061     -4.780443      4.184787
  C      -1.961010     -5.765061      3.792435
  C      -2.677625     -6.818708      2.993957
  H      -1.511602     -6.228336      4.684045
  H      -1.137426     -5.314371      3.209233
  H      -3.430181     -7.293543      3.633279
  H      -1.995543     -7.597144      2.616911
  H      -6.366829     -7.741356      1.796878
  H      -5.252776     -7.752926      3.165839
  H      -4.742054     -6.715776      0.332344
  H      -3.944661     -8.090308      1.124093
  H      -1.119295     -4.131800      0.405115
  H      -2.666850     -3.923220     -0.313167
  H      -1.405539     -6.241263      1.124412
  H      -2.638674     -6.324375     -0.156821
  C      -1.652020     -2.798637      2.390727
  C      -0.257488     -3.032502      2.241244
  C       0.697395     -2.204190      2.805642
  C       0.324519     -1.081549      3.560405
  C      -1.018315     -0.818901      3.738947
  C      -2.017587     -1.650669      3.180950
  C      -3.398923     -1.403440      3.457621
  O      -4.275459     -2.337888      3.398080
  C      -3.955416     -0.097235      3.859952
  F      -5.102411     -0.260978      4.564832
  S      -3.439793      1.389488      3.457922
  C      -7.207630     -5.762205      3.205299
  C      -7.791319     -6.922493      3.785714
  C      -9.040319     -6.896790      4.379954
  C      -9.800585     -5.715298      4.421703
  C      -9.283042     -4.572509      3.853662
  C      -8.004154     -4.558342      3.238872
  C      -7.499662     -3.355772      2.662971
  O      -6.276461     -3.179348      2.350480
  C      -8.363941     -2.180108      2.360327
  F      -9.601983     -2.550007      1.926655
  S      -7.937592     -0.625300      2.457544
  C      -2.661281     -3.995807      5.270351
  C      -1.331740     -3.831470      5.732738
  C      -1.037999     -2.948885      6.758940
  C      -2.051170     -2.199129      7.381138
  C      -3.367298     -2.395470      7.005780
  C      -3.707179     -3.321685      5.993764
  C      -5.055184     -3.724110      5.720315
  O      -5.388385     -4.293584      4.611937
  C      -6.126744     -3.677341      6.730834
  F      -7.339835     -3.872572      6.151805
  S      -6.025765     -3.519764      8.346229
  H       0.096482     -3.905582      1.694829
  H       1.753162     -2.447174      2.673267
  H       1.078220     -0.439541      4.015372
  H      -1.329557      0.029030      4.344076
  H      -7.228434     -7.852113      3.811584
  H      -9.426257     -7.808316      4.839988
  H     -10.775020     -5.698158      4.908713
  H      -9.853289     -3.647402      3.908029
  H      -0.516928     -4.339593      5.220806
  H       0.002685     -2.808348      7.055690
  H      -1.805792     -1.477413      8.160388
  H      -4.160572     -1.827691      7.486274
  N      -4.954135     -4.103749      0.543939
  H      -5.894226     -4.486592      0.424549
  H      -4.332667     -4.620059     -0.080433
  H      -4.978290     -3.123945      0.246396
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.623741995896
  N      -2.609370     -3.596446      1.787443
  C      -2.177719     -4.320044      0.595818
  C      -2.350269     -5.827613      0.789749
  N      -3.373340     -6.170048      1.844679
  C      -4.393715     -7.097449      1.291819
  C      -5.544708     -7.178361      2.251661
  N      -5.970083     -5.823503      2.598282
  Mo     -4.432990     -4.268825      2.765862
  N      -2.960563     -4.778099      4.180676
  C      -1.968397     -5.771830      3.799925
  C      -2.686104     -6.823918      2.999842
  H      -1.526899     -6.232557      4.696493
  H      -1.139422     -5.327943      3.218865
  H      -3.444948     -7.294710      3.634655
  H      -2.005469     -7.605864      2.627404
  H      -6.368771     -7.731644      1.772372
  H      -5.262131     -7.761737      3.146599
  H      -4.731410     -6.706972      0.323079
  H      -3.945210     -8.088871      1.113424
  H      -1.114988     -4.135937      0.409968
  H      -2.665457     -3.936879     -0.314230
  H      -1.395243     -6.237593      1.141184
  H      -2.616518     -6.339777     -0.144057
  C      -1.655289     -2.800126      2.392510
  C      -0.260837     -3.035803      2.246084
  C       0.693846     -2.210392      2.815812
  C       0.321766     -1.089810      3.573698
  C      -1.021155     -0.825821      3.749690
  C      -2.019968     -1.653878      3.185596
  C      -3.401893     -1.405924      3.458906
  O      -4.279838     -2.337109      3.386095
  C      -3.956391     -0.100680      3.870247
  F      -5.096842     -0.268328      4.584426
  S      -3.443585      1.385760      3.466183
  C      -7.203161     -5.765703      3.202417
  C      -7.789581     -6.930921      3.770916
  C      -9.035816     -6.907328      4.370894
  C      -9.791919     -5.724146      4.431286
  C      -9.273725     -4.576884      3.872920
  C      -7.998705     -4.560966      3.250477
  C      -7.496867     -3.357254      2.674509
  O      -6.276832     -3.188373      2.345469
  C      -8.356218     -2.174585      2.384280
  F      -9.604526     -2.532683      1.970673
  S      -7.915424     -0.623001      2.472874
  C      -2.665592     -3.991214      5.265057
  C      -1.336484     -3.828799      5.729177
  C      -1.040976     -2.936495      6.746466
  C      -2.052119     -2.175544      7.358155
  C      -3.368694     -2.373196      6.984916
  C      -3.710291     -3.309490      5.982962
  C      -5.057565     -3.717195      5.713525
  O      -5.388868     -4.293017      4.607844
  C      -6.125670     -3.670439      6.727031
  F      -7.337963     -3.893071      6.156606
  S      -6.022472     -3.482906      8.339550
  H       0.096898     -3.906868      1.699079
  H       1.749233     -2.455889      2.684769
  H       1.075922     -0.451285      4.032758
  H      -1.333889      0.018581      4.359073
  H      -7.231679     -7.863684      3.785054
  H      -9.423338     -7.822735      4.821897
  H     -10.763448     -5.709953      4.924131
  H      -9.840283     -3.650544      3.940104
  H      -0.521999     -4.343909      5.223770
  H      -0.000070     -2.796412      7.042590
  H      -1.804841     -1.443981      8.127481
  H      -4.161220     -1.798844      7.458760
  N      -4.955099     -4.103762      0.532433
  H      -5.904744     -4.464230      0.416801
  H      -4.357867     -4.617008     -0.117648
  H      -4.968966     -3.119555      0.247629
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.624348796725
  N      -2.611837     -3.596141      1.783514
  C      -2.174051     -4.325487      0.597362
  C      -2.340809     -5.832552      0.799839
  N      -3.370338     -6.172766      1.846237
  C      -4.389605     -7.093985      1.282511
  C      -5.546109     -7.176455      2.234396
  N      -5.962203     -5.822158      2.597270
  Mo     -4.433006     -4.270255      2.761001
  N      -2.962676     -4.776808      4.179708
  C      -1.974837     -5.777938      3.808002
  C      -2.694128     -6.828910      3.006474
  H      -1.539835     -6.237506      4.708213
  H      -1.141243     -5.339969      3.228823
  H      -3.459010     -7.296014      3.636688
  H      -2.014232     -7.613580      2.638297
  H      -6.371760     -7.717571      1.744307
  H      -5.273488     -7.771859      3.124417
  H      -4.719027     -6.696669      0.313990
  H      -3.943504     -8.086159      1.102143
  H      -1.111719     -4.142002      0.409686
  H      -2.668191     -3.952085     -0.313127
  H      -1.384666     -6.237689      1.154663
  H      -2.596161     -6.354422     -0.131684
  C      -1.658296     -2.802592      2.394744
  C      -0.264223     -3.042210      2.252698
  C       0.691272     -2.220603      2.827486
  C       0.320281     -1.100888      3.586863
  C      -1.022504     -0.834060      3.759246
  C      -2.021927     -1.657393      3.189499
  C      -3.404304     -1.407198      3.459967
  O      -4.284086     -2.335274      3.374314
  C      -3.955929     -0.104122      3.881511
  F      -5.091874     -0.275260      4.602421
  S      -3.443635      1.382858      3.480139
  C      -7.198002     -5.768409      3.199152
  C      -7.787285     -6.939019      3.753787
  C      -9.031822     -6.920041      4.357736
  C      -9.785361     -5.736749      4.436609
  C      -9.266419     -4.584409      3.889233
  C      -7.994255     -4.564281      3.261434
  C      -7.497438     -3.356975      2.687629
  O      -6.280654     -3.193446      2.343774
  C      -8.353069     -2.168639      2.411037
  F      -9.612356     -2.515579      2.022725
  S      -7.896259     -0.620415      2.483644
  C      -2.668637     -3.985399      5.260374
  C      -1.340232     -3.824915      5.727477
  C      -1.043369     -2.921263      6.734272
  C      -2.052666     -2.147551      7.333067
  C      -3.369445     -2.347024      6.961569
  C      -3.712267     -3.294983      5.971214
  C      -5.058821     -3.708829      5.706975
  O      -5.390601     -4.290446      4.604504
  C      -6.121652     -3.663430      6.725792
  F      -7.333047     -3.917791      6.166949
  S      -6.014150     -3.443868      8.334131
  H       0.095464     -3.912344      1.705746
  H       1.746055     -2.469886      2.698718
  H       1.075101     -0.465969      4.049824
  H      -1.336099      0.008101      4.371395
  H      -7.235065     -7.875083      3.756823
  H      -9.419924     -7.840680      4.797545
  H     -10.754802     -5.726852      4.933594
  H      -9.830104     -3.657361      3.968279
  H      -0.526064     -4.349048      5.230848
  H      -0.002445     -2.781841      7.030581
  H      -1.803626     -1.404710      8.090852
  H      -4.161603     -1.765131      7.426739
  N      -4.958765     -4.102900      0.524005
  H      -5.916878     -4.442653      0.414506
  H      -4.385020     -4.612112     -0.149542
  H      -4.959523     -3.114373      0.252828
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.624867868672
  N      -2.613167     -3.594392      1.778577
  C      -2.169305     -4.330091      0.599451
  C      -2.330006     -5.838441      0.810600
  N      -3.366853     -6.175324      1.847996
  C      -4.385015     -7.089309      1.272040
  C      -5.548416     -7.173522      2.214212
  N      -5.953608     -5.820012      2.595810
  Mo     -4.433279     -4.270290      2.755304
  N      -2.965273     -4.777480      4.181355
  C      -1.982435     -5.785309      3.817034
  C      -2.703672     -6.834309      3.013713
  H      -1.554305     -6.245600      4.720265
  H      -1.143707     -5.353396      3.240724
  H      -3.475541     -7.296289      3.639137
  H      -2.024815     -7.622310      2.650589
  H      -6.376526     -7.699275      1.712178
  H      -5.286822     -7.782820      3.098105
  H      -4.704973     -6.684378      0.303722
  H      -3.940008     -8.081533      1.089171
  H      -1.108106     -4.146961      0.405217
  H      -2.673450     -3.967478     -0.310132
  H      -1.373199     -6.240810      1.167390
  H      -2.575575     -6.366590     -0.120150
  C      -1.659911     -2.805151      2.397010
  C      -0.266439     -3.049100      2.259259
  C       0.690278     -2.231379      2.838323
  C       0.319953     -1.112144      3.598539
  C      -1.022618     -0.842283      3.767432
  C      -2.023070     -1.660778      3.192576
  C      -3.405737     -1.407954      3.460613
  O      -4.287841     -2.333175      3.362844
  C      -3.954767     -0.108142      3.892121
  F      -5.089535     -0.282293      4.615129
  S      -3.441069      1.380567      3.498745
  C      -7.192645     -5.770023      3.195194
  C      -7.782692     -6.945679      3.737610
  C      -9.024532     -6.932654      4.347714
  C      -9.775721     -5.749807      4.445801
  C      -9.257591     -4.592608      3.907546
  C      -7.989740     -4.567174      3.271185
  C      -7.499282     -3.355669      2.698885
  O      -6.285266     -3.196011      2.342778
  C      -8.351820     -2.163590      2.433664
  F      -9.622665     -2.500198      2.075936
  S      -7.880033     -0.618453      2.487614
  C      -2.672030     -3.980412      5.256865
  C      -1.344921     -3.823116      5.729297
  C      -1.047506     -2.907392      6.724862
  C      -2.055061     -2.119157      7.307952
  C      -3.371726     -2.319876      6.936934
  C      -3.715066     -3.280390      5.959029
  C      -5.060725     -3.700744      5.700052
  O      -5.394243     -4.287738      4.601279
  C      -6.118318     -3.658535      6.724790
  F      -7.327181     -3.948898      6.178048
  S      -6.007894     -3.403561      8.327473
  H       0.092875     -3.918932      1.711712
  H       1.744522     -2.483997      2.711917
  H       1.075154     -0.480257      4.065047
  H      -1.336302     -0.001593      4.381634
  H      -7.235157     -7.884379      3.729501
  H      -9.410917     -7.858789      4.777403
  H     -10.742014     -5.744029      4.948884
  H      -9.818648     -3.665376      3.999258
  H      -0.531278     -4.358358      5.243721
  H      -0.006963     -2.769334      7.023078
  H      -1.804456     -1.364103      8.052959
  H      -4.163553     -1.728834      7.390921
  N      -4.964832     -4.100406      0.514633
  H      -5.930072     -4.421297      0.411908
  H      -4.411210     -4.604900     -0.178222
  H      -4.950443     -3.108001      0.257680
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.625281699473
  N      -2.613963     -3.592072      1.774701
  C      -2.166081     -4.334363      0.602710
  C      -2.319602     -5.841379      0.822321
  N      -3.364160     -6.176072      1.850619
  C      -4.381111     -7.082933      1.261858
  C      -5.551289     -7.170997      2.194506
  N      -5.947362     -5.819470      2.595902
  Mo     -4.434211     -4.270371      2.750359
  N      -2.966531     -4.778819      4.184277
  C      -1.988597     -5.791701      3.824168
  C      -2.713011     -6.838607      3.020253
  H      -1.565775     -6.253906      4.729198
  H      -1.145468     -5.365188      3.250261
  H      -3.491268     -7.294244      3.642387
  H      -2.036268     -7.630568      2.661658
  H      -6.381729     -7.681287      1.680972
  H      -5.298786     -7.794767      3.070878
  H      -4.692142     -6.669948      0.294158
  H      -3.935543     -8.074195      1.075091
  H      -1.106662     -4.150794      0.398863
  H      -2.680986     -3.983074     -0.304582
  H      -1.362577     -6.241258      1.181428
  H      -2.556056     -6.371989     -0.109505
  C      -1.660661     -2.808350      2.400572
  C      -0.267638     -3.056906      2.268607
  C       0.689625     -2.243145      2.852487
  C       0.318817     -1.124052      3.612797
  C      -1.023619     -0.850928      3.777218
  C      -2.024608     -1.664809      3.196663
  C      -3.407479     -1.408822      3.460291
  O      -4.292735     -2.331004      3.352093
  C      -3.954347     -0.111525      3.897967
  F      -5.093523     -0.286180      4.614910
  S      -3.435406      1.379044      3.517038
  C      -7.189064     -5.771949      3.193678
  C      -7.779562     -6.951386      3.726273
  C      -9.019730     -6.943579      4.340494
  C      -9.769134     -5.761116      4.452057
  C      -9.251715     -4.600508      3.920329
  C      -7.986570     -4.570133      3.278688
  C      -7.502009     -3.355280      2.706857
  O      -6.290127     -3.197195      2.341785
  C      -8.354142     -2.162748      2.450018
  F      -9.633985     -2.493875      2.121085
  S      -7.871684     -0.619547      2.479572
  C      -2.672198     -3.975290      5.252853
  C      -1.346041     -3.821130      5.729623
  C      -1.047880     -2.894549      6.714641
  C      -2.053576     -2.093452      7.283884
  C      -3.370399     -2.295004      6.914018
  C      -3.714571     -3.266480      5.947280
  C      -5.059181     -3.693857      5.694991
  O      -5.396238     -4.286800      4.600588
  C      -6.110195     -3.655431      6.727406
  F      -7.314929     -3.989345      6.196580
  S      -5.996099     -3.359555      8.322354
  H       0.089376     -3.927455      1.720794
  H       1.743659     -2.498426      2.730017
  H       1.073645     -0.494859      4.083592
  H      -1.337019     -0.011083      4.392781
  H      -7.235180     -7.891725      3.709054
  H      -9.404419     -7.874157      4.761959
  H     -10.733430     -5.758005      4.958972
  H      -9.811625     -3.673490      4.020275
  H      -0.533779     -4.367609      5.254253
  H      -0.007731     -2.757930      7.014888
  H      -1.801002     -1.327736      8.017163
  H      -4.161495     -1.695593      7.358158
  N      -4.973262     -4.096198      0.506723
  H      -5.944907     -4.398963      0.411257
  H      -4.438590     -4.595844     -0.205729
  H      -4.943227     -3.100061      0.265112
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.625624058255
  N      -2.613133     -3.587856      1.771941
  C      -2.161507     -4.334856      0.606148
  C      -2.308169     -5.843723      0.834790
  N      -3.362150     -6.176159      1.852474
  C      -4.377906     -7.075450      1.250375
  C      -5.554887     -7.167553      2.173908
  N      -5.942895     -5.819181      2.595008
  Mo     -4.434610     -4.270569      2.744569
  N      -2.970307     -4.781731      4.187196
  C      -1.997614     -5.800948      3.832717
  C      -2.724875     -6.843485      3.026427
  H      -1.582760     -6.265877      4.740312
  H      -1.148324     -5.380662      3.263521
  H      -3.511163     -7.290501      3.644713
  H      -2.051904     -7.641232      2.673533
  H      -6.387624     -7.662466      1.649465
  H      -5.310278     -7.805807      3.041988
  H      -4.679140     -6.654866      0.283039
  H      -3.932054     -8.065918      1.060129
  H      -1.104499     -4.149803      0.389876
  H      -2.689570     -3.996652     -0.298256
  H      -1.352090     -6.242671      1.197262
  H      -2.536572     -6.374276     -0.099312
  C      -1.659531     -2.809837      2.404363
  C      -0.267005     -3.060911      2.275081
  C       0.690362     -2.250453      2.863083
  C       0.318533     -1.133200      3.625816
  C      -1.023893     -0.858335      3.788301
  C      -2.024944     -1.668112      3.202060
  C      -3.408105     -1.410358      3.460896
  O      -4.296025     -2.330224      3.342950
  C      -3.954650     -0.115502      3.902298
  F      -5.102243     -0.290517      4.606508
  S      -3.428510      1.377684      3.539153
  C      -7.185308     -5.773172      3.193420
  C      -7.773811     -6.955591      3.720205
  C      -9.010161     -6.951679      4.342492
  C      -9.756181     -5.768546      4.467571
  C      -9.241458     -4.605455      3.938614
  C      -7.981504     -4.571479      3.286594
  C      -7.501992     -3.355762      2.711028
  O      -6.291496     -3.199376      2.339128
  C      -8.354124     -2.164885      2.455109
  F      -9.642585     -2.492343      2.157569
  S      -7.864264     -0.622879      2.455311
  C      -2.674488     -3.973036      5.250087
  C      -1.349643     -3.823848      5.732520
  C      -1.050751     -2.887409      6.707636
  C      -2.053956     -2.072516      7.262066
  C      -3.370939     -2.272776      6.892243
  C      -3.716379     -3.254935      5.936628
  C      -5.059562     -3.689265      5.690112
  O      -5.398616     -4.288372      4.600259
  C      -6.106365     -3.656924      6.728510
  F      -7.302432     -4.040784      6.212414
  S      -5.996038     -3.312734      8.313496
  H       0.086269     -3.931174      1.724318
  H       1.744544     -2.505976      2.742672
  H       1.072689     -0.506255      4.100729
  H      -1.336385     -0.020432      4.406950
  H      -7.230220     -7.896205      3.692910
  H      -9.392109     -7.885358      4.759419
  H     -10.716610     -5.766335      4.981834
  H      -9.800166     -3.678961      4.047852
  H      -0.539330     -4.381789      5.267261
  H      -0.011175     -2.752979      7.010872
  H      -1.798865     -1.296604      7.983569
  H      -4.160304     -1.663440      7.325530
  N      -4.983348     -4.090000      0.492736
  H      -5.960285     -4.375895      0.402607
  H      -4.462753     -4.584091     -0.233667
  H      -4.938624     -3.090751      0.266506
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.625894203796
  N      -2.611501     -3.584599      1.771910
  C      -2.159770     -4.335954      0.610499
  C      -2.298723     -5.840385      0.845993
  N      -3.361713     -6.173762      1.854044
  C      -4.376144     -7.067170      1.239845
  C      -5.558313     -7.165509      2.156407
  N      -5.942167     -5.821420      2.594957
  Mo     -4.435441     -4.271950      2.739810
  N      -2.971798     -4.784767      4.189623
  C      -2.003536     -5.808640      3.837957
  C      -2.734642     -6.846849      3.029697
  H      -1.594320     -6.276642      4.746777
  H      -1.149580     -5.392703      3.272463
  H      -3.527115     -7.286117      3.645645
  H      -2.066460     -7.650053      2.680169
  H      -6.392094     -7.648951      1.623016
  H      -5.318153     -7.816464      3.016152
  H      -4.669857     -6.639757      0.273355
  H      -3.929341     -8.056408      1.045414
  H      -1.105949     -4.147616      0.380253
  H      -2.699201     -4.009483     -0.289409
  H      -1.344248     -6.238222      1.213262
  H      -2.519939     -6.368436     -0.091388
  C      -1.657900     -2.812069      2.409871
  C      -0.265548     -3.065578      2.283965
  C       0.690859     -2.258816      2.877751
  C       0.317215     -1.144176      3.643810
  C      -1.025257     -0.867333      3.803521
  C      -2.025659     -1.672608      3.209958
  C      -3.409352     -1.412660      3.460778
  O      -4.300037     -2.330104      3.334567
  C      -3.955948     -0.118305      3.901332
  F      -5.117301     -0.291241      4.583662
  S      -3.417680      1.376657      3.560884
  C      -7.183535     -5.775944      3.196214
  C      -7.770593     -6.960150      3.719808
  C      -9.004188     -6.957943      4.347760
  C      -9.747295     -5.773736      4.480265
  C      -9.234910     -4.609570      3.951661
  C      -7.978271     -4.573652      3.293236
  C      -7.503116     -3.358593      2.712132
  O      -6.293943     -3.201235      2.335473
  C      -8.359054     -2.172443      2.452867
  F      -9.652392     -2.502682      2.180444
  S      -7.868657     -0.630311      2.419586
  C      -2.673287     -3.970859      5.246223
  C      -1.349005     -3.825711      5.731974
  C      -1.048678     -2.881662      6.698866
  C      -2.049288     -2.056069      7.242477
  C      -3.366782     -2.254196      6.873337
  C      -3.714446     -3.244418      5.926642
  C      -5.056194     -3.685120      5.686400
  O      -5.397074     -4.291815      4.601329
  C      -6.098903     -3.655701      6.730242
  F      -7.282569     -4.098368      6.233522
  S      -5.996390     -3.251755      8.301287
  H       0.083574     -3.935704      1.730419
  H       1.745479     -2.514048      2.760649
  H       1.070262     -0.520311      4.124561
  H      -1.337015     -0.031950      4.425872
  H      -7.226549     -7.900226      3.684503
  H      -9.384775     -7.893060      4.762540
  H     -10.705083     -5.770955      4.999525
  H      -9.793639     -3.683660      4.065894
  H      -0.541220     -4.393282      5.274006
  H      -0.009482     -2.749209      7.004346
  H      -1.791243     -1.272891      7.954961
  H      -4.153923     -1.636926      7.299199
  N      -4.992360     -4.081615      0.482815
  H      -5.974766     -4.349579      0.398641
  H      -4.488808     -4.569546     -0.263071
  H      -4.934038     -3.079026      0.274288
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626199549499
  N      -2.607761     -3.583175      1.775613
  C      -2.159771     -4.335658      0.614503
  C      -2.289528     -5.837739      0.855680
  N      -3.361931     -6.171974      1.854079
  C      -4.374600     -7.060305      1.228183
  C      -5.561255     -7.164238      2.138953
  N      -5.942668     -5.824395      2.591103
  Mo     -4.435360     -4.275177      2.734229
  N      -2.975052     -4.790074      4.191606
  C      -2.010938     -5.819372      3.844517
  C      -2.744960     -6.851725      3.031456
  H      -1.609310     -6.290755      4.755057
  H      -1.151380     -5.407433      3.284593
  H      -3.543842     -7.284336      3.643830
  H      -2.081891     -7.660142      2.684444
  H      -6.395146     -7.639336      1.598097
  H      -5.324723     -7.825513      2.991758
  H      -4.661454     -6.626815      0.262564
  H      -3.927639     -8.048797      1.030413
  H      -1.112621     -4.132035      0.365094
  H      -2.715293     -4.018039     -0.278616
  H      -1.337858     -6.236123      1.229206
  H      -2.505930     -6.364128     -0.083994
  C      -1.654450     -2.814299      2.416297
  C      -0.262215     -3.066962      2.287908
  C       0.693256     -2.262816      2.886031
  C       0.318110     -1.153621      3.659508
  C      -1.024461     -0.877284      3.820707
  C      -2.024248     -1.678180      3.220357
  C      -3.408852     -1.417520      3.464233
  O      -4.301133     -2.333252      3.329502
  C      -3.956301     -0.123712      3.904533
  F      -5.131129     -0.296029      4.563893
  S      -3.404149      1.373072      3.592818
  C      -7.180432     -5.779576      3.198565
  C      -7.764380     -6.965090      3.722338
  C      -8.992189     -6.962783      4.361329
  C      -9.730632     -5.776791      4.504266
  C      -9.222435     -4.611866      3.973265
  C      -7.972547     -4.575911      3.301999
  C      -7.502035     -3.362961      2.712008
  O      -6.294171     -3.204815      2.330496
  C      -8.362041     -2.181736      2.445051
  F      -9.658802     -2.515572      2.193730
  S      -7.872885     -0.639852      2.376353
  C      -2.675784     -3.972739      5.244311
  C      -1.352714     -3.832186      5.735182
  C      -1.051228     -2.879979      6.693286
  C      -2.049034     -2.041813      7.223002
  C      -3.366714     -2.236870      6.852910
  C      -3.716759     -3.237019      5.917315
  C      -5.057122     -3.682459      5.680321
  O      -5.395699     -4.297448      4.599444
  C      -6.100865     -3.654561      6.724300
  F      -7.270212     -4.145258      6.239596
  S      -6.020855     -3.180781      8.276925
  H       0.083500     -3.934538      1.728239
  H       1.748466     -2.515237      2.768076
  H       1.070492     -0.532978      4.145492
  H      -1.335563     -0.046823      4.449847
  H      -7.219607     -7.904403      3.677489
  H      -9.370881     -7.898250      4.776961
  H     -10.683041     -5.772713      5.033407
  H      -9.779666     -3.686208      4.095740
  H      -0.546990     -4.408690      5.284854
  H      -0.012576     -2.749223      7.001397
  H      -1.788016     -1.249976      7.924712
  H      -4.151046     -1.609403      7.268473
  N      -4.996869     -4.068527      0.468751
  H      -5.984614     -4.317814      0.390745
  H      -4.510259     -4.548489     -0.290604
  H      -4.926083     -3.062799      0.279717
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626352485956
  N      -2.603775     -3.584386      1.784335
  C      -2.165092     -4.335990      0.619133
  C      -2.282094     -5.836420      0.866524
  N      -3.362632     -6.169920      1.858479
  C      -4.373216     -7.056512      1.225255
  C      -5.562498     -7.164070      2.132938
  N      -5.944761     -5.827325      2.590609
  Mo     -4.434232     -4.278171      2.732878
  N      -2.976286     -4.791770      4.195226
  C      -2.015262     -5.826224      3.853570
  C      -2.751675     -6.854093      3.037212
  H      -1.619802     -6.298806      4.766072
  H      -1.151497     -5.417384      3.297687
  H      -3.554622     -7.281861      3.647622
  H      -2.093454     -7.666760      2.691211
  H      -6.395117     -7.637015      1.587814
  H      -5.327725     -7.830472      2.982191
  H      -4.655970     -6.619904      0.260031
  H      -3.926516     -8.044884      1.026542
  H      -1.129629     -4.102314      0.345696
  H      -2.742016     -4.025482     -0.264045
  H      -1.333338     -6.234058      1.247791
  H      -2.496050     -6.364958     -0.072640
  C      -1.650294     -2.815493      2.420996
  C      -0.258467     -3.065924      2.284084
  C       0.697232     -2.262339      2.882098
  C       0.322654     -1.158399      3.663573
  C      -1.019656     -0.883400      3.830794
  C      -2.020190     -1.681584      3.228363
  C      -3.405870     -1.420611      3.466998
  O      -4.298317     -2.335948      3.327925
  C      -3.954785     -0.125522      3.902762
  F      -5.148849     -0.296105      4.527201
  S      -3.395577      1.371951      3.605789
  C      -7.179994     -5.782548      3.200435
  C      -7.764371     -6.968786      3.722670
  C      -8.991662     -6.965174      4.362129
  C      -9.728420     -5.778082      4.505489
  C      -9.220827     -4.612932      3.974296
  C      -7.971135     -4.577981      3.303135
  C      -7.500475     -3.367703      2.708780
  O      -6.292182     -3.207679      2.328610
  C      -8.364072     -2.191130      2.431427
  F      -9.667385     -2.527757      2.220646
  S      -7.882000     -0.647416      2.348422
  C      -2.676078     -3.972678      5.245487
  C      -1.353577     -3.837859      5.739982
  C      -1.049333     -2.882040      6.693287
  C      -2.043806     -2.034865      7.214996
  C      -3.361903     -2.224625      6.843630
  C      -3.715820     -3.229440      5.914349
  C      -5.055449     -3.676046      5.678312
  O      -5.390221     -4.299555      4.600909
  C      -6.101733     -3.644823      6.719955
  F      -7.239159     -4.228874      6.264526
  S      -6.035188     -3.137175      8.262485
  H       0.083825     -3.930888      1.718190
  H       1.752798     -2.510956      2.759129
  H       1.075939     -0.540248      4.151364
  H      -1.329017     -0.057608      4.466746
  H      -7.217978     -7.906989      3.673485
  H      -9.372554     -7.899841      4.777556
  H     -10.680430     -5.773123      5.035408
  H      -9.778681     -3.687569      4.097334
  H      -0.550162     -4.420713      5.293701
  H      -0.010888     -2.754622      7.003482
  H      -1.779326     -1.238887      7.910705
  H      -4.143025     -1.590024      7.254160
  N      -4.998666     -4.053671      0.456803
  H      -5.991304     -4.285621      0.388063
  H      -4.526099     -4.528362     -0.310545
  H      -4.919034     -3.045576      0.285191
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626521557188
  N      -2.605070     -3.586620      1.792327
  C      -2.176079     -4.334124      0.619780
  C      -2.279469     -5.834158      0.869217
  N      -3.363458     -6.167554      1.859902
  C      -4.372320     -7.054918      1.224522
  C      -5.561270     -7.165052      2.132766
  N      -5.946369     -5.829857      2.590474
  Mo     -4.434299     -4.280634      2.734430
  N      -2.975647     -4.790894      4.195624
  C      -2.014974     -5.827138      3.856199
  C      -2.751949     -6.853457      3.038305
  H      -1.621109     -6.299278      4.769346
  H      -1.150608     -5.418006      3.301166
  H      -3.554726     -7.281972      3.648355
  H      -2.095349     -7.666423      2.690118
  H      -6.392116     -7.640831      1.587030
  H      -5.325888     -7.831959      2.981443
  H      -4.655628     -6.616500      0.260337
  H      -3.925852     -8.043145      1.024888
  H      -1.152781     -4.067887      0.329603
  H      -2.771485     -4.026764     -0.253340
  H      -1.331482     -6.227635      1.256452
  H      -2.491267     -6.368361     -0.067134
  C      -1.650679     -2.816168      2.422335
  C      -0.259671     -3.065596      2.275351
  C       0.697986     -2.263080      2.871880
  C       0.326677     -1.163288      3.660825
  C      -1.014878     -0.888823      3.835662
  C      -2.017707     -1.684572      3.234261
  C      -3.403945     -1.423300      3.472452
  O      -4.295435     -2.338703      3.331535
  C      -3.952174     -0.127239      3.908122
  F      -5.145194     -0.298113      4.534502
  S      -3.379360      1.369472      3.635096
  C      -7.179298     -5.787583      3.202939
  C      -7.763129     -6.975569      3.723040
  C      -8.989258     -6.972501      4.364029
  C      -9.725748     -5.785815      4.511413
  C      -9.219878     -4.619058      3.981792
  C      -7.971493     -4.583504      3.308613
  C      -7.501093     -3.373709      2.713610
  O      -6.292669     -3.211877      2.334071
  C      -8.365826     -2.198636      2.429715
  F      -9.660638     -2.542377      2.181885
  S      -7.876537     -0.661417      2.289066
  C      -2.675869     -3.973608      5.247166
  C      -1.353029     -3.841295      5.741878
  C      -1.046904     -2.887780      6.696826
  C      -2.040347     -2.040820      7.220822
  C      -3.358734     -2.227517      6.848882
  C      -3.714737     -3.229575      5.917528
  C      -5.053960     -3.675195      5.679740
  O      -5.384685     -4.302381      4.602809
  C      -6.103393     -3.638534      6.717265
  F      -7.242575     -4.217584      6.259662
  S      -6.065751     -3.054393      8.233680
  H       0.080571     -3.928138      1.704433
  H       1.753172     -2.509908      2.742043
  H       1.082517     -0.547897      4.148157
  H      -1.321999     -0.066508      4.477166
  H      -7.215816     -7.912949      3.669648
  H      -9.371227     -7.907224      4.778469
  H     -10.676500     -5.782644      5.043593
  H      -9.777672     -3.694261      4.108672
  H      -0.550113     -4.423776      5.294123
  H      -0.008341     -2.762675      7.007472
  H      -1.774654     -1.246822      7.918359
  H      -4.139002     -1.593988      7.262897
  N      -5.000746     -4.041290      0.450926
  H      -5.996286     -4.263386      0.392395
  H      -4.534841     -4.515287     -0.320417
  H      -4.918702     -3.031960      0.289244
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626505767646
  N      -2.605981     -3.589800      1.789775
  C      -2.174603     -4.337491      0.617624
  C      -2.276277     -5.836259      0.866284
  N      -3.360261     -6.168669      1.857247
  C      -4.368434     -7.056365      1.222251
  C      -5.557803     -7.165460      2.129788
  N      -5.943628     -5.829028      2.584902
  Mo     -4.433786     -4.280350      2.731567
  N      -2.976262     -4.788190      4.192653
  C      -2.014240     -5.823791      3.854478
  C      -2.748984     -6.852449      3.036993
  H      -1.620425     -6.294492      4.768321
  H      -1.150239     -5.414197      3.299232
  H      -3.551349     -7.283151      3.646089
  H      -2.089896     -7.663783      2.689547
  H      -6.387678     -7.642830      1.584111
  H      -5.323389     -7.830434      2.980285
  H      -4.651986     -6.617639      0.258141
  H      -3.921910     -8.044634      1.023001
  H      -1.149387     -4.074347      0.332619
  H      -2.767083     -4.031237     -0.256047
  H      -1.327271     -6.223539      1.257314
  H      -2.482722     -6.375253     -0.068327
  C      -1.651550     -2.818976      2.420054
  C      -0.260685     -3.071552      2.276423
  C       0.697741     -2.269932      2.873422
  C       0.327618     -1.167450      3.659064
  C      -1.013665     -0.890250      3.830849
  C      -2.017150     -1.685789      3.230331
  C      -3.403284     -1.422789      3.468250
  O      -4.294682     -2.337601      3.327212
  C      -3.949948     -0.126454      3.905011
  F      -5.139359     -0.296804      4.538356
  S      -3.377818      1.368951      3.625607
  C      -7.177192     -5.787934      3.197510
  C      -7.760814     -6.975772      3.718592
  C      -8.984964     -6.972394      4.363420
  C      -9.720492     -5.785727      4.515427
  C      -9.214733     -4.618718      3.986199
  C      -7.968695     -4.583723      3.308593
  C      -7.499769     -3.373072      2.714147
  O      -6.292045     -3.212803      2.332127
  C      -8.362442     -2.194622      2.437232
  F      -9.669514     -2.527611      2.245109
  S      -7.879899     -0.650982      2.357021
  C      -2.680006     -3.972164      5.246432
  C      -1.357732     -3.837160      5.742089
  C      -1.054094     -2.884449      6.698702
  C      -2.049581     -2.039568      7.222215
  C      -3.367024     -2.227681      6.847624
  C      -3.720728     -3.230201      5.915908
  C      -5.059784     -3.676539      5.674989
  O      -5.386959     -4.302334      4.596256
  C      -6.112889     -3.643551      6.708551
  F      -7.261256     -4.189185      6.232156
  S      -6.087305     -3.049305      8.221415
  H       0.080702     -3.935710      1.708745
  H       1.752413     -2.520031      2.745731
  H       1.084111     -0.552377      4.145762
  H      -1.320993     -0.065107      4.468696
  H      -7.215731     -7.914325      3.664876
  H      -9.366234     -7.907367      4.777992
  H     -10.669594     -5.783255      5.050495
  H      -9.770638     -3.693216      4.115712
  H      -0.552758     -4.417163      5.294837
  H      -0.015950     -2.758121      7.010242
  H      -1.786423     -1.246213      7.921483
  H      -4.148800     -1.595290      7.260157
  N      -4.997366     -4.045314      0.448471
  H      -5.992295     -4.270183      0.391382
  H      -4.528165     -4.524063     -0.322628
  H      -4.916754     -3.036751      0.281354
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626692719844
  N      -2.609081     -3.590067      1.786602
  C      -2.173638     -4.339467      0.617014
  C      -2.275324     -5.837515      0.866334
  N      -3.359014     -6.168449      1.856844
  C      -4.367439     -7.054214      1.220904
  C      -5.558071     -7.161640      2.126425
  N      -5.941602     -5.823995      2.582412
  Mo     -4.434873     -4.276855      2.731087
  N      -2.978450     -4.784541      4.192272
  C      -2.016821     -5.820832      3.855260
  C      -2.750332     -6.850995      3.038279
  H      -1.624000     -6.290923      4.769888
  H      -1.152318     -5.412513      3.300126
  H      -3.553542     -7.282249      3.645925
  H      -2.089283     -7.661605      2.692647
  H      -6.388228     -7.636757      1.579512
  H      -5.326301     -7.826930      2.977421
  H      -4.649719     -6.613907      0.257033
  H      -3.921439     -8.042627      1.021194
  H      -1.144152     -4.088807      0.337420
  H      -2.761960     -4.035758     -0.258231
  H      -1.324708     -6.218252      1.260090
  H      -2.475742     -6.380903     -0.066926
  C      -1.653756     -2.820129      2.418618
  C      -0.263174     -3.076473      2.278997
  C       0.696680     -2.275774      2.875412
  C       0.328207     -1.169529      3.656357
  C      -1.012695     -0.889118      3.824962
  C      -2.017366     -1.684532      3.226198
  C      -3.402942     -1.419492      3.465693
  O      -4.295259     -2.333088      3.324425
  C      -3.947374     -0.123676      3.905496
  F      -5.136300     -0.293508      4.540027
  S      -3.383430      1.371090      3.608092
  C      -7.176775     -5.783937      3.194073
  C      -7.760005     -6.972494      3.713638
  C      -8.981714     -6.970632      4.363272
  C      -9.715443     -5.784093      4.523738
  C      -9.210153     -4.616012      3.996380
  C      -7.967728     -4.579886      3.311621
  C      -7.499990     -3.367175      2.718945
  O      -6.292749     -3.210125      2.333834
  C      -8.357718     -2.184005      2.448636
  F      -9.661247     -2.511464      2.225556
  S      -7.863401     -0.644502      2.359377
  C      -2.684198     -3.969101      5.247186
  C      -1.362430     -3.832668      5.743853
  C      -1.060165     -2.878956      6.699927
  C      -2.056409     -2.032889      7.220175
  C      -3.373224     -2.221982      6.843886
  C      -3.725897     -3.227428      5.914889
  C      -5.065141     -3.675612      5.673557
  O      -5.390887     -4.299588      4.593465
  C      -6.118919     -3.650626      6.706669
  F      -7.252403     -4.235062      6.239853
  S      -6.081178     -3.112681      8.240221
  H       0.078562     -3.942791      1.714929
  H       1.750675     -2.529844      2.750122
  H       1.085492     -0.554215      4.141505
  H      -1.319614     -0.060159      4.458103
  H      -7.217694     -7.912489      3.657763
  H      -9.361260     -7.907058      4.776157
  H     -10.661876     -5.782882      5.063463
  H      -9.763160     -3.690069      4.132271
  H      -0.556295     -4.412448      5.298475
  H      -0.022212     -2.751876      7.011811
  H      -1.794608     -1.238143      7.918395
  H      -4.155542     -1.587929      7.252236
  N      -4.999242     -4.048577      0.449171
  H      -5.993455     -4.276279      0.392984
  H      -4.529126     -4.531231     -0.322040
  H      -4.918194     -3.041082      0.275538
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626798540422
  N      -2.611187     -3.590274      1.790440
  C      -2.181285     -4.338799      0.618543
  C      -2.273742     -5.837244      0.873347
  N      -3.358403     -6.168182      1.863398
  C      -4.366420     -7.054002      1.226663
  C      -5.557378     -7.162262      2.131668
  N      -5.941115     -5.825555      2.589541
  Mo     -4.434426     -4.276973      2.736889
  N      -2.975241     -4.782516      4.196236
  C      -2.015278     -5.820987      3.860753
  C      -2.750097     -6.850817      3.045066
  H      -1.623262     -6.290259      4.776131
  H      -1.150223     -5.414455      3.305322
  H      -3.553547     -7.280496      3.653431
  H      -2.090303     -7.662587      2.699832
  H      -6.387415     -7.636648      1.583824
  H      -5.326005     -7.828770      2.981709
  H      -4.648312     -6.613287      0.262983
  H      -3.920379     -8.042321      1.026716
  H      -1.157624     -4.077540      0.326367
  H      -2.781644     -4.040169     -0.251438
  H      -1.322358     -6.212099      1.270936
  H      -2.471475     -6.385380     -0.057730
  C      -1.654002     -2.819130      2.417570
  C      -0.264010     -3.074196      2.270802
  C       0.697729     -2.272480      2.862766
  C       0.331687     -1.166978      3.645903
  C      -1.008710     -0.887521      3.820629
  C      -2.015255     -1.683405      3.225803
  C      -3.400524     -1.418679      3.468211
  O      -4.293005     -2.332404      3.328555
  C      -3.944278     -0.122307      3.907539
  F      -5.128261     -0.291840      4.551294
  S      -3.374499      1.372230      3.619780
  C      -7.178514     -5.786390      3.196166
  C      -7.765836     -6.976929      3.706332
  C      -8.994772     -6.978079      4.342232
  C      -9.732646     -5.793134      4.495441
  C      -9.223403     -4.623355      3.975831
  C      -7.972170     -4.583841      3.308037
  C      -7.500795     -3.369622      2.722882
  O      -6.291982     -3.210998      2.342499
  C      -8.359243     -2.187947      2.451227
  F      -9.661984     -2.518449      2.228329
  S      -7.863530     -0.650374      2.337878
  C      -2.678385     -3.966537      5.249669
  C      -1.355856     -3.832360      5.744945
  C      -1.051185     -2.879960      6.701510
  C      -2.046128     -2.034483      7.225268
  C      -3.363726     -2.222095      6.851033
  C      -3.718252     -3.223833      5.918886
  C      -5.057035     -3.673176      5.681016
  O      -5.384562     -4.299112      4.602033
  C      -6.106254     -3.645003      6.718141
  F      -7.235015     -4.250406      6.267186
  S      -6.071442     -3.069365      8.237959
  H       0.075364     -3.939984      1.704366
  H       1.751449     -2.525186      2.732447
  H       1.090667     -0.551319      4.127964
  H      -1.313463     -0.059076      4.455462
  H      -7.222405     -7.916408      3.651427
  H      -9.378369     -7.915947      4.748022
  H     -10.685730     -5.794618      5.023336
  H      -9.780412     -3.698493      4.105047
  H      -0.551033     -4.412764      5.297954
  H      -0.012772     -2.754644      7.012538
  H      -1.782834     -1.241869      7.925323
  H      -4.145575     -1.590266      7.264357
  N      -5.007639     -4.044858      0.451699
  H      -6.003097     -4.268906      0.403398
  H      -4.544936     -4.526714     -0.320090
  H      -4.925021     -3.037188      0.280215
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.626855814777
  N      -2.612797     -3.590708      1.791281
  C      -2.186538     -4.337801      0.617230
  C      -2.267045     -5.835482      0.878065
  N      -3.355700     -6.166936      1.864220
  C      -4.362467     -7.051499      1.223704
  C      -5.555535     -7.160804      2.126007
  N      -5.939836     -5.825046      2.586578
  Mo     -4.434083     -4.276073      2.736259
  N      -2.975644     -4.780150      4.196361
  C      -2.016769     -5.820955      3.864418
  C      -2.750936     -6.850169      3.047420
  H      -1.628245     -6.289902      4.781410
  H      -1.149557     -5.416056      3.311210
  H      -3.556165     -7.279136      3.653884
  H      -2.091133     -7.662607      2.703765
  H      -6.384571     -7.634018      1.575620
  H      -5.326151     -7.829036      2.975158
  H      -4.642107     -6.609009      0.260236
  H      -3.916607     -8.039779      1.023255
  H      -1.168704     -4.065085      0.314651
  H      -2.798342     -4.045833     -0.247336
  H      -1.315494     -6.199254      1.285381
  H      -2.455356     -6.391417     -0.050253
  C      -1.653851     -2.820159      2.416292
  C      -0.264718     -3.077306      2.266255
  C       0.699208     -2.278109      2.858192
  C       0.336155     -1.173686      3.644235
  C      -1.003523     -0.892015      3.821356
  C      -2.012231     -1.684877      3.226284
  C      -3.397475     -1.418208      3.468253
  O      -4.290689     -2.330763      3.327276
  C      -3.940481     -0.120866      3.906169
  F      -5.137647     -0.288451      4.525481
  S      -3.378262      1.373326      3.602686
  C      -7.176488     -5.787624      3.194891
  C      -7.763436     -6.979440      3.702613
  C      -8.990533     -6.981584      4.341983
  C      -9.726867     -5.796534      4.501699
  C      -9.218379     -4.625415      3.984357
  C      -7.969348     -4.584875      3.312515
  C      -7.499067     -3.369864      2.727998
  O      -6.290517     -3.211780      2.345767
  C      -8.356543     -2.187275      2.458608
  F      -9.661229     -2.515245      2.243535
  S      -7.858018     -0.651120      2.336451
  C      -2.680351     -3.965671      5.251206
  C      -1.358354     -3.833350      5.748529
  C      -1.054112     -2.882832      6.707008
  C      -2.049311     -2.037846      7.231176
  C      -3.366599     -2.223808      6.855014
  C      -3.720777     -3.223250      5.920307
  C      -5.058749     -3.673560      5.680203
  O      -5.382866     -4.299948      4.600254
  C      -6.110403     -3.646568      6.714251
  F      -7.234061     -4.262314      6.263992
  S      -6.094978     -3.032829      8.219411
  H       0.072280     -3.942673      1.697700
  H       1.752295     -2.532330      2.725705
  H       1.097028     -0.560568      4.126554
  H      -1.306091     -0.064314      4.458156
  H      -7.221111     -7.919254      3.643345
  H      -9.373974     -7.920351      4.745849
  H     -10.678175     -5.799238      5.032782
  H      -9.774115     -3.700494      4.118283
  H      -0.553200     -4.413285      5.301450
  H      -0.015991     -2.758844      7.019518
  H      -1.786528     -1.246732      7.933116
  H      -4.148653     -1.592654      7.269058
  N      -5.013100     -4.038772      0.446572
  H      -6.009745     -4.258867      0.407239
  H      -4.557151     -4.521882     -0.326975
  H      -4.928256     -3.031164      0.276318
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627003057407
  N      -2.616866     -3.592761      1.788029
  C      -2.193733     -4.339057      0.612552
  C      -2.254389     -5.834322      0.885322
  N      -3.350267     -6.166154      1.864014
  C      -4.354340     -7.048862      1.217148
  C      -5.552032     -7.158645      2.113569
  N      -5.937705     -5.823668      2.576917
  Mo     -4.434779     -4.273877      2.731397
  N      -2.979545     -4.774266      4.194524
  C      -2.021624     -5.818713      3.870526
  C      -2.752840     -6.848483      3.051363
  H      -1.639926     -6.286069      4.791145
  H      -1.150245     -5.416788      3.321805
  H      -3.561590     -7.276559      3.653722
  H      -2.091381     -7.661605      2.712386
  H      -6.378865     -7.630330      1.558665
  H      -5.326937     -7.828495      2.962502
  H      -4.629106     -6.604371      0.253211
  H      -3.908575     -8.037276      1.017252
  H      -1.183001     -4.053727      0.297473
  H      -2.820437     -4.059875     -0.245075
  H      -1.303112     -6.175407      1.312228
  H      -2.422630     -6.405816     -0.037208
  C      -1.654860     -2.823651      2.410910
  C      -0.267165     -3.085694      2.258393
  C       0.700382     -2.291115      2.851067
  C       0.342241     -1.186752      3.639450
  C      -0.996270     -0.900161      3.818026
  C      -2.008171     -1.688623      3.222921
  C      -3.392828     -1.417467      3.464193
  O      -4.288066     -2.327043      3.321049
  C      -3.931456     -0.118378      3.902901
  F      -5.118711     -0.282534      4.541661
  S      -3.351745      1.372967      3.619655
  C      -7.172796     -5.788982      3.189352
  C      -7.757733     -6.982228      3.696142
  C      -8.979015     -6.985266      4.346529
  C      -9.711061     -5.799574      4.520551
  C      -9.205084     -4.626749      4.004591
  C      -7.963206     -4.585372      3.319325
  C      -7.496399     -3.369214      2.733336
  O      -6.288727     -3.213278      2.346109
  C      -8.351570     -2.184502      2.468144
  F      -9.661578     -2.505368      2.275607
  S      -7.849513     -0.649166      2.346693
  C      -2.689165     -3.960965      5.251508
  C      -1.368643     -3.828622      5.752919
  C      -1.067268     -2.878524      6.712569
  C      -2.064278     -2.033499      7.233404
  C      -3.380401     -2.218898      6.852800
  C      -3.732252     -3.218822      5.917672
  C      -5.068592     -3.672648      5.672806
  O      -5.384450     -4.300328      4.591052
  C      -6.126950     -3.651454      6.699251
  F      -7.233873     -4.299169      6.251004
  S      -6.142400     -3.001393      8.189088
  H       0.066349     -3.951106      1.687819
  H       1.752290     -2.549255      2.716833
  H       1.106055     -0.577392      4.121882
  H      -1.295753     -0.071684      4.455416
  H      -7.218331     -7.923111      3.629353
  H      -9.360483     -7.925276      4.749387
  H     -10.656821     -5.803600      5.061432
  H      -9.756833     -3.701304      4.149216
  H      -0.561662     -4.407531      5.307722
  H      -0.029992     -2.754466      7.027833
  H      -1.803965     -1.242212      7.936081
  H      -4.163511     -1.587194      7.263655
  N      -5.021864     -4.033061      0.434962
  H      -6.019619     -4.249269      0.410526
  H      -4.574866     -4.521619     -0.340513
  H      -4.934234     -3.026342      0.261690
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627156856758
  N      -2.623266     -3.592621      1.784556
  C      -2.202021     -4.341533      0.610359
  C      -2.243454     -5.833560      0.898233
  N      -3.345051     -6.165724      1.869466
  C      -4.347028     -7.044501      1.215624
  C      -5.549537     -7.154840      2.105435
  N      -5.934277     -5.821331      2.575307
  Mo     -4.435242     -4.269891      2.733816
  N      -2.980378     -4.768145      4.197772
  C      -2.025625     -5.817754      3.880859
  C      -2.755768     -6.847716      3.060453
  H      -1.650543     -6.284018      4.804787
  H      -1.149763     -5.420654      3.336040
  H      -3.568349     -7.273532      3.659270
  H      -2.093313     -7.662260      2.726540
  H      -6.375349     -7.621294      1.544782
  H      -5.329882     -7.828803      2.952467
  H      -4.615680     -6.597085      0.251279
  H      -3.901768     -8.033063      1.015339
  H      -1.194700     -4.055043      0.285253
  H      -2.840487     -4.078044     -0.241644
  H      -1.292869     -6.149048      1.345468
  H      -2.389235     -6.421814     -0.017560
  C      -1.656740     -2.825832      2.405316
  C      -0.270709     -3.091492      2.247047
  C       0.701728     -2.300684      2.837226
  C       0.349764     -1.196038      3.627871
  C      -0.987322     -0.905225      3.810742
  C      -2.003492     -1.690355      3.218774
  C      -3.386620     -1.414992      3.464129
  O      -4.284876     -2.321319      3.321488
  C      -3.919565     -0.114724      3.905882
  F      -5.104121     -0.274972      4.550275
  S      -3.335130      1.374306      3.620549
  C      -7.171531     -5.789846      3.184876
  C      -7.759358     -6.986769      3.678822
  C      -8.982817     -6.995053      4.325425
  C      -9.714403     -5.810529      4.508338
  C      -9.205808     -4.633856      4.003942
  C      -7.962175     -4.587073      3.322033
  C      -7.494788     -3.366400      2.745491
  O      -6.286752     -3.211646      2.356994
  C      -8.346450     -2.178631      2.488800
  F      -9.660133     -2.492178      2.309635
  S      -7.838158     -0.645089      2.365455
  C      -2.691441     -3.953899      5.254319
  C      -1.371438     -3.821300      5.757135
  C      -1.070932     -2.869933      6.715677
  C      -2.068368     -2.023287      7.233208
  C      -3.384045     -2.208178      6.850756
  C      -3.735392     -3.209962      5.917369
  C      -5.070480     -3.669456      5.674029
  O      -5.382634     -4.299181      4.592066
  C      -6.128197     -3.656787      6.700967
  F      -7.212820     -4.354029      6.271925
  S      -6.162103     -2.977314      8.177227
  H       0.058021     -3.956320      1.672874
  H       1.752252     -2.562011      2.698533
  H       1.117134     -0.589171      4.107792
  H      -1.282338     -0.075257      4.448363
  H      -7.222665     -7.928677      3.605072
  H      -9.365910     -7.938820      4.717771
  H     -10.661660     -5.818734      5.046530
  H      -9.756898     -3.709014      4.154395
  H      -0.564028     -4.401055      5.313866
  H      -0.033942     -2.745884      7.031910
  H      -1.809019     -1.231123      7.935290
  H      -4.167480     -1.575592      7.259239
  N      -5.037255     -4.030529      0.433924
  H      -6.035524     -4.244438      0.426177
  H      -4.601825     -4.526033     -0.345703
  H      -4.946745     -3.025366      0.253718
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627270094579
  N      -2.627951     -3.589968      1.777851
  C      -2.209971     -4.343660      0.605287
  C      -2.231102     -5.831603      0.911672
  N      -3.339727     -6.164391      1.873710
  C      -4.339175     -7.038210      1.210991
  C      -5.547285     -7.150257      2.093199
  N      -5.931449     -5.819618      2.571691
  Mo     -4.435189     -4.265640      2.733518
  N      -2.981869     -4.763211      4.200484
  C      -2.030666     -5.818451      3.891729
  C      -2.759748     -6.847242      3.068094
  H      -1.664047     -6.284612      4.819162
  H      -1.148890     -5.426048      3.353144
  H      -3.576931     -7.269923      3.662863
  H      -2.097227     -7.664001      2.739473
  H      -6.371888     -7.610353      1.525581
  H      -5.333180     -7.830337      2.936698
  H      -4.599632     -6.587533      0.245907
  H      -3.894711     -8.027110      1.010325
  H      -1.208002     -4.052355      0.268001
  H      -2.861324     -4.097871     -0.240912
  H      -1.282559     -6.122950      1.378626
  H      -2.354378     -6.435927      0.002927
  C      -1.657156     -2.826071      2.397224
  C      -0.272345     -3.094255      2.234040
  C       0.703747     -2.307264      2.823499
  C       0.356450     -1.203948      3.617862
  C      -0.979508     -0.909853      3.804437
  C      -1.998920     -1.691131      3.213108
  C      -3.380796     -1.412065      3.461121
  O      -4.281967     -2.315741      3.320121
  C      -3.909408     -0.109825      3.902344
  F      -5.097313     -0.265076      4.541305
  S      -3.320819      1.377232      3.614377
  C      -7.168604     -5.790870      3.182010
  C      -7.757991     -6.990919      3.666059
  C      -8.980706     -7.002924      4.314292
  C      -9.709295     -5.818527      4.508875
  C      -9.199618     -4.638640      4.013220
  C      -7.957572     -4.587859      3.328592
  C      -7.491654     -3.364197      2.756889
  O      -6.284097     -3.209500      2.364827
  C      -8.342245     -2.175370      2.506714
  F      -9.658244     -2.485106      2.337904
  S      -7.829920     -0.643997      2.368140
  C      -2.695013     -3.949020      5.257588
  C      -1.376480     -3.820037      5.765188
  C      -1.077248     -2.870251      6.725553
  C      -2.074805     -2.022192      7.240491
  C      -3.389739     -2.203823      6.853848
  C      -3.740089     -3.203936      5.918273
  C      -5.073840     -3.666006      5.672658
  O      -5.381785     -4.297963      4.590799
  C      -6.133958     -3.656022      6.697052
  F      -7.192141     -4.405890      6.290699
  S      -6.192268     -2.934662      8.152250
  H       0.051862     -3.957919      1.655793
  H       1.753324     -2.570448      2.681282
  H       1.126381     -0.600230      4.097666
  H      -1.270527     -0.080611      4.444785
  H      -7.223691     -7.933345      3.582802
  H      -9.364697     -7.949723      4.698297
  H     -10.655549     -5.829172      5.048810
  H      -9.749041     -3.714236      4.172129
  H      -0.569239     -4.401659      5.324047
  H      -0.041133     -2.748639      7.045574
  H      -1.816258     -1.231338      7.944360
  H      -4.173450     -1.570983      7.261407
  N      -5.052624     -4.027110      0.429935
  H      -6.051428     -4.237479      0.439277
  H      -4.631257     -4.528774     -0.353867
  H      -4.959193     -3.023375      0.243763
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627348782719
  N      -2.632838     -3.585567      1.770758
  C      -2.218874     -4.345500      0.600014
  C      -2.218809     -5.828490      0.926017
  N      -3.334737     -6.162270      1.878175
  C      -4.331220     -7.030526      1.205393
  C      -5.545045     -7.145648      2.079567
  N      -5.928956     -5.819220      2.568819
  Mo     -4.435169     -4.261774      2.733831
  N      -2.983214     -4.759013      4.203581
  C      -2.035458     -5.819668      3.902764
  C      -2.763763     -6.846763      3.075293
  H      -1.677240     -6.286163      4.833332
  H      -1.147783     -5.431217      3.370881
  H      -3.585278     -7.266272      3.666381
  H      -2.101772     -7.665854      2.751235
  H      -6.368206     -7.598552      1.503997
  H      -5.336435     -7.833842      2.917817
  H      -4.582398     -6.575878      0.239754
  H      -3.887762     -8.019791      1.003805
  H      -1.223755     -4.045085      0.250140
  H      -2.883763     -4.118662     -0.239979
  H      -1.272710     -6.097461      1.410548
  H      -2.319959     -6.447934      0.024475
  C      -1.657281     -2.827470      2.390202
  C      -0.273939     -3.098720      2.221044
  C       0.706148     -2.318092      2.812454
  C       0.364204     -1.218637      3.614301
  C      -0.970407     -0.920546      3.805245
  C      -1.993538     -1.695107      3.211670
  C      -3.374093     -1.411376      3.462235
  O      -4.278816     -2.311898      3.322831
  C      -3.897374     -0.107053      3.903773
  F      -5.089549     -0.257084      4.535486
  S      -3.302679      1.378073      3.616912
  C      -7.165596     -5.793902      3.179871
  C      -7.756885     -6.997731      3.652088
  C      -8.979076     -7.014042      4.301341
  C      -9.704292     -5.829921      4.508821
  C      -9.193520     -4.646252      4.023360
  C      -7.952987     -4.590812      3.336333
  C      -7.488748     -3.363937      2.770014
  O      -6.281821     -3.207274      2.374489
  C      -8.339828     -2.175160      2.525352
  F      -9.657980     -2.482734      2.369381
  S      -7.826340     -0.645160      2.371329
  C      -2.697970     -3.943376      5.259972
  C      -1.380356     -3.815998      5.770498
  C      -1.081641     -2.865037      6.729687
  C      -2.078896     -2.014096      7.240315
  C      -3.393345     -2.193211      6.850871
  C      -3.743893     -3.195371      5.917385
  C      -5.076506     -3.660792      5.671168
  O      -5.380167     -4.298025      4.591523
  C      -6.140474     -3.652150      6.692398
  F      -7.171306     -4.449985      6.307663
  S      -6.233465     -2.876922      8.117316
  H       0.044954     -3.959702      1.635996
  H       1.754690     -2.583002      2.665900
  H       1.137029     -0.620294      4.096202
  H      -1.256580     -0.093880      4.451001
  H      -7.224269     -7.939999      3.557420
  H      -9.364569     -7.964126      4.675542
  H     -10.649635     -5.843231      5.050334
  H      -9.741504     -3.722766      4.192140
  H      -0.573742     -4.400430      5.331947
  H      -0.046175     -2.744540      7.052261
  H      -1.820306     -1.222163      7.942993
  H      -4.176483     -1.557931      7.255347
  N      -5.069104     -4.022068      0.427382
  H      -6.068444     -4.227743      0.454487
  H      -4.664126     -4.529582     -0.361582
  H      -4.972942     -3.019613      0.236147
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627401472991
  N      -2.635549     -3.580086      1.761162
  C      -2.223188     -4.349078      0.594436
  C      -2.208852     -5.827546      0.937359
  N      -3.330197     -6.160787      1.881506
  C      -4.324178     -7.024323      1.200454
  C      -5.542732     -7.141477      2.067743
  N      -5.926112     -5.818685      2.566014
  Mo     -4.434336     -4.258093      2.732474
  N      -2.984334     -4.756201      4.205656
  C      -2.039470     -5.821289      3.911706
  C      -2.767175     -6.846645      3.080887
  H      -1.688858     -6.288470      4.844862
  H      -1.146498     -5.436122      3.386140
  H      -3.592420     -7.263075      3.669085
  H      -2.106075     -7.667985      2.760631
  H      -6.364652     -7.588158      1.485414
  H      -5.338802     -7.837071      2.901072
  H      -4.566772     -6.566881      0.234006
  H      -3.881961     -8.014260      0.998815
  H      -1.232734     -4.042250      0.236735
  H      -2.895975     -4.138988     -0.242535
  H      -1.262516     -6.081436      1.429235
  H      -2.294512     -6.457844      0.041390
  C      -1.656848     -2.826642      2.381030
  C      -0.274131     -3.098488      2.207620
  C       0.707907     -2.319546      2.798177
  C       0.368643     -1.221397      3.602769
  C      -0.965352     -0.922060      3.796925
  C      -1.990249     -1.694912      3.204415
  C      -3.369795     -1.409107      3.458402
  O      -4.276559     -2.308776      3.324097
  C      -3.889570     -0.102767      3.897515
  F      -5.084851     -0.247927      4.524343
  S      -3.289046      1.380442      3.611340
  C      -7.161895     -5.795885      3.178167
  C      -7.754311     -7.002322      3.642759
  C      -8.974412     -7.021185      4.295804
  C      -9.695461     -5.836845      4.515397
  C      -9.184489     -4.650578      4.036382
  C      -7.947183     -4.592342      3.343703
  C      -7.485399     -3.363473      2.779540
  O      -6.279536     -3.204205      2.379987
  C      -8.337628     -2.175002      2.539227
  F      -9.657472     -2.481113      2.394637
  S      -7.824626     -0.645343      2.376829
  C      -2.701703     -3.941880      5.263915
  C      -1.385914     -3.820132      5.780638
  C      -1.088207     -2.873199      6.743989
  C      -2.085255     -2.021721      7.253935
  C      -3.398663     -2.195613      6.858931
  C      -3.748413     -3.193185      5.920167
  C      -5.080469     -3.656354      5.668567
  O      -5.381034     -4.297116      4.590828
  C      -6.151316     -3.640658      6.683694
  F      -7.163411     -4.469159      6.314814
  S      -6.272128     -2.818717      8.079285
  H       0.042259     -3.957998      1.619185
  H       1.756079     -2.584095      2.648339
  H       1.142822     -0.624487      4.084291
  H      -1.248824     -0.096164      4.444870
  H      -7.222999     -7.944242      3.538315
  H      -9.360751     -7.973466      4.663462
  H     -10.638513     -5.851302      5.060892
  H      -9.730359     -3.727747      4.214944
  H      -0.579920     -4.406580      5.343662
  H      -0.053887     -2.756695      7.071669
  H      -1.827149     -1.233374      7.960842
  H      -4.181943     -1.560770      7.264009
  N      -5.079633     -4.019197      0.425205
  H      -6.079212     -4.221610      0.465025
  H      -4.688305     -4.532340     -0.367720
  H      -4.981762     -3.017997      0.228374
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627436055416
  N      -2.639923     -3.575879      1.754611
  C      -2.229744     -4.350335      0.589878
  C      -2.200693     -5.825232      0.944880
  N      -3.326232     -6.158368      1.883173
  C      -4.317771     -7.019791      1.196387
  C      -5.539613     -7.138776      2.058740
  N      -5.923560     -5.818688      2.563129
  Mo     -4.434302     -4.255671      2.730872
  N      -2.984899     -4.751855      4.204998
  C      -2.041374     -5.820000      3.916595
  C      -2.768364     -6.844770      3.084470
  H      -1.695830     -6.286629      4.851877
  H      -1.145211     -5.437310      3.394608
  H      -3.595797     -7.259427      3.670933
  H      -2.107756     -7.667412      2.766555
  H      -6.359914     -7.582174      1.471515
  H      -5.338927     -7.839430      2.888624
  H      -4.555007     -6.560612      0.229539
  H      -3.875961     -8.010024      0.995058
  H      -1.246660     -4.031592      0.222151
  H      -2.912914     -4.153773     -0.242537
  H      -1.255759     -6.066751      1.445693
  H      -2.273585     -6.464841      0.054145
  C      -1.657721     -2.828779      2.375771
  C      -0.276152     -3.105358      2.200590
  C       0.708785     -2.332407      2.794439
  C       0.373804     -1.236727      3.604073
  C      -0.959099     -0.932978      3.799722
  C      -1.986877     -1.699173      3.203820
  C      -3.365741     -1.409682      3.459358
  O      -4.274376     -2.308018      3.327525
  C      -3.881714     -0.102179      3.898861
  F      -5.076967     -0.244518      4.526572
  S      -3.275597      1.379697      3.616836
  C      -7.158960     -5.799063      3.175682
  C      -7.751709     -7.007939      3.634328
  C      -8.969912     -7.029432      4.290577
  C      -9.688539     -5.845607      4.520266
  C      -9.178088     -4.656877      4.046655
  C      -7.943386     -4.595855      3.349562
  C      -7.483892     -3.364972      2.788034
  O      -6.278800     -3.202797      2.385760
  C      -8.336984     -2.176451      2.551905
  F      -9.658633     -2.480789      2.420322
  S      -7.824458     -0.647085      2.383139
  C      -2.704698     -3.937283      5.263724
  C      -1.389384     -3.815593      5.782040
  C      -1.092001     -2.868392      6.745033
  C      -2.089467     -2.016644      7.253776
  C      -3.402376     -2.189600      6.857126
  C      -3.752192     -3.187155      5.918173
  C      -5.083651     -3.651488      5.665165
  O      -5.380517     -4.298252      4.590573
  C      -6.160914     -3.631014      6.674860
  F      -7.151330     -4.492446      6.323454
  S      -6.316607     -2.760060      8.036157
  H       0.037331     -3.963806      1.609083
  H       1.755997     -2.599984      2.643204
  H       1.150304     -0.645130      4.088414
  H      -1.239239     -0.108981      4.451485
  H      -7.221093     -7.949319      3.522311
  H      -9.356736     -7.983487      4.653117
  H     -10.629605     -5.862057      5.069128
  H      -9.722604     -3.734891      4.233176
  H      -0.583199     -4.402523      5.346054
  H      -0.058000     -2.751935      7.073742
  H      -1.831808     -1.228399      7.960963
  H      -4.185762     -1.554529      7.261411
  N      -5.088492     -4.012355      0.422145
  H      -6.088535     -4.209848      0.473491
  H      -4.710611     -4.528661     -0.373024
  H      -4.988773     -3.011859      0.222972
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627468335323
  N      -2.642310     -3.572666      1.749196
  C      -2.230946     -4.352576      0.587952
  C      -2.196336     -5.825246      0.949081
  N      -3.323634     -6.157279      1.884493
  C      -4.313986     -7.017618      1.194570
  C      -5.537646     -7.136947      2.054124
  N      -5.921094     -5.818056      2.562067
  Mo     -4.433642     -4.254496      2.729593
  N      -2.984755     -4.749750      4.204411
  C      -2.042532     -5.820389      3.919952
  C      -2.769626     -6.844285      3.087222
  H      -1.701021     -6.286813      4.856791
  H      -1.143893     -5.440463      3.400408
  H      -3.598852     -7.257171      3.672437
  H      -2.109973     -7.668215      2.770663
  H      -6.357156     -7.578221      1.464150
  H      -5.339206     -7.840653      2.881973
  H      -4.548360     -6.557546      0.227466
  H      -3.872477     -8.008085      0.993716
  H      -1.251136     -4.028477      0.216005
  H      -2.917434     -4.164815     -0.243405
  H      -1.249867     -6.062014      1.449397
  H      -2.264715     -6.468571      0.060532
  C      -1.658401     -2.829225      2.371494
  C      -0.277326     -3.107619      2.195401
  C       0.708804     -2.335614      2.788804
  C       0.375603     -1.239501      3.598499
  C      -0.956937     -0.934277      3.794945
  C      -1.985841     -1.699393      3.199890
  C      -3.364397     -1.409409      3.458091
  O      -4.273095     -2.308776      3.330644
  C      -3.878884     -0.101847      3.897483
  F      -5.073089     -0.243147      4.528017
  S      -3.271262      1.379600      3.615866
  C      -7.156528     -5.800267      3.174604
  C      -7.749627     -7.010510      3.629815
  C      -8.966510     -7.033489      4.288224
  C      -9.683692     -5.850041      4.524198
  C      -9.173538     -4.659929      4.053569
  C      -7.940457     -4.597439      3.353750
  C      -7.482653     -3.365270      2.793727
  O      -6.278317     -3.201047      2.389158
  C      -8.336543     -2.176707      2.560851
  F      -9.659069     -2.480315      2.436413
  S      -7.824589     -0.647292      2.390027
  C      -2.706670     -3.936611      5.264793
  C      -1.392021     -3.817206      5.785616
  C      -1.094603     -2.872247      6.750600
  C      -2.092089     -2.020815      7.260062
  C      -3.404362     -2.191294      6.860872
  C      -3.754414     -3.185892      5.918623
  C      -5.085907     -3.648657      5.663077
  O      -5.380809     -4.299959      4.591323
  C      -6.169654     -3.621125      6.667301
  F      -7.142316     -4.508624      6.332116
  S      -6.352827     -2.711085      7.998537
  H       0.035670     -3.965950      1.603446
  H       1.755631     -2.604120      2.636505
  H       1.153104     -0.648624      4.082114
  H      -1.235942     -0.109738      4.446579
  H      -7.219689     -7.951699      3.513280
  H      -9.353736     -7.988539      4.647741
  H     -10.623473     -5.867732      5.075204
  H      -9.717256     -3.738415      4.244577
  H      -0.585738     -4.404197      5.349893
  H      -0.060888     -2.757416      7.080764
  H      -1.834749     -1.234828      7.969870
  H      -4.187885     -1.556965      7.265955
  N      -5.090368     -4.006627      0.421183
  H      -6.091010     -4.200387      0.476917
  H      -4.721077     -4.524943     -0.377078
  H      -4.988747     -3.006463      0.221310
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627547407387
  N      -2.648163     -3.568279      1.738199
  C      -2.233686     -4.357248      0.583732
  C      -2.186401     -5.825724      0.956423
  N      -3.317559     -6.155309      1.886451
  C      -4.305755     -7.013631      1.190541
  C      -5.533355     -7.132961      2.044286
  N      -5.915742     -5.815690      2.558056
  Mo     -4.432276     -4.252717      2.725886
  N      -2.984217     -4.743920      4.201631
  C      -2.044468     -5.819841      3.925770
  C      -2.771257     -6.842912      3.092482
  H      -1.711235     -6.284764      4.866266
  H      -1.140989     -5.446155      3.410624
  H      -3.604109     -7.252669      3.674705
  H      -2.112862     -7.669024      2.778938
  H      -6.351135     -7.570411      1.449096
  H      -5.340067     -7.841371      2.869279
  H      -4.535260     -6.551297      0.223284
  H      -3.864569     -8.004322      0.990403
  H      -1.260803     -4.023729      0.201855
  H      -2.927909     -4.187595     -0.244990
  H      -1.239800     -6.051703      1.461850
  H      -2.244601     -6.477362      0.073100
  C      -1.660571     -2.830749      2.362281
  C      -0.280649     -3.113936      2.186069
  C       0.708095     -2.343644      2.778166
  C       0.378649     -1.245000      3.585747
  C      -0.953136     -0.935872      3.782343
  C      -1.984277     -1.699489      3.189931
  C      -3.362250     -1.408738      3.453451
  O      -4.270211     -2.311024      3.335334
  C      -3.874222     -0.101507      3.892495
  F      -5.065796     -0.240818      4.529846
  S      -3.264635      1.379066      3.609516
  C      -7.151249     -5.801757      3.171464
  C      -7.744578     -7.014624      3.620162
  C      -8.957846     -7.040764      4.284744
  C      -9.671562     -5.858257      4.535352
  C      -9.162326     -4.665356      4.070436
  C      -7.933837     -4.599935      3.362814
  C      -7.479627     -3.364864      2.805827
  O      -6.276987     -3.198196      2.395623
  C      -8.333723     -2.175126      2.581259
  F      -9.658314     -2.475521      2.470952
  S      -7.821039     -0.645831      2.410034
  C      -2.711216     -3.934585      5.266227
  C      -1.398011     -3.819721      5.792294
  C      -1.101215     -2.881191      6.763280
  C      -2.099695     -2.032887      7.276774
  C      -3.410391     -2.198464      6.871891
  C      -3.759964     -3.184060      5.919476
  C      -5.091092     -3.643939      5.657729
  O      -5.381055     -4.304750      4.591719
  C      -6.189365     -3.600077      6.648568
  F      -7.113977     -4.553773      6.363279
  S      -6.440805     -2.599637      7.899678
  H       0.031717     -3.972938      1.594775
  H       1.753952     -2.615424      2.624943
  H       1.158293     -0.655197      4.067220
  H      -1.230271     -0.108927      4.431926
  H      -7.217275     -7.955994      3.493987
  H      -9.345411     -7.997853      4.638498
  H     -10.607782     -5.879018      5.092240
  H      -9.703485     -3.744555      4.271405
  H      -0.590745     -4.404992      5.356069
  H      -0.068070     -2.769707      7.096316
  H      -1.844113     -1.253529      7.994476
  H      -4.195273     -1.568220      7.280855
  N      -5.093237     -3.993401      0.417997
  H      -6.095139     -4.178865      0.482891
  H      -4.741535     -4.515718     -0.385310
  H      -4.987303     -2.994022      0.216528
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627644780137
  N      -2.653516     -3.565560      1.727239
  C      -2.232725     -4.360708      0.579461
  C      -2.180004     -5.827548      0.956909
  N      -3.312530     -6.154196      1.885398
  C      -4.299934     -7.011830      1.186481
  C      -5.529821     -7.130005      2.036849
  N      -5.910866     -5.812698      2.553077
  Mo     -4.430752     -4.253029      2.720437
  N      -2.982925     -4.738735      4.195805
  C      -2.044649     -5.818816      3.927058
  C      -2.771253     -6.841733      3.094188
  H      -1.718103     -6.281684      4.870813
  H      -1.137510     -5.451192      3.414677
  H      -3.606734     -7.249395      3.674003
  H      -2.113737     -7.669240      2.782415
  H      -6.346531     -7.565700      1.439000
  H      -5.340359     -7.840035      2.861220
  H      -4.528061     -6.547506      0.219671
  H      -3.858649     -8.002371      0.986577
  H      -1.263210     -4.023557      0.192299
  H      -2.928540     -4.205041     -0.250258
  H      -1.231845     -6.049294      1.461693
  H      -2.236185     -6.482312      0.075849
  C      -1.663279     -2.832409      2.354617
  C      -0.284219     -3.120591      2.182211
  C       0.705939     -2.352064      2.775182
  C       0.378472     -1.250665      3.579557
  C      -0.953045     -0.937747      3.773053
  C      -1.985080     -1.699758      3.180795
  C      -3.363054     -1.409676      3.448692
  O      -4.268351     -2.317094      3.340171
  C      -3.874703     -0.104536      3.888354
  F      -5.062365     -0.244343      4.534709
  S      -3.268233      1.376709      3.600616
  C      -7.145871     -5.802093      3.169443
  C      -7.738248     -7.016692      3.614997
  C      -8.946880     -7.045130      4.287711
  C      -9.657270     -5.863537      4.551753
  C      -9.149732     -4.668689      4.089477
  C      -7.926805     -4.601521      3.372599
  C      -7.476773     -3.363937      2.816946
  O      -6.276467     -3.195913      2.399583
  C      -8.331487     -2.173070      2.602872
  F      -9.657407     -2.471989      2.503059
  S      -7.818758     -0.643404      2.435113
  C      -2.715078     -3.933741      5.265029
  C      -1.402908     -3.821384      5.794779
  C      -1.107203     -2.889621      6.772123
  C      -2.107961     -2.047832      7.293133
  C      -3.417009     -2.210622      6.884014
  C      -3.765014     -3.184612      5.918430
  C      -5.095669     -3.640517      5.650081
  O      -5.381566     -4.312735      4.591847
  C      -6.210937     -3.571863      6.623799
  F      -7.076709     -4.597489      6.413000
  S      -6.540431     -2.471585      7.765805
  H       0.029507     -3.980467      1.592931
  H       1.750999     -2.627948      2.623849
  H       1.159231     -0.661997      4.060610
  H      -1.230249     -0.108766      4.420262
  H      -7.214426     -7.958809      3.480455
  H      -9.334051     -8.003610      4.638177
  H     -10.589239     -5.887149      5.115551
  H      -9.688208     -3.748059      4.298308
  H      -0.593686     -4.402431      5.356548
  H      -0.074209     -2.779755      7.106114
  H      -1.855104     -1.276211      8.020034
  H      -4.204738     -1.587475      7.299123
  N      -5.089356     -3.977946      0.415728
  H      -6.092597     -4.157217      0.483230
  H      -4.750034     -4.502878     -0.391916
  H      -4.980070     -2.978965      0.214028
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627751044316
  N      -2.654499     -3.568908      1.722494
  C      -2.227444     -4.363054      0.577891
  C      -2.178091     -5.831599      0.951809
  N      -3.310404     -6.155159      1.882784
  C      -4.299015     -7.013256      1.184908
  C      -5.528822     -7.129209      2.035502
  N      -5.908707     -5.809662      2.548581
  Mo     -4.428919     -4.255996      2.715349
  N      -2.980907     -4.736057      4.190158
  C      -2.042750     -5.817690      3.923484
  C      -2.769616     -6.841815      3.092672
  H      -1.717735     -6.278378      4.868754
  H      -1.135167     -5.453344      3.409969
  H      -3.605725     -7.249222      3.671629
  H      -2.112071     -7.669356      2.781046
  H      -6.345580     -7.566118      1.438767
  H      -5.340739     -7.836079      2.862735
  H      -4.529923     -6.547337      0.219293
  H      -3.857463     -8.003311      0.984186
  H      -1.256631     -4.028973      0.191458
  H      -2.919227     -4.211122     -0.256547
  H      -1.231225     -6.057651      1.457396
  H      -2.240312     -6.483872      0.069693
  C      -1.664727     -2.832342      2.350108
  C      -0.285688     -3.121079      2.182203
  C       0.703580     -2.348437      2.772016
  C       0.374457     -1.241800      3.568313
  C      -0.957740     -0.929090      3.757953
  C      -1.988240     -1.696184      3.170064
  C      -3.366861     -1.409940      3.440910
  O      -4.267523     -2.324083      3.339841
  C      -3.881392     -0.107802      3.880242
  F      -5.065962     -0.249862      4.533209
  S      -3.281241      1.375077      3.585801
  C      -7.142741     -5.800221      3.169503
  C      -7.733175     -7.014755      3.616942
  C      -8.937627     -7.043313      4.297410
  C      -9.645662     -5.861949      4.568608
  C      -9.140249     -4.667029      4.103685
  C      -7.922248     -4.600540      3.378776
  C      -7.474663     -3.361993      2.821768
  O      -6.276395     -3.196154      2.397953
  C      -8.329039     -2.169963      2.616323
  F      -9.655592     -2.468477      2.520285
  S      -7.815614     -0.639982      2.454862
  C      -2.716578     -3.937373      5.264952
  C      -1.405493     -3.828957      5.798490
  C      -1.111809     -2.907459      6.785881
  C      -2.115122     -2.074908      7.318142
  C      -3.422360     -2.233959      6.904152
  C      -3.767396     -3.192517      5.921551
  C      -5.097684     -3.640434      5.644016
  O      -5.381987     -4.319305      4.591026
  C      -6.227583     -3.546763      6.600492
  F      -7.052021     -4.616690      6.452596
  S      -6.614477     -2.371727      7.643082
  H       0.031355     -3.983127      1.597836
  H       1.748682     -2.625545      2.623300
  H       1.154452     -0.649131      4.045690
  H      -1.237799     -0.096012      4.398890
  H      -7.213155     -7.958401      3.478434
  H      -9.323661     -8.001887      4.648879
  H     -10.573828     -5.886841      5.138544
  H      -9.676364     -3.745558      4.315155
  H      -0.594055     -4.403970      5.356416
  H      -0.078967     -2.800098      7.121092
  H      -1.865417     -1.314022      8.057317
  H      -4.213485     -1.618907      7.326137
  N      -5.078406     -3.967096      0.415174
  H      -6.082710     -4.144062      0.477362
  H      -4.739970     -4.492160     -0.392724
  H      -4.967614     -2.968028      0.214775
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.627914585740
  N      -2.654881     -3.572448      1.716909
  C      -2.224175     -4.366088      0.574977
  C      -2.172525     -5.834038      0.950883
  N      -3.308065     -6.155249      1.880628
  C      -4.296799     -7.010821      1.179232
  C      -5.528177     -7.127155      2.027298
  N      -5.906991     -5.807615      2.542284
  Mo     -4.427045     -4.259133      2.708776
  N      -2.979574     -4.733340      4.185854
  C      -2.042716     -5.817479      3.921793
  C      -2.770194     -6.842206      3.091641
  H      -1.719959     -6.276686      4.868495
  H      -1.134010     -5.455797      3.408422
  H      -3.608088     -7.248048      3.669083
  H      -2.113160     -7.670702      2.781490
  H      -6.344812     -7.561758      1.428761
  H      -5.342631     -7.834485      2.854545
  H      -4.526873     -6.540501      0.215413
  H      -3.855264     -8.000178      0.975692
  H      -1.254889     -4.030628      0.185818
  H      -2.916559     -4.221682     -0.261412
  H      -1.228571     -6.061130      1.461261
  H      -2.236203     -6.485636      0.068667
  C      -1.665243     -2.833170      2.344767
  C      -0.286537     -3.122777      2.179667
  C       0.702415     -2.348711      2.768524
  C       0.372121     -1.239956      3.561234
  C      -0.960455     -0.926845      3.748436
  C      -1.990135     -1.695643      3.161517
  C      -3.369303     -1.411532      3.434016
  O      -4.266651     -2.331105      3.337601
  C      -3.885847     -0.112499      3.874145
  F      -5.070607     -0.256378      4.527370
  S      -3.289457      1.372680      3.579232
  C      -7.138925     -5.800469      3.169851
  C      -7.726588     -7.016123      3.616576
  C      -8.925114     -7.046283      4.307982
  C      -9.628326     -5.865224      4.591799
  C      -9.126252     -4.669096      4.125668
  C      -7.915984     -4.601574      3.388463
  C      -7.472221     -3.361330      2.829682
  O      -6.276893     -3.197477      2.396503
  C      -8.327118     -2.169141      2.634030
  F      -9.654996     -2.467004      2.549050
  S      -7.814090     -0.639038      2.470736
  C      -2.718439     -3.939512      5.264673
  C      -1.409058     -3.836242      5.803887
  C      -1.118263     -2.924301      6.800624
  C      -2.123779     -2.099669      7.342360
  C      -3.428747     -2.252850      6.921798
  C      -3.770222     -3.196013      5.922205
  C      -5.099387     -3.635316      5.634532
  O      -5.381527     -4.325197      4.590016
  C      -6.246399     -3.509961      6.569472
  F      -7.012321     -4.630918      6.518265
  S      -6.710302     -2.248647      7.465762
  H       0.031199     -3.985804      1.597105
  H       1.747537     -2.626616      2.621581
  H       1.151561     -0.645865      4.037794
  H      -1.241890     -0.092355      4.386992
  H      -7.210882     -7.960696      3.468804
  H      -9.309527     -8.005908      4.658298
  H     -10.550621     -5.891814      5.171127
  H      -9.658882     -3.747377      4.344681
  H      -0.596004     -4.407372      5.359769
  H      -0.086091     -2.820293      7.138930
  H      -1.876928     -1.349833      8.093636
  H      -4.222767     -1.644226      7.348763
  N      -5.072737     -3.954383      0.413063
  H      -6.078479     -4.125183      0.472543
  H      -4.739475     -4.478998     -0.398370
  H      -4.957974     -2.955172      0.215772
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628115611565
  N      -2.644531     -3.586818      1.722398
  C      -2.215377     -4.363794      0.572272
  C      -2.175757     -5.835782      0.939059
  N      -3.314303     -6.158026      1.871512
  C      -4.305470     -7.008868      1.168709
  C      -5.534849     -7.129424      2.018741
  N      -5.914027     -5.809932      2.533434
  Mo     -4.426478     -4.267919      2.698832
  N      -2.978582     -4.736900      4.182712
  C      -2.041069     -5.817253      3.908548
  C      -2.770347     -6.844703      3.079030
  H      -1.707840     -6.277420      4.851189
  H      -1.138292     -5.447857      3.388926
  H      -3.606060     -7.251949      3.658817
  H      -2.111756     -7.671919      2.768843
  H      -6.354381     -7.561732      1.422475
  H      -5.345965     -7.833827      2.847518
  H      -4.537472     -6.531514      0.208813
  H      -3.863655     -7.996290      0.956492
  H      -1.237605     -4.040536      0.194468
  H      -2.898232     -4.206026     -0.271888
  H      -1.238961     -6.078840      1.453371
  H      -2.253555     -6.474116      0.048842
  C      -1.661278     -2.834103      2.349178
  C      -0.281503     -3.119063      2.189210
  C       0.703209     -2.345724      2.784644
  C       0.364882     -1.242528      3.581896
  C      -0.969132     -0.932982      3.764405
  C      -1.994593     -1.700398      3.166723
  C      -3.375565     -1.417369      3.429270
  O      -4.271409     -2.339066      3.319332
  C      -3.898254     -0.123362      3.873300
  F      -5.093241     -0.272704      4.504713
  S      -3.307605      1.368271      3.588782
  C      -7.140805     -5.801959      3.174209
  C      -7.720697     -7.016892      3.628235
  C      -8.912086     -7.046718      4.334315
  C      -9.609802     -5.864393      4.623319
  C      -9.114668     -4.669242      4.146525
  C      -7.914690     -4.602412      3.393699
  C      -7.474219     -3.362789      2.825716
  O      -6.282724     -3.207091      2.380442
  C      -8.330553     -2.172864      2.639168
  F      -9.659229     -2.473342      2.561424
  S      -7.820448     -0.642500      2.464193
  C      -2.714161     -3.942846      5.259140
  C      -1.406525     -3.839110      5.802809
  C      -1.124252     -2.931251      6.805853
  C      -2.133447     -2.115880      7.356134
  C      -3.435835     -2.267592      6.930569
  C      -3.767098     -3.199298      5.915681
  C      -5.092684     -3.628514      5.620216
  O      -5.381484     -4.325520      4.584327
  C      -6.246730     -3.464815      6.540663
  F      -6.979949     -4.606710      6.584922
  S      -6.726780     -2.134037      7.313505
  H       0.034253     -3.981302      1.604478
  H       1.749912     -2.620277      2.643209
  H       1.139651     -0.649334      4.067247
  H      -1.254019     -0.104358      4.408511
  H      -7.208504     -7.962237      3.473531
  H      -9.291034     -8.006460      4.689847
  H     -10.524643     -5.889033      5.214620
  H      -9.644304     -3.746489      4.368827
  H      -0.591591     -4.407268      5.358430
  H      -0.093471     -2.826173      7.148198
  H      -1.890070     -1.374694      8.116876
  H      -4.233933     -1.663087      7.357971
  N      -5.066508     -3.954686      0.411159
  H      -6.073047     -4.125095      0.452348
  H      -4.714201     -4.471287     -0.400305
  H      -4.949340     -2.953991      0.222864
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628296826988
  N      -2.643802     -3.583975      1.713200
  C      -2.219634     -4.369935      0.565294
  C      -2.164707     -5.835954      0.950500
  N      -3.310079     -6.155462      1.874170
  C      -4.297702     -7.001661      1.162536
  C      -5.531815     -7.123794      2.004693
  N      -5.910400     -5.808054      2.528216
  Mo     -4.424240     -4.262478      2.693446
  N      -2.980980     -4.730990      4.186081
  C      -2.047827     -5.816668      3.919309
  C      -2.775977     -6.841978      3.085563
  H      -1.722762     -6.278253      4.864168
  H      -1.139642     -5.450300      3.407094
  H      -3.616091     -7.244951      3.662327
  H      -2.118180     -7.672289      2.781994
  H      -6.350121     -7.549279      1.401760
  H      -5.347344     -7.835514      2.828253
  H      -4.519439     -6.522338      0.201468
  H      -3.857554     -7.990174      0.950988
  H      -1.248128     -4.039254      0.177665
  H      -2.913903     -4.226093     -0.270997
  H      -1.232113     -6.065507      1.477676
  H      -2.226227     -6.487697      0.068082
  C      -1.658673     -2.832728      2.336743
  C      -0.279351     -3.118411      2.170872
  C       0.707740     -2.345752      2.762942
  C       0.372193     -1.242411      3.561215
  C      -0.960917     -0.931357      3.747889
  C      -1.989006     -1.698681      3.154458
  C      -3.368739     -1.412478      3.419744
  O      -4.267783     -2.331846      3.310825
  C      -3.886380     -0.116791      3.863876
  F      -5.086298     -0.260587      4.486482
  S      -3.283743      1.372802      3.590637
  C      -7.135086     -5.803195      3.172819
  C      -7.714934     -7.020869      3.620043
  C      -8.901825     -7.053961      4.333915
  C      -9.593621     -5.872119      4.637485
  C      -9.099703     -4.674086      4.166370
  C      -7.905294     -4.603332      3.405458
  C      -7.469623     -3.361696      2.837998
  O      -6.281642     -3.205519      2.381732
  C      -8.326560     -2.171973      2.663204
  F      -9.657942     -2.468244      2.620164
  S      -7.817626     -0.643650      2.462173
  C      -2.720977     -3.940015      5.265048
  C      -1.417455     -3.848565      5.821705
  C      -1.138956     -2.950026      6.833624
  C      -2.147339     -2.131864      7.381132
  C      -3.446595     -2.270104      6.942221
  C      -3.775185     -3.192873      5.917708
  C      -5.099514     -3.617062      5.611816
  O      -5.383008     -4.318726      4.578818
  C      -6.263292     -3.455292      6.523907
  F      -6.946160     -4.623137      6.626379
  S      -6.811105     -2.099244      7.198712
  H       0.031689     -3.981053      1.584275
  H       1.754167     -2.619298      2.617599
  H       1.148476     -0.649010      4.043951
  H      -1.241906     -0.100926      4.391400
  H      -7.205353     -7.965402      3.452859
  H      -9.280750     -8.016227      4.682486
  H     -10.504466     -5.898094      5.234952
  H      -9.627162     -3.752562      4.399266
  H      -0.603420     -4.421130      5.381300
  H      -0.110927     -2.854226      7.187031
  H      -1.905255     -1.400046      8.151401
  H      -4.243603     -1.663429      7.367412
  N      -5.078299     -3.950611      0.403405
  H      -6.085601     -4.112334      0.455782
  H      -4.739256     -4.470047     -0.409199
  H      -4.954037     -2.951232      0.211917
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628412215126
  N      -2.640242     -3.578645      1.708913
  C      -2.219190     -4.371174      0.560388
  C      -2.169349     -5.836764      0.947853
  N      -3.311561     -6.154181      1.872404
  C      -4.297605     -7.004046      1.163763
  C      -5.530842     -7.123913      2.006513
  N      -5.909534     -5.808228      2.528586
  Mo     -4.423817     -4.255755      2.690635
  N      -2.984283     -4.727588      4.187999
  C      -2.051557     -5.813185      3.922005
  C      -2.778615     -6.836979      3.086522
  H      -1.728104     -6.277615      4.866079
  H      -1.141886     -5.446404      3.413112
  H      -3.618589     -7.238640      3.664663
  H      -2.120741     -7.668419      2.786187
  H      -6.349076     -7.551149      1.404635
  H      -5.344506     -7.836360      2.829252
  H      -4.516788     -6.531639      0.198905
  H      -3.858611     -7.994546      0.958020
  H      -1.244330     -4.043788      0.178843
  H      -2.909704     -4.222306     -0.274721
  H      -1.230507     -6.065085      1.464464
  H      -2.229668     -6.493478      0.068265
  C      -1.656013     -2.829765      2.330944
  C      -0.275821     -3.115566      2.162278
  C       0.711796     -2.345053      2.755405
  C       0.377524     -1.243526      3.557005
  C      -0.954969     -0.932302      3.746014
  C      -1.984932     -1.697174      3.151977
  C      -3.363919     -1.408003      3.417310
  O      -4.267274     -2.321469      3.302745
  C      -3.878075     -0.110830      3.865078
  F      -5.076251     -0.254597      4.490152
  S      -3.270133      1.377722      3.600083
  C      -7.133564     -5.803251      3.172080
  C      -7.713809     -7.021396      3.619960
  C      -8.900434     -7.054699      4.333648
  C      -9.592806     -5.873077      4.636616
  C      -9.099251     -4.674616      4.166304
  C      -7.904281     -4.602824      3.406073
  C      -7.470201     -3.361622      2.837847
  O      -6.284144     -3.204153      2.376429
  C      -8.327281     -2.171453      2.663721
  F      -9.659502     -2.464434      2.632192
  S      -7.818461     -0.643714      2.455964
  C      -2.725695     -3.936116      5.266241
  C      -1.423447     -3.847634      5.827623
  C      -1.146643     -2.951377      6.841704
  C      -2.154107     -2.129317      7.384221
  C      -3.452133     -2.262438      6.938765
  C      -3.780129     -3.186453      5.915432
  C      -5.105226     -3.612116      5.609170
  O      -5.388776     -4.306009      4.570777
  C      -6.265589     -3.470094      6.531618
  F      -6.951298     -4.636530      6.609661
  S      -6.800387     -2.130394      7.250134
  H       0.033951     -3.978407      1.575334
  H       1.758241     -2.617844      2.608591
  H       1.154306     -0.651247      4.040307
  H      -1.233382     -0.101249      4.389693
  H      -7.201667     -7.964629      3.453343
  H      -9.278633     -8.017379      4.681949
  H     -10.504270     -5.897973      5.233220
  H      -9.628814     -3.754537      4.399847
  H      -0.610096     -4.423206      5.389903
  H      -0.120222     -2.859162      7.200994
  H      -1.912215     -1.400425      8.157455
  H      -4.247373     -1.653691      7.362740
  N      -5.082035     -3.958151      0.399031
  H      -6.088872     -4.122180      0.450974
  H      -4.737096     -4.478312     -0.408131
  H      -4.956254     -2.959465      0.203734
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628501481327
  N      -2.639375     -3.579147      1.700235
  C      -2.215965     -4.373896      0.553326
  C      -2.167495     -5.838017      0.943086
  N      -3.310753     -6.152867      1.866628
  C      -4.295458     -7.004735      1.157920
  C      -5.529720     -7.123480      1.999010
  N      -5.907561     -5.807753      2.521740
  Mo     -4.422550     -4.253973      2.680539
  N      -2.985070     -4.719837      4.182081
  C      -2.052979     -5.807102      3.917764
  C      -2.780560     -6.831773      3.084119
  H      -1.730823     -6.271652      4.862197
  H      -1.142388     -5.442618      3.408889
  H      -3.621396     -7.231053      3.662630
  H      -2.122946     -7.664816      2.787452
  H      -6.347336     -7.550692      1.396248
  H      -5.344645     -7.836781      2.821273
  H      -4.513171     -6.534063      0.191718
  H      -3.856506     -7.995734      0.954438
  H      -1.239324     -4.045963      0.177075
  H      -2.903685     -4.226021     -0.284028
  H      -1.228847     -6.064950      1.461519
  H      -2.224704     -6.499069      0.066651
  C      -1.655487     -2.831408      2.322648
  C      -0.275253     -3.120361      2.155047
  C       0.713454     -2.353233      2.750293
  C       0.380751     -1.251995      3.553190
  C      -0.951141     -0.938473      3.741475
  C      -1.983024     -1.699537      3.145428
  C      -3.361975     -1.408081      3.411014
  O      -4.266902     -2.320195      3.292458
  C      -3.874279     -0.112899      3.864724
  F      -5.070359     -0.259044      4.494072
  S      -3.265677      1.376937      3.606939
  C      -7.129649     -5.805110      3.169683
  C      -7.708276     -7.024675      3.616919
  C      -8.887255     -7.059763      4.342878
  C      -9.573348     -5.878755      4.661327
  C      -9.083398     -4.678647      4.190757
  C      -7.898429     -4.605196      3.415179
  C      -7.469385     -3.362026      2.845352
  O      -6.288724     -3.206423      2.368803
  C      -8.323676     -2.168300      2.685048
  F      -9.658099     -2.453524      2.670413
  S      -7.810903     -0.640824      2.482328
  C      -2.731801     -3.931718      5.263574
  C      -1.432126     -3.842858      5.832530
  C      -1.163275     -2.955273      6.856101
  C      -2.176646     -2.144427      7.406195
  C      -3.470779     -2.275577      6.951142
  C      -3.788830     -3.184544      5.911031
  C      -5.110998     -3.606056      5.596246
  O      -5.394536     -4.300361      4.560672
  C      -6.282296     -3.440621      6.504206
  F      -6.921373     -4.622174      6.673584
  S      -6.860949     -2.063872      7.104614
  H       0.034080     -3.983906      1.568916
  H       1.759382     -2.628550      2.604408
  H       1.158323     -0.661962      4.037968
  H      -1.228111     -0.106396      4.384362
  H      -7.199848     -7.968175      3.441122
  H      -9.263263     -8.023774      4.689955
  H     -10.477501     -5.904811      5.268906
  H      -9.608865     -3.759428      4.435482
  H      -0.614475     -4.411652      5.394089
  H      -0.138844     -2.863133      7.221090
  H      -1.941426     -1.428027      8.193023
  H      -4.271427     -1.675597      7.379371
  N      -5.079781     -3.954357      0.393025
  H      -6.087191     -4.115916      0.442262
  H      -4.731754     -4.475164     -0.412765
  H      -4.950165     -2.956165      0.197847
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628555246208
  N      -2.636032     -3.582761      1.699811
  C      -2.214221     -4.375096      0.551005
  C      -2.168143     -5.837864      0.940570
  N      -3.311954     -6.152167      1.864317
  C      -4.296083     -7.006482      1.157254
  C      -5.530602     -7.125604      1.998577
  N      -5.908092     -5.810212      2.521853
  Mo     -4.421597     -4.254111      2.675927
  N      -2.984729     -4.715117      4.179968
  C      -2.051757     -5.801151      3.913100
  C      -2.780787     -6.827929      3.083041
  H      -1.726164     -6.265360      4.856616
  H      -1.143169     -5.435868      3.400953
  H      -3.621026     -7.225669      3.663356
  H      -2.123586     -7.661927      2.787819
  H      -6.347949     -7.553215      1.395645
  H      -5.345481     -7.839534      2.820301
  H      -4.514430     -6.537444      0.190243
  H      -3.855951     -7.997209      0.955166
  H      -1.237116     -4.046500      0.176723
  H      -2.901822     -4.220914     -0.286777
  H      -1.230992     -6.065225      1.462266
  H      -2.223914     -6.500476      0.065570
  C      -1.653326     -2.832991      2.320597
  C      -0.272390     -3.121038      2.153048
  C       0.715722     -2.352937      2.747394
  C       0.382435     -1.251020      3.549542
  C      -0.949399     -0.938580      3.737891
  C      -1.981350     -1.700565      3.142847
  C      -3.360179     -1.407990      3.405997
  O      -4.267327     -2.317332      3.280373
  C      -3.870722     -0.113065      3.862783
  F      -5.070249     -0.258718      4.486077
  S      -3.258244      1.376582      3.613510
  C      -7.130478     -5.807100      3.169107
  C      -7.710782     -7.026687      3.614933
  C      -8.887871     -7.061443      4.343720
  C      -9.571316     -5.880076      4.666567
  C      -9.081265     -4.679940      4.195996
  C      -7.898829     -4.606927      3.416720
  C      -7.470508     -3.363518      2.846580
  O      -6.292945     -3.210475      2.361118
  C      -8.321485     -2.166319      2.697420
  F      -9.657239     -2.446085      2.690998
  S      -7.804846     -0.639803      2.495125
  C      -2.732941     -3.929355      5.262894
  C      -1.434888     -3.841470      5.836194
  C      -1.170115     -2.958144      6.864488
  C      -2.185752     -2.151158      7.417517
  C      -3.478231     -2.282441      6.958914
  C      -3.790688     -3.184886      5.911421
  C      -5.111185     -3.602871      5.592339
  O      -5.397156     -4.291969      4.555486
  C      -6.283839     -3.434135      6.498782
  F      -6.903024     -4.619858      6.701719
  S      -6.873303     -2.046595      7.059707
  H       0.037633     -3.985438      1.568666
  H       1.761815     -2.627936      2.602016
  H       1.159682     -0.660396      4.034104
  H      -1.226776     -0.106175      4.380317
  H      -7.204501     -7.970700      3.435967
  H      -9.264519     -8.025608      4.689722
  H     -10.473822     -5.905609      5.276598
  H      -9.605575     -3.760696      4.443046
  H      -0.615164     -4.406976      5.397112
  H      -0.146538     -2.865471      7.231639
  H      -1.952708     -1.438754      8.208471
  H      -4.280629     -1.684454      7.387444
  N      -5.079616     -3.958958      0.390344
  H      -6.087125     -4.119480      0.436137
  H      -4.724040     -4.478099     -0.414052
  H      -4.947572     -2.960525      0.198801
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628581130762
  N      -2.634487     -3.583666      1.697964
  C      -2.211497     -4.374650      0.548930
  C      -2.172078     -5.838872      0.934518
  N      -3.312910     -6.151976      1.862313
  C      -4.297631     -7.009589      1.159686
  C      -5.530911     -7.127871      2.003467
  N      -5.908214     -5.811745      2.524662
  Mo     -4.420734     -4.254820      2.673698
  N      -2.984184     -4.712062      4.177175
  C      -2.049014     -5.795832      3.908308
  C      -2.778357     -6.825053      3.081521
  H      -1.720203     -6.258620      4.851436
  H      -1.142722     -5.429615      3.393171
  H      -3.617465     -7.222701      3.663452
  H      -2.121092     -7.658913      2.785863
  H      -6.348368     -7.557599      1.402179
  H      -5.344689     -7.840332      2.826324
  H      -4.519383     -6.542979      0.192186
  H      -3.855809     -7.999821      0.959358
  H      -1.232117     -4.051340      0.176258
  H      -2.894813     -4.214344     -0.291689
  H      -1.232534     -6.069496      1.450564
  H      -2.233245     -6.499239      0.058282
  C      -1.652284     -2.833172      2.319256
  C      -0.270901     -3.120254      2.153575
  C       0.716234     -2.351913      2.749123
  C       0.381977     -1.250365      3.551541
  C      -0.950145     -0.939093      3.738611
  C      -1.981338     -1.700700      3.141592
  C      -3.360204     -1.408595      3.403703
  O      -4.268021     -2.317362      3.275482
  C      -3.870421     -0.114492      3.862905
  F      -5.068635     -0.261742      4.489136
  S      -3.262728      1.376406      3.610263
  C      -7.131107     -5.807291      3.170251
  C      -7.713285     -7.026311      3.615713
  C      -8.890348     -7.059994      4.344203
  C      -9.573402     -5.878064      4.666835
  C      -9.082287     -4.678611      4.195717
  C      -7.899161     -4.606814      3.417413
  C      -7.471172     -3.363838      2.846604
  O      -6.295937     -3.212240      2.355080
  C      -8.321744     -2.165326      2.703967
  F      -9.657430     -2.445661      2.693442
  S      -7.804902     -0.638228      2.507793
  C      -2.732945     -3.928176      5.261549
  C      -1.434924     -3.839600      5.834594
  C      -1.170960     -2.958943      6.865340
  C      -2.187714     -2.155755      7.422727
  C      -3.480018     -2.288657      6.964689
  C      -3.790644     -3.186554      5.912564
  C      -5.111309     -3.601088      5.591362
  O      -5.399561     -4.287092      4.554185
  C      -6.284998     -3.430411      6.497297
  F      -6.894874     -4.617786      6.715730
  S      -6.881692     -2.037942      7.035846
  H       0.041712     -3.984030      1.569606
  H       1.762447     -2.627053      2.604812
  H       1.158644     -0.660012      4.037323
  H      -1.229130     -0.108200      4.382335
  H      -7.208286     -7.971040      3.436518
  H      -9.268418     -8.023674      4.690054
  H     -10.476321     -5.903031      5.276233
  H      -9.606629     -3.758852      4.441180
  H      -0.614010     -4.402116      5.393700
  H      -0.147116     -2.865411      7.231478
  H      -1.955178     -1.445373      8.215526
  H      -4.283429     -1.693951      7.395919
  N      -5.075327     -3.962586      0.391448
  H      -6.082657     -4.125687      0.431728
  H      -4.711732     -4.480551     -0.410275
  H      -4.944002     -2.963651      0.202139
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628599358724
  N      -2.634529     -3.583345      1.696234
  C      -2.211685     -4.375105      0.548001
  C      -2.171870     -5.839043      0.934961
  N      -3.312473     -6.151499      1.863158
  C      -4.296839     -7.010798      1.162134
  C      -5.530294     -7.129053      2.006257
  N      -5.907953     -5.813380      2.527663
  Mo     -4.420125     -4.254819      2.673701
  N      -2.985102     -4.709502      4.176753
  C      -2.048725     -5.792622      3.908359
  C      -2.777464     -6.823557      3.083097
  H      -1.719286     -6.253872      4.851997
  H      -1.143229     -5.426207      3.392278
  H      -3.616919     -7.220780      3.664819
  H      -2.120257     -7.657491      2.787575
  H      -6.347090     -7.559171      1.404306
  H      -5.344585     -7.841953      2.828998
  H      -4.519655     -6.545738      0.194188
  H      -3.853464     -8.000634      0.963548
  H      -1.233222     -4.051940      0.172444
  H      -2.895834     -4.212609     -0.291988
  H      -1.233106     -6.066556      1.453784
  H      -2.230668     -6.501157      0.059855
  C      -1.651541     -2.833750      2.317374
  C      -0.270424     -3.118917      2.148957
  C       0.717004     -2.350569      2.744210
  C       0.383564     -1.250565      3.549208
  C      -0.948521     -0.940570      3.738271
  C      -1.979887     -1.701800      3.141052
  C      -3.358248     -1.409290      3.403299
  O      -4.267913     -2.315896      3.272911
  C      -3.866097     -0.114366      3.863579
  F      -5.062900     -0.260505      4.493250
  S      -3.258898      1.375964      3.608228
  C      -7.132028     -5.807711      3.169389
  C      -7.717421     -7.026785      3.611201
  C      -8.895264     -7.060021      4.337916
  C      -9.576974     -5.877503      4.662520
  C      -9.083495     -4.678136      4.194072
  C      -7.899382     -4.606613      3.416851
  C      -7.471064     -3.363829      2.846484
  O      -6.297292     -3.213033      2.351107
  C      -8.320994     -2.163846      2.707190
  F      -9.656655     -2.444015      2.688403
  S      -7.803147     -0.635713      2.524099
  C      -2.734107     -3.926234      5.262037
  C      -1.435864     -3.836573      5.833988
  C      -1.171669     -2.956465      6.865199
  C      -2.188604     -2.154451      7.424016
  C      -3.481215     -2.288754      6.966951
  C      -3.791674     -3.186299      5.914546
  C      -5.112841     -3.600309      5.593401
  O      -5.402195     -4.281732      4.553870
  C      -6.284778     -3.434520      6.502861
  F      -6.894223     -4.623076      6.716413
  S      -6.880966     -2.044618      7.048447
  H       0.043396     -3.980271      1.561883
  H       1.763094     -2.624768      2.597205
  H       1.160796     -0.660661      4.034586
  H      -1.227856     -0.111546      4.384291
  H      -7.213563     -7.971928      3.430646
  H      -9.275793     -8.023534      4.681567
  H     -10.480390     -5.902487      5.271137
  H      -9.606524     -3.758076      4.440951
  H      -0.614456     -4.397920      5.392513
  H      -0.147610     -2.862760      7.230671
  H      -1.955916     -1.443674      8.216384
  H      -4.285096     -1.696472      7.400416
  N      -5.074773     -3.968072      0.392246
  H      -6.081689     -4.133028      0.432975
  H      -4.708026     -4.486565     -0.407235
  H      -4.944280     -2.968925      0.203782
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628610731569
  N      -2.634622     -3.582127      1.692149
  C      -2.211512     -4.376282      0.545700
  C      -2.170020     -5.839512      0.936049
  N      -3.311441     -6.151178      1.863346
  C      -4.295343     -7.010610      1.161865
  C      -5.529319     -7.129178      2.005250
  N      -5.907221     -5.814177      2.527972
  Mo     -4.419266     -4.255185      2.672223
  N      -2.986460     -4.708202      4.176034
  C      -2.049934     -5.792014      3.909840
  C      -2.777595     -6.823317      3.084042
  H      -1.722059     -6.252405      4.854393
  H      -1.143667     -5.426011      3.394845
  H      -3.618085     -7.220073      3.664612
  H      -2.120350     -7.657366      2.789169
  H      -6.345636     -7.558318      1.401916
  H      -5.344597     -7.843084      2.827377
  H      -4.517784     -6.545811      0.193787
  H      -3.851251     -8.000254      0.963918
  H      -1.234101     -4.053137      0.167291
  H      -2.896378     -4.215395     -0.293820
  H      -1.231420     -6.063288      1.456568
  H      -2.226360     -6.503221      0.061929
  C      -1.651046     -2.833550      2.313957
  C      -0.270103     -3.117869      2.144751
  C       0.717266     -2.350302      2.741361
  C       0.383889     -1.251961      3.548611
  C      -0.948280     -0.942466      3.738177
  C      -1.979438     -1.702947      3.139564
  C      -3.357490     -1.410451      3.402527
  O      -4.268217     -2.315993      3.271329
  C      -3.863594     -0.115882      3.865469
  F      -5.059029     -0.262111      4.498065
  S      -3.256439      1.374555      3.610484
  C      -7.131458     -5.807966      3.168557
  C      -7.718558     -7.027204      3.608192
  C      -8.895688     -7.060025      4.335941
  C      -9.574935     -5.876859      4.664079
  C      -9.080164     -4.677497      4.197378
  C      -7.897059     -4.606186      3.418396
  C      -7.469886     -3.363512      2.847372
  O      -6.298060     -3.212745      2.347509
  C      -8.320223     -2.162930      2.714019
  F      -9.655710     -2.444236      2.692694
  S      -7.803096     -0.633717      2.540221
  C      -2.735907     -3.924758      5.261771
  C      -1.437949     -3.835271      5.834167
  C      -1.174068     -2.955702      6.865968
  C      -2.191119     -2.154235      7.425020
  C      -3.483555     -2.288107      6.967207
  C      -3.793637     -3.184853      5.914001
  C      -5.115048     -3.598485      5.592303
  O      -5.404652     -4.279166      4.552962
  C      -6.287633     -3.431894      6.501464
  F      -6.889988     -4.622316      6.725112
  S      -6.892115     -2.040896      7.034344
  H       0.044388     -3.977515      1.555567
  H       1.763340     -2.623985      2.593308
  H       1.161202     -0.662917      4.034895
  H      -1.228002     -0.114967      4.385968
  H      -7.216191     -7.972625      3.425076
  H      -9.277870     -8.023494      4.677856
  H     -10.477604     -5.901805      5.273804
  H      -9.601595     -3.756985      4.446321
  H      -0.616292     -4.396596      5.393226
  H      -0.150151     -2.862637      7.232040
  H      -1.958768     -1.444022      8.218025
  H      -4.287916     -1.696992      7.401333
  N      -5.074109     -3.971044      0.391561
  H      -6.080885     -4.136512      0.433022
  H      -4.707286     -4.490372     -0.407496
  H      -4.943622     -2.971869      0.203503
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628618360137
  N      -2.635064     -3.580550      1.688415
  C      -2.212246     -4.377385      0.543637
  C      -2.167415     -5.839382      0.938676
  N      -3.310201     -6.150744      1.864366
  C      -4.293645     -7.009772      1.161766
  C      -5.528337     -7.128569      2.003937
  N      -5.906637     -5.814004      2.527579
  Mo     -4.418458     -4.255260      2.671703
  N      -2.987677     -4.707526      4.176253
  C      -2.051398     -5.792384      3.912658
  C      -2.777652     -6.823452      3.085417
  H      -1.725712     -6.252344      4.858139
  H      -1.143768     -5.426738      3.399588
  H      -3.618885     -7.220448      3.664761
  H      -2.119833     -7.657178      2.791126
  H      -6.344271     -7.556462      1.399174
  H      -5.344822     -7.843138      2.825705
  H      -4.514948     -6.545020      0.193470
  H      -3.849545     -7.999495      0.964088
  H      -1.235886     -4.053686      0.162899
  H      -2.898391     -4.219804     -0.295124
  H      -1.229713     -6.058057      1.462695
  H      -2.219910     -6.505540      0.066140
  C      -1.650951     -2.832943      2.310472
  C      -0.270205     -3.116873      2.139803
  C       0.717452     -2.350405      2.737482
  C       0.384426     -1.253791      3.547107
  C      -0.947669     -0.944353      3.737739
  C      -1.979100     -1.703753      3.138028
  C      -3.356930     -1.411114      3.402388
  O      -4.268538     -2.315682      3.270727
  C      -3.861859     -0.116722      3.867364
  F      -5.055015     -0.263323      4.504069
  S      -3.255488      1.373943      3.611134
  C      -7.131139     -5.807757      3.167255
  C      -7.719128     -7.027379      3.604890
  C      -8.896007     -7.060271      4.333103
  C      -9.573618     -5.876806      4.663789
  C      -9.078240     -4.677279      4.198539
  C      -7.895842     -4.605662      3.418328
  C      -7.469150     -3.362694      2.847727
  O      -6.298567     -3.211357      2.345479
  C      -8.320222     -2.161919      2.719072
  F      -9.655336     -2.445027      2.692156
  S      -7.804119     -0.631346      2.557277
  C      -2.737027     -3.923286      5.261898
  C      -1.439274     -3.834308      5.834567
  C      -1.175515     -2.954891      6.866686
  C      -2.192362     -2.153345      7.425270
  C      -3.484811     -2.286637      6.967019
  C      -3.794892     -3.183205      5.913763
  C      -5.116511     -3.597037      5.591925
  O      -5.406210     -4.277398      4.552759
  C      -6.289088     -3.430467      6.501164
  F      -6.890436     -4.621482      6.725590
  S      -6.895864     -2.040135      7.033190
  H       0.043839     -3.975362      1.548775
  H       1.763452     -2.623749      2.588292
  H       1.161997     -0.665814      4.034284
  H      -1.226974     -0.117992      4.387064
  H      -7.217474     -7.972808      3.419998
  H      -9.279124     -8.023911      4.673451
  H     -10.475761     -5.902029      5.274301
  H      -9.598454     -3.756507      4.449290
  H      -0.617681     -4.396009      5.394069
  H      -0.151691     -2.862364      7.233181
  H      -1.960237     -1.443410      8.218633
  H      -4.289288     -1.695523      7.400940
  N      -5.074738     -3.974232      0.391168
  H      -6.081309     -4.140376      0.434765
  H      -4.709122     -4.495009     -0.407563
  H      -4.944555     -2.975282      0.201960
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628624780810
  N      -2.635095     -3.579631      1.685366
  C      -2.212766     -4.378587      0.541753
  C      -2.165078     -5.839234      0.940993
  N      -3.309155     -6.150433      1.865255
  C      -4.292127     -7.009172      1.161567
  C      -5.527553     -7.127873      2.002528
  N      -5.906185     -5.813278      2.526411
  Mo     -4.417448     -4.255706      2.671024
  N      -2.988364     -4.707237      4.176377
  C      -2.052607     -5.793324      3.915262
  C      -2.777810     -6.823765      3.086491
  H      -1.729400     -6.253282      4.861575
  H      -1.143305     -5.428448      3.404405
  H      -3.619514     -7.221250      3.664836
  H      -2.119373     -7.657133      2.792637
  H      -6.343179     -7.554897      1.396733
  H      -5.345134     -7.842561      2.824349
  H      -4.512177     -6.544554      0.192947
  H      -3.848328     -7.999094      0.964127
  H      -1.237205     -4.054140      0.159540
  H      -2.899972     -4.224151     -0.296570
  H      -1.228071     -6.053347      1.467934
  H      -2.214364     -6.507861      0.070149
  C      -1.650835     -2.832622      2.307519
  C      -0.270027     -3.116282      2.135684
  C       0.717741     -2.350252      2.733696
  C       0.384771     -1.254472      3.544443
  C      -0.947230     -0.945302      3.736107
  C      -1.978913     -1.704494      3.136409
  C      -3.356530     -1.411972      3.402450
  O      -4.268806     -2.315783      3.269868
  C      -3.860315     -0.118159      3.870398
  F      -5.051672     -0.265333      4.510096
  S      -3.254096      1.372679      3.614131
  C      -7.130888     -5.807305      3.165904
  C      -7.719053     -7.027216      3.602631
  C      -8.895554     -7.060226      4.331577
  C      -9.572264     -5.876729      4.663867
  C      -9.076932     -4.677068      4.199170
  C      -7.895225     -4.605170      3.417860
  C      -7.468919     -3.361692      2.847964
  O      -6.299605     -3.209655      2.343639
  C      -8.320839     -2.160723      2.724224
  F      -9.655484     -2.445777      2.690129
  S      -7.805861     -0.628697      2.576137
  C      -2.737768     -3.922326      5.261916
  C      -1.440308     -3.833584      5.835091
  C      -1.177146     -2.954500      6.867821
  C      -2.194158     -2.153420      7.426250
  C      -3.486414     -2.286251      6.967182
  C      -3.795887     -3.182096      5.913220
  C      -5.117453     -3.596068      5.591061
  O      -5.407339     -4.276561      4.552402
  C      -6.290390     -3.428176      6.499666
  F      -6.890011     -4.619520      6.727666
  S      -6.899636     -2.037340      7.027364
  H       0.043431     -3.974412      1.543912
  H       1.763745     -2.623157      2.583732
  H       1.162436     -0.666767      4.031824
  H      -1.226089     -0.119156      4.385907
  H      -7.217916     -7.972659      3.416618
  H      -9.278899     -8.024072      4.671065
  H     -10.473896     -5.902282      5.275139
  H      -9.596476     -3.756151      4.450912
  H      -0.618514     -4.395143      5.394835
  H      -0.153464     -2.862127      7.234773
  H      -1.962670     -1.444259      8.220508
  H      -4.291169     -1.695096      7.400613
  N      -5.075100     -3.976591      0.390537
  H      -6.081597     -4.142756      0.435584
  H      -4.710642     -4.498444     -0.408017
  H      -4.944694     -2.977902      0.200270
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628631533995
  N      -2.635210     -3.578794      1.681995
  C      -2.213624     -4.379987      0.539496
  C      -2.162446     -5.838807      0.943748
  N      -3.307834     -6.149893      1.866572
  C      -4.290154     -7.008615      1.161881
  C      -5.526560     -7.126800      2.001425
  N      -5.905627     -5.811802      2.524843
  Mo     -4.416049     -4.256099      2.670242
  N      -2.988300     -4.706306      4.176288
  C      -2.053188     -5.793784      3.918015
  C      -2.777512     -6.823650      3.087939
  H      -1.732957     -6.253720      4.865372
  H      -1.141788     -5.430275      3.409758
  H      -3.619412     -7.221859      3.665500
  H      -2.118335     -7.656588      2.794464
  H      -6.341785     -7.553421      1.394826
  H      -5.345284     -7.841103      2.823731
  H      -4.508639     -6.544517      0.192655
  H      -3.846754     -7.998853      0.965099
  H      -1.238949     -4.054555      0.155780
  H      -2.902264     -4.229405     -0.298317
  H      -1.226287     -6.047243      1.474336
  H      -2.207719     -6.511098      0.075504
  C      -1.650806     -2.832365      2.303887
  C      -0.269881     -3.116087      2.130555
  C       0.718246     -2.350684      2.728511
  C       0.385685     -1.255617      3.540467
  C      -0.946045     -0.946595      3.733663
  C      -1.978451     -1.705150      3.134130
  C      -3.355778     -1.412645      3.402216
  O      -4.268887     -2.315521      3.268123
  C      -3.858433     -0.119544      3.873696
  F      -5.046853     -0.267817      4.518175
  S      -3.253666      1.371722      3.615979
  C      -7.130566     -5.806397      3.164376
  C      -7.718510     -7.026529      3.600782
  C      -8.894835     -7.059774      4.330153
  C      -9.571567     -5.876524      4.663011
  C      -9.076598     -4.676739      4.198424
  C      -7.895156     -4.604548      3.416736
  C      -7.469392     -3.360318      2.847924
  O      -6.301562     -3.206958      2.341742
  C      -8.322827     -2.159307      2.729955
  F      -9.656621     -2.447285      2.684931
  S      -7.809819     -0.625385      2.600044
  C      -2.738145     -3.920992      5.261926
  C      -1.441126     -3.832454      5.835902
  C      -1.178972     -2.954279      6.869831
  C      -2.196493     -2.154298      7.428563
  C      -3.488423     -2.286855      6.968401
  C      -3.796737     -3.181323      5.913005
  C      -5.118098     -3.595325      5.590157
  O      -5.408218     -4.275709      4.551824
  C      -6.291488     -3.426433      6.498090
  F      -6.889641     -4.618056      6.728991
  S      -6.902874     -2.035066      7.021648
  H       0.042504     -3.974157      1.538197
  H       1.764184     -2.623380      2.577674
  H       1.163634     -0.668345      4.027943
  H      -1.223946     -0.120764      4.384237
  H      -7.217652     -7.972004      3.414347
  H      -9.277872     -8.023885      4.669232
  H     -10.473025     -5.902532      5.274533
  H      -9.596141     -3.755772      4.450171
  H      -0.618894     -4.393350      5.395621
  H      -0.155486     -2.861889      7.237336
  H      -1.966000     -1.446396      8.224229
  H      -4.293648     -1.696084      7.401561
  N      -5.076178     -3.978717      0.389706
  H      -6.082672     -4.144349      0.436515
  H      -4.713247     -4.501919     -0.408623
  H      -4.945118     -2.980449      0.197795
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628640037331
  N      -2.635298     -3.578383      1.678264
  C      -2.214761     -4.382032      0.536883
  C      -2.159498     -5.838587      0.947122
  N      -3.306184     -6.149453      1.868587
  C      -4.287679     -7.008257      1.162778
  C      -5.525460     -7.125432      2.000511
  N      -5.904983     -5.809793      2.522944
  Mo     -4.414007     -4.256798      2.669416
  N      -2.987241     -4.704894      4.176078
  C      -2.053106     -5.794184      3.921310
  C      -2.776911     -6.823513      3.090176
  H      -1.736745     -6.254009      4.870071
  H      -1.138961     -5.433097      3.416218
  H      -3.618988     -7.222326      3.667049
  H      -2.117211     -7.656216      2.797041
  H      -6.340104     -7.552059      1.393169
  H      -5.345502     -7.839078      2.823589
  H      -4.504110     -6.544932      0.192701
  H      -3.844709     -7.998919      0.967190
  H      -1.241337     -4.055500      0.150891
  H      -2.905455     -4.236049     -0.300121
  H      -1.224089     -6.040047      1.481616
  H      -2.199908     -6.515903      0.082528
  C      -1.650609     -2.832450      2.299471
  C      -0.269475     -3.116026      2.124122
  C       0.719139     -2.351027      2.721347
  C       0.387247     -1.256421      3.534448
  C      -0.944097     -0.947905      3.729873
  C      -1.977494     -1.706142      3.131337
  C      -3.354248     -1.413766      3.402035
  O      -4.268510     -2.315355      3.265651
  C      -3.855150     -0.121665      3.878445
  F      -5.040613     -0.271073      4.527676
  S      -3.251467      1.369910      3.619950
  C      -7.130214     -5.805214      3.162485
  C      -7.717770     -7.025524      3.598786
  C      -8.894162     -7.059190      4.328156
  C      -9.571741     -5.876477      4.660902
  C      -9.077263     -4.676530      4.196257
  C      -7.895643     -4.604002      3.414935
  C      -7.470626     -3.358617      2.847901
  O      -6.304658     -3.202927      2.340018
  C      -8.326404     -2.157645      2.737133
  F      -9.658704     -2.449627      2.674605
  S      -7.816429     -0.621251      2.633755
  C      -2.738185     -3.919457      5.262083
  C      -1.441775     -3.830693      5.837198
  C      -1.181116     -2.953669      6.872594
  C      -2.199606     -2.155352      7.431872
  C      -3.491011     -2.288076      6.970271
  C      -3.797513     -3.180810      5.912893
  C      -5.118529     -3.594832      5.589096
  O      -5.408869     -4.275056      4.551063
  C      -6.292700     -3.424793      6.496134
  F      -6.888035     -4.616849      6.732111
  S      -6.907435     -2.032318      7.012321
  H       0.041705     -3.974076      1.531170
  H       1.764996     -2.623322      2.569196
  H       1.165622     -0.669253      4.021386
  H      -1.220815     -0.122386      4.381386
  H      -7.217018     -7.971050      3.412395
  H      -9.276481     -8.023646      4.667090
  H     -10.473361     -5.903083      5.272156
  H      -9.597346     -3.755644      4.447390
  H      -0.618776     -4.390469      5.396885
  H      -0.157923     -2.860980      7.240846
  H      -1.970495     -1.448868      8.229172
  H      -4.297005     -1.698312      7.403435
  N      -5.078143     -3.979924      0.388801
  H      -6.084816     -4.143775      0.437644
  H      -4.717530     -4.504698     -0.409437
  H      -4.945470     -2.982242      0.194993
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628652355495
  N      -2.635675     -3.578096      1.672753
  C      -2.216631     -4.385388      0.533180
  C      -2.154854     -5.838448      0.952565
  N      -3.303366     -6.148830      1.872102
  C      -4.283604     -7.007560      1.164437
  C      -5.523592     -7.123255      1.999319
  N      -5.903928     -5.806949      2.520437
  Mo     -4.410693     -4.257562      2.668332
  N      -2.984797     -4.702023      4.175796
  C      -2.052256     -5.794043      3.926270
  C      -2.775719     -6.823048      3.094273
  H      -1.741578     -6.253321      4.877262
  H      -1.134146     -5.437099      3.425483
  H      -3.618319     -7.222064      3.670233
  H      -2.115799     -7.655870      2.801743
  H      -6.337145     -7.550253      1.390810
  H      -5.345434     -7.836223      2.823325
  H      -4.496832     -6.545113      0.193199
  H      -3.841031     -7.998776      0.970837
  H      -1.245485     -4.057203      0.142822
  H      -2.911037     -4.246422     -0.302057
  H      -1.220816     -6.029166      1.493279
  H      -2.187198     -6.523842      0.093967
  C      -1.650083     -2.832810      2.292257
  C      -0.268889     -3.115892      2.112892
  C       0.720919     -2.351880      2.708721
  C       0.390798     -1.258483      3.524608
  C      -0.939843     -0.950738      3.724162
  C      -1.975159     -1.707799      3.126952
  C      -3.350859     -1.415394      3.401552
  O      -4.267118     -2.314790      3.261682
  C      -3.848952     -0.124584      3.885035
  F      -5.029722     -0.275705      4.541951
  S      -3.247532      1.367569      3.625009
  C      -7.129430     -5.803616      3.159910
  C      -7.716627     -7.024121      3.596067
  C      -8.893369     -7.058460      4.324940
  C      -9.572734     -5.876628      4.657018
  C      -9.078688     -4.676469      4.192455
  C      -7.896211     -4.603473      3.412615
  C      -7.472845     -3.356295      2.848356
  O      -6.309673     -3.196098      2.338514
  C      -8.333304     -2.156123      2.747952
  F      -9.662481     -2.455007      2.656851
  S      -7.829723     -0.616281      2.685772
  C      -2.738182     -3.916925      5.262782
  C      -1.442890     -3.827865      5.840190
  C      -1.184688     -2.952674      6.877791
  C      -2.204854     -2.156708      7.437544
  C      -3.495323     -2.289928      6.973491
  C      -3.798854     -3.180229      5.913169
  C      -5.119323     -3.594168      5.587487
  O      -5.409494     -4.273880      4.549464
  C      -6.295029     -3.423044      6.492908
  F      -6.886096     -4.615735      6.736010
  S      -6.914754     -2.028906      6.997864
  H       0.040439     -3.973319      1.518113
  H       1.766510     -2.623643      2.553771
  H       1.170234     -0.671975      4.010641
  H      -1.214501     -0.126504      4.378173
  H      -7.215896     -7.969712      3.410028
  H      -9.274670     -8.023389      4.663731
  H     -10.475055     -5.904060      5.267171
  H      -9.600009     -3.755771      4.442208
  H      -0.618639     -4.386115      5.400188
  H      -0.162104     -2.859675      7.247657
  H      -1.977852     -1.452003      8.236979
  H      -4.302626     -1.702134      7.406944
  N      -5.082166     -3.979829      0.387528
  H      -6.089242     -4.139786      0.439967
  H      -4.725946     -4.507263     -0.410803
  H      -4.946297     -2.983149      0.190808
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628677558193
  N      -2.636393     -3.578021      1.662112
  C      -2.220438     -4.392673      0.526294
  C      -2.146130     -5.838885      0.963392
  N      -3.297734     -6.147971      1.879655
  C      -4.275776     -7.006242      1.168334
  C      -5.519915     -7.119396      1.997708
  N      -5.901992     -5.802347      2.516635
  Mo     -4.403962     -4.258929      2.666836
  N      -2.979535     -4.696185      4.175844
  C      -2.050192     -5.793383      3.936331
  C      -2.773256     -6.822224      3.103276
  H      -1.749881     -6.251094      4.891541
  H      -1.125026     -5.444528      3.443009
  H      -3.617349     -7.220583      3.677505
  H      -2.113619     -7.655831      2.812082
  H      -6.331134     -7.547187      1.386639
  H      -5.345111     -7.831656      2.823034
  H      -4.483004     -6.544916      0.195229
  H      -3.833683     -7.998366      0.978458
  H      -1.254274     -4.062096      0.125795
  H      -2.922497     -4.267053     -0.304717
  H      -1.214564     -6.008944      1.514938
  H      -2.163013     -6.539345      0.116464
  C      -1.648428     -2.833806      2.277737
  C      -0.267343     -3.115177      2.090034
  C       0.724858     -2.353169      2.683343
  C       0.398512     -1.262673      3.505424
  C      -0.930805     -0.956752      3.713288
  C      -1.969705     -1.711644      3.118648
  C      -3.343112     -1.418972      3.400582
  O      -4.263573     -2.313683      3.254260
  C      -3.835078     -0.130186      3.896838
  F      -5.008547     -0.283430      4.565825
  S      -3.235962      1.362558      3.635989
  C      -7.128083     -5.801236      3.154932
  C      -7.715327     -7.022327      3.589557
  C      -8.893289     -7.058230      4.316427
  C      -9.576096     -5.878060      4.647542
  C      -9.082210     -4.677397      4.184185
  C      -7.897554     -4.603223      3.407969
  C      -7.477504     -3.352297      2.850031
  O      -6.319619     -3.181814      2.337467
  C      -8.347954     -2.154395      2.770219
  F      -9.668582     -2.465288      2.616038
  S      -7.859737     -0.610400      2.797196
  C      -2.737945     -3.911763      5.264751
  C      -1.444802     -3.822004      5.846656
  C      -1.191148     -2.949804      6.887889
  C      -2.214459     -2.157760      7.447837
  C      -3.503128     -2.292138      6.979141
  C      -3.801217     -3.178494      5.913885
  C      -5.120819     -3.592299      5.584579
  O      -5.410186     -4.271108      4.546433
  C      -6.299655     -3.419512      6.486781
  F      -6.882274     -4.613284      6.743665
  S      -6.929376     -2.022435      6.969646
  H       0.039111     -3.970610      1.491029
  H       1.769871     -2.623646      2.522286
  H       1.180186     -0.677661      3.989628
  H      -1.201815     -0.135562      4.372680
  H      -7.214365     -7.967875      3.403891
  H      -9.273270     -8.024080      4.654188
  H     -10.480181     -5.907147      5.254928
  H      -9.605790     -3.757127      4.431850
  H      -0.618284     -4.377957      5.407830
  H      -0.169836     -2.856375      7.261170
  H      -1.991210     -1.455671      8.250566
  H      -4.312902     -1.708091      7.413080
  N      -5.090801     -3.977688      0.386086
  H      -6.098765     -4.128841      0.445770
  H      -4.744167     -4.510568     -0.412758
  H      -4.947929     -2.983059      0.184033
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628719348567
  N      -2.636481     -3.579060      1.649897
  C      -2.225238     -4.402657      0.518571
  C      -2.136315     -5.840354      0.977082
  N      -3.290437     -6.147552      1.890873
  C      -4.266300     -7.005558      1.176042
  C      -5.514966     -7.115303      1.999387
  N      -5.900223     -5.797055      2.513566
  Mo     -4.394324     -4.261027      2.666779
  N      -2.971312     -4.689340      4.177217
  C      -2.045628     -5.792199      3.949390
  C      -2.768553     -6.821467      3.116056
  H      -1.756765     -6.247391      4.909490
  H      -1.112756     -5.453266      3.463869
  H      -3.614290     -7.218597      3.688755
  H      -2.109779     -7.656184      2.825910
  H      -6.322945     -7.545937      1.385957
  H      -5.343268     -7.825666      2.827085
  H      -4.466991     -6.545612      0.200869
  H      -3.824582     -7.998724      0.990995
  H      -1.265457     -4.070602      0.104325
  H      -2.936737     -4.292349     -0.306548
  H      -1.206871     -5.984431      1.539290
  H      -2.135227     -6.558709      0.144954
  C      -1.645213     -2.835256      2.258931
  C      -0.264497     -3.112433      2.058111
  C       0.730887     -2.352998      2.647991
  C       0.409906     -1.267846      3.480300
  C      -0.917614     -0.965461      3.700506
  C      -1.961207     -1.717403      3.109061
  C      -3.331337     -1.424523      3.400623
  O      -4.257580     -2.312371      3.245466
  C      -3.814985     -0.137941      3.912846
  F      -4.979300     -0.293657      4.596723
  S      -3.218787      1.355448      3.651268
  C      -7.127216     -5.798255      3.149147
  C      -7.715109     -7.019760      3.582533
  C      -8.896755     -7.057223      4.303254
  C      -9.586441     -5.879172      4.628437
  C      -9.091671     -4.678409      4.166635
  C      -7.901096     -4.603141      3.399864
  C      -7.485386     -3.347266      2.851500
  O      -6.334084     -3.159983      2.338850
  C      -8.372779     -2.155125      2.797991
  F      -9.674001     -2.479855      2.541700
  S      -7.915732     -0.612735      2.960544
  C      -2.736206     -3.905550      5.268363
  C      -1.445443     -3.814065      5.855057
  C      -1.196894     -2.944306      6.899488
  C      -2.223921     -2.156256      7.458597
  C      -3.510673     -2.293160      6.985105
  C      -3.802794     -3.176578      5.915678
  C      -5.121897     -3.590425      5.582233
  O      -5.409785     -4.267389      4.542947
  C      -6.304057     -3.418030      6.481281
  F      -6.883939     -4.612033      6.742126
  S      -6.938182     -2.019222      6.953055
  H       0.038852     -3.963796      1.451865
  H       1.775066     -2.620807      2.477260
  H       1.194763     -0.685160      3.962083
  H      -1.184019     -0.149685      4.368483
  H      -7.212479     -7.965093      3.400341
  H      -9.275524     -8.023827      4.640369
  H     -10.495145     -5.910051      5.228686
  H      -9.619812     -3.758525      4.408026
  H      -0.616341     -4.367666      5.417923
  H      -0.177073     -2.849834      7.276596
  H      -2.004747     -1.455530      8.263567
  H      -4.323159     -1.713140      7.419253
  N      -5.101993     -3.972599      0.386772
  H      -6.111128     -4.111265      0.454893
  H      -4.767447     -4.512777     -0.412505
  H      -4.949353     -2.980846      0.177808
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628787114094
  N      -2.633382     -3.583921      1.642772
  C      -2.228244     -4.413228      0.513400
  C      -2.131465     -5.845538      0.986334
  N      -3.284355     -6.149397      1.902320
  C      -4.260104     -7.007889      1.187421
  C      -5.510918     -7.113892      2.008038
  N      -5.900240     -5.793889      2.513785
  Mo     -4.383764     -4.263582      2.668784
  N      -2.960696     -4.683990      4.180359
  C      -2.036761     -5.789094      3.958611
  C      -2.761231     -6.820865      3.128791
  H      -1.751719     -6.241109      4.921468
  H      -1.101123     -5.457006      3.473891
  H      -3.607552     -7.215321      3.702563
  H      -2.104503     -7.657213      2.838801
  H      -6.315915     -7.550863      1.394989
  H      -5.339217     -7.820396      2.839343
  H      -4.457718     -6.548896      0.211092
  H      -3.818377     -8.001788      1.006616
  H      -1.273519     -4.083745      0.086011
  H      -2.947150     -4.311167     -0.306148
  H      -1.199717     -5.970105      1.549441
  H      -2.121077     -6.576365      0.165119
  C      -1.639339     -2.837529      2.242771
  C      -0.259109     -3.107440      2.027838
  C       0.738685     -2.349823      2.614738
  C       0.422594     -1.271523      3.458904
  C      -0.903372     -0.974246      3.691307
  C      -1.950747     -1.723864      3.102178
  C      -3.317773     -1.430423      3.400189
  O      -4.249416     -2.311148      3.235797
  C      -3.794728     -0.144053      3.921993
  F      -4.956514     -0.299346      4.610448
  S      -3.197598      1.348913      3.663418
  C      -7.127677     -5.796099      3.146054
  C      -7.716937     -7.017525      3.579460
  C      -8.904914     -7.056144      4.289333
  C      -9.604704     -5.880276      4.602282
  C      -9.107506     -4.680021      4.142261
  C      -7.906900     -4.603921      3.391546
  C      -7.495892     -3.342867      2.854317
  O      -6.351073     -3.134563      2.345563
  C      -8.405479     -2.160562      2.824360
  F      -9.673501     -2.493734      2.444159
  S      -7.997244     -0.632333      3.143873
  C      -2.731992     -3.901223      5.273421
  C      -1.442977     -3.807071      5.863785
  C      -1.198704     -2.938611      6.909987
  C      -2.229181     -2.153666      7.467699
  C      -3.514313     -2.293834      6.990550
  C      -3.801748     -3.176057      5.918688
  C      -5.121030     -3.588942      5.580758
  O      -5.406652     -4.263525      4.539155
  C      -6.306567     -3.418294      6.476441
  F      -6.890398     -4.611114      6.731370
  S      -6.938015     -2.017701      6.947401
  H       0.043405     -3.952919      1.413030
  H       1.782120     -2.613649      2.433515
  H       1.210353     -0.691236      3.938717
  H      -1.166656     -0.165366      4.368840
  H      -7.210734     -7.962350      3.404487
  H      -9.283128     -8.022898      4.626813
  H     -10.521105     -5.912483      5.190486
  H      -9.642363     -3.760511      4.372965
  H      -0.611741     -4.358903      5.428239
  H      -0.180272     -2.842696      7.290519
  H      -2.012926     -1.452563      8.273074
  H      -4.328907     -1.717006      7.424714
  N      -5.111526     -3.960269      0.391806
  H      -6.122256     -4.083829      0.464146
  H      -4.786670     -4.506183     -0.408085
  H      -4.946890     -2.971331      0.178330
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.628914916662
  N      -2.628070     -3.591357      1.637459
  C      -2.229734     -4.424020      0.508310
  C      -2.128239     -5.853469      0.990646
  N      -3.278402     -6.152273      1.910979
  C      -4.255714     -7.011108      1.198048
  C      -5.506738     -7.114546      2.018367
  N      -5.900935     -5.793363      2.514979
  Mo     -4.373301     -4.265137      2.669935
  N      -2.950807     -4.678058      4.183874
  C      -2.026344     -5.782381      3.963246
  C      -2.752431     -6.819004      3.139447
  H      -1.737680     -6.230605      4.926794
  H      -1.092885     -5.452473      3.472972
  H      -3.599020     -7.209607      3.715622
  H      -2.097682     -7.657175      2.850589
  H      -6.308873     -7.558982      1.406653
  H      -5.333132     -7.816990      2.853156
  H      -4.453093     -6.551620      0.221773
  H      -3.813744     -8.005295      1.019647
  H      -1.279101     -4.098785      0.069092
  H      -2.955105     -4.325487     -0.305845
  H      -1.194761     -5.964481      1.553893
  H      -2.113177     -6.592363      0.176763
  C      -1.631500     -2.841455      2.227921
  C      -0.252207     -3.103942      1.999983
  C       0.747785     -2.349350      2.586349
  C       0.436581     -1.279275      3.443594
  C      -0.888008     -0.985924      3.685819
  C      -1.938534     -1.731664      3.096016
  C      -3.302986     -1.435305      3.396276
  O      -4.239910     -2.308719      3.223717
  C      -3.774056     -0.147044      3.921250
  F      -4.940570     -0.298306      4.603235
  S      -3.170171      1.344121      3.670786
  C      -7.128074     -5.796049      3.144463
  C      -7.720039     -7.017993      3.575469
  C      -8.914071     -7.058501      4.274569
  C      -9.622491     -5.884794      4.578274
  C      -9.121455     -4.684478      4.123330
  C      -7.910962     -4.606346      3.388873
  C      -7.506142     -3.339390      2.864073
  O      -6.369604     -3.109092      2.356011
  C      -8.439393     -2.169321      2.859606
  F      -9.663862     -2.499344      2.355841
  S      -8.091956     -0.671440      3.338919
  C      -2.728556     -3.896462      5.278662
  C      -1.441368     -3.799544      5.873174
  C      -1.202087     -2.932890      6.921689
  C      -2.236363     -2.151535      7.478060
  C      -3.519384     -2.293932      6.996047
  C      -3.801653     -3.173946      5.920801
  C      -5.120911     -3.584136      5.576343
  O      -5.402991     -4.256950      4.532629
  C      -6.311805     -3.410260      6.464766
  F      -6.896230     -4.600867      6.725525
  S      -6.945195     -2.003823      6.915369
  H       0.051049     -3.942240      1.375753
  H       1.790302     -2.609896      2.395318
  H       1.227230     -0.703234      3.923642
  H      -1.149304     -0.184598      4.372932
  H      -7.210930     -7.962126      3.405188
  H      -9.293187     -8.025694      4.609911
  H     -10.546477     -5.918949      5.154222
  H      -9.661704     -3.765256      4.346023
  H      -0.607807     -4.349289      5.439235
  H      -0.185352     -2.835764      7.306475
  H      -2.023306     -1.451165      8.284914
  H      -4.336557     -1.720596      7.429920
  N      -5.119385     -3.943449      0.400258
  H      -6.131611     -4.051768      0.475281
  H      -4.802337     -4.494211     -0.399165
  H      -4.942254     -2.957253      0.183697
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629088658187
  N      -2.618186     -3.602547      1.640808
  C      -2.227896     -4.433074      0.507977
  C      -2.129983     -5.866332      0.986079
  N      -3.273804     -6.158137      1.914503
  C      -4.256857     -7.016010      1.207532
  C      -5.503445     -7.120435      2.033463
  N      -5.903861     -5.799777      2.521328
  Mo     -4.365368     -4.263559      2.673133
  N      -2.944393     -4.674246      4.191242
  C      -2.015230     -5.771697      3.960215
  C      -2.742764     -6.816903      3.145904
  H      -1.707038     -6.215792      4.919289
  H      -1.094858     -5.433053      3.451155
  H      -3.589234     -7.201509      3.726533
  H      -2.089712     -7.657051      2.859979
  H      -6.303367     -7.573208      1.424470
  H      -5.323993     -7.819672      2.870392
  H      -4.460675     -6.552078      0.234478
  H      -3.814681     -8.009562      1.026002
  H      -1.278980     -4.114006      0.060797
  H      -2.957609     -4.326642     -0.300997
  H      -1.192176     -5.979850      1.542031
  H      -2.123269     -6.599747      0.167415
  C      -1.619568     -2.849028      2.222673
  C      -0.241920     -3.106058      1.987575
  C       0.759206     -2.355122      2.577725
  C       0.451643     -1.292369      3.445301
  C      -0.872556     -0.998493      3.689143
  C      -1.923702     -1.739832      3.094229
  C      -3.287522     -1.434868      3.384846
  O      -4.228190     -2.302381      3.211413
  C      -3.756961     -0.136814      3.889353
  F      -4.947416     -0.272346      4.533771
  S      -3.131352      1.347613      3.655090
  C      -7.130589     -5.800903      3.146394
  C      -7.729205     -7.024733      3.568124
  C      -8.931272     -7.068699      4.252270
  C      -9.646115     -5.896777      4.550826
  C      -9.136679     -4.695157      4.110409
  C      -7.914330     -4.612323      3.395751
  C      -7.515833     -3.338571      2.887266
  O      -6.387664     -3.085302      2.378681
  C      -8.472034     -2.182353      2.905096
  F      -9.645030     -2.497818      2.286065
  S      -8.191401     -0.729182      3.533648
  C      -2.725311     -3.891078      5.284471
  C      -1.438477     -3.790565      5.880225
  C      -1.201865     -2.922212      6.927719
  C      -2.238272     -2.140783      7.479709
  C      -3.519957     -2.283834      6.994200
  C      -3.801014     -3.166689      5.921117
  C      -5.120733     -3.575992      5.571301
  O      -5.395943     -4.247628      4.523739
  C      -6.314133     -3.405987      6.455029
  F      -6.910445     -4.594573      6.696928
  S      -6.939997     -1.999230      6.917751
  H       0.066045     -3.937014      1.355802
  H       1.800787     -2.615115      2.380926
  H       1.244634     -0.722731      3.929000
  H      -1.135416     -0.202235      4.381207
  H      -7.216961     -7.967371      3.399269
  H      -9.315473     -8.036854      4.579001
  H     -10.579284     -5.934082      5.111446
  H      -9.679587     -3.775838      4.330588
  H      -0.604117     -4.340427      5.447972
  H      -0.186540     -2.824029      7.315969
  H      -2.026475     -1.438692      8.285568
  H      -4.338579     -1.710247      7.425105
  N      -5.123165     -3.919599      0.418316
  H      -6.136654     -4.014932      0.493953
  H      -4.811088     -4.472747     -0.381164
  H      -4.934881     -2.935131      0.202920
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629100939967
  N      -2.613118     -3.608779      1.631984
  C      -2.228911     -4.444387      0.501151
  C      -2.123946     -5.873654      0.991205
  N      -3.266878     -6.160430      1.921981
  C      -4.250783     -7.018469      1.215842
  C      -5.498422     -7.120910      2.039915
  N      -5.903484     -5.799301      2.520452
  Mo     -4.354773     -4.265834      2.671684
  N      -2.937712     -4.669104      4.194005
  C      -2.008397     -5.766772      3.966994
  C      -2.735628     -6.815049      3.156004
  H      -1.699627     -6.207606      4.927359
  H      -1.088447     -5.430231      3.455765
  H      -3.583283     -7.196569      3.737070
  H      -2.083134     -7.656464      2.872883
  H      -6.295208     -7.578682      1.430298
  H      -5.319297     -7.816708      2.879960
  H      -4.453379     -6.553992      0.242718
  H      -3.808714     -8.012342      1.035982
  H      -1.284455     -4.127728      0.043013
  H      -2.965252     -4.344181     -0.302809
  H      -1.186318     -5.972524      1.549981
  H      -2.111732     -6.615100      0.179857
  C      -1.612902     -2.852079      2.205563
  C      -0.236330     -3.101830      1.956914
  C       0.766912     -2.353872      2.546689
  C       0.463715     -1.300221      3.427462
  C      -0.859075     -1.010410      3.681593
  C      -1.913347     -1.747488      3.085660
  C      -3.274930     -1.440759      3.381289
  O      -4.220506     -2.301628      3.199134
  C      -3.737514     -0.144980      3.899009
  F      -4.927411     -0.282255      4.544746
  S      -3.108876      1.340168      3.677691
  C      -7.130214     -5.801427      3.142833
  C      -7.731528     -7.026430      3.560085
  C      -8.937177     -7.072553      4.237455
  C      -9.656945     -5.902416      4.533010
  C      -9.144527     -4.700329      4.098465
  C      -7.916155     -4.615046      3.394296
  C      -7.524344     -3.335220      2.897970
  O      -6.406669     -3.061895      2.385362
  C      -8.499985     -2.190746      2.949619
  F      -9.618606     -2.470159      2.222553
  S      -8.286658     -0.800029      3.721785
  C      -2.724331     -3.885844      5.288387
  C      -1.440357     -3.785219      5.890398
  C      -1.209251     -2.918922      6.940807
  C      -2.248711     -2.139679      7.490238
  C      -3.527699     -2.282206      6.997825
  C      -3.802791     -3.161361      5.920034
  C      -5.121841     -3.566844      5.562936
  O      -5.394071     -4.239156      4.516119
  C      -6.322507     -3.382865      6.434580
  F      -6.911350     -4.568131      6.707364
  S      -6.960632     -1.965092      6.841606
  H       0.071330     -3.925496      1.315461
  H       1.807501     -2.609961      2.339729
  H       1.259399     -0.734919      3.911781
  H      -1.119585     -0.221544      4.382886
  H      -7.218272     -7.968610      3.391949
  H      -9.322479     -8.041645      4.560174
  H     -10.594850     -5.942233      5.085389
  H      -9.690167     -3.780911      4.314674
  H      -0.603824     -4.334250      5.461151
  H      -0.195876     -2.820956      7.334227
  H      -2.040726     -1.439963      8.299113
  H      -4.349030     -1.710784      7.426598
  N      -5.128571     -3.907593      0.427489
  H      -6.143005     -3.990054      0.505872
  H      -4.823935     -4.465480     -0.371184
  H      -4.929169     -2.925876      0.209360
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629019417325
  N      -2.612378     -3.603811      1.634340
  C      -2.224341     -4.437783      0.505104
  C      -2.120884     -5.869878      0.987639
  N      -3.270081     -6.159532      1.910924
  C      -4.254406     -7.013851      1.201344
  C      -5.500674     -7.123103      2.025079
  N      -5.902378     -5.803213      2.517396
  Mo     -4.362807     -4.266909      2.665791
  N      -2.955305     -4.678518      4.194347
  C      -2.026491     -5.777348      3.967174
  C      -2.748346     -6.818692      3.145222
  H      -1.718401     -6.222593      4.925462
  H      -1.106831     -5.431542      3.460755
  H      -3.598165     -7.203808      3.720527
  H      -2.089994     -7.657447      2.867951
  H      -6.299833     -7.568116      1.409392
  H      -5.326935     -7.822996      2.861568
  H      -4.458472     -6.544556      0.231116
  H      -3.815437     -8.007174      1.010692
  H      -1.277371     -4.111828      0.057206
  H      -2.958669     -4.336912     -0.301903
  H      -1.190174     -5.989035      1.552127
  H      -2.121546     -6.594213      0.160938
  C      -1.617239     -2.847655      2.216771
  C      -0.240361     -3.103353      1.973304
  C       0.760955     -2.353116      2.565249
  C       0.451295     -1.297415      3.439116
  C      -0.872956     -1.003688      3.687328
  C      -1.923927     -1.741900      3.088778
  C      -3.289878     -1.438916      3.387204
  O      -4.229610     -2.308750      3.211586
  C      -3.757013     -0.158031      3.930407
  F      -4.939070     -0.317560      4.585464
  S      -3.135692      1.336574      3.738229
  C      -7.129806     -5.805624      3.144399
  C      -7.727248     -7.033766      3.556839
  C      -8.924476     -7.082828      4.249703
  C      -9.631952     -5.911811      4.566938
  C      -9.125171     -4.707315      4.133964
  C      -7.909721     -4.617350      3.407119
  C      -7.516513     -3.340275      2.899598
  O      -6.396708     -3.087201      2.372276
  C      -8.474154     -2.186157      2.927899
  F      -9.634653     -2.491980      2.279909
  S      -8.196913     -0.737014      3.566888
  C      -2.729626     -3.887936      5.281538
  C      -1.446547     -3.800013      5.885388
  C      -1.210267     -2.928690      6.931932
  C      -2.241773     -2.135949      7.473423
  C      -3.521608     -2.265672      6.979696
  C      -3.802898     -3.148268      5.906810
  C      -5.120422     -3.556657      5.554729
  O      -5.396335     -4.240984      4.517862
  C      -6.319463     -3.344726      6.418170
  F      -6.903702     -4.524997      6.731256
  S      -6.972546     -1.920597      6.770852
  H       0.063657     -3.931546      1.335748
  H       1.802340     -2.609708      2.363043
  H       1.244163     -0.730611      3.926738
  H      -1.134821     -0.207971      4.380310
  H      -7.217746     -7.975260      3.375346
  H      -9.309045     -8.053957      4.566718
  H     -10.560213     -5.955145      5.135487
  H      -9.662894     -3.787771      4.365055
  H      -0.614863     -4.359419      5.460658
  H      -0.196006     -2.837480      7.324666
  H      -2.031165     -1.437086      8.282456
  H      -4.339208     -1.681157      7.398434
  N      -5.115168     -3.920393      0.431924
  H      -6.129133     -4.016257      0.506824
  H      -4.808711     -4.470945     -0.371491
  H      -4.924041     -2.934837      0.224714
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629222996658
  N      -2.611612     -3.602499      1.637416
  C      -2.231297     -4.440118      0.506678
  C      -2.125006     -5.868790      0.994021
  N      -3.270806     -6.157445      1.920863
  C      -4.257988     -7.013278      1.216953
  C      -5.502120     -7.117073      2.045040
  N      -5.904294     -5.792325      2.525868
  Mo     -4.359309     -4.263644      2.672508
  N      -2.942211     -4.673722      4.195278
  C      -2.014387     -5.772723      3.966702
  C      -2.742301     -6.815092      3.151880
  H      -1.704183     -6.216757      4.925094
  H      -1.094403     -5.431261      3.457509
  H      -3.587784     -7.199777      3.733653
  H      -2.086023     -7.654631      2.871221
  H      -6.302460     -7.569884      1.436764
  H      -5.323934     -7.808675      2.887404
  H      -4.464130     -6.547769      0.245054
  H      -3.821401     -8.008130      1.028756
  H      -1.288573     -4.115829      0.049456
  H      -2.972903     -4.343490     -0.294050
  H      -1.190907     -5.982963      1.554560
  H      -2.126542     -6.598313      0.171999
  C      -1.616520     -2.844858      2.215880
  C      -0.238670     -3.101246      1.971237
  C       0.762940     -2.351710      2.561890
  C       0.454355     -1.295024      3.435727
  C      -0.868739     -1.001805      3.687224
  C      -1.921878     -1.740895      3.092623
  C      -3.287229     -1.435575      3.388798
  O      -4.228790     -2.300631      3.203600
  C      -3.756361     -0.146916      3.915888
  F      -4.949262     -0.293529      4.552997
  S      -3.124859      1.341844      3.718414
  C      -7.131227     -5.792018      3.155037
  C      -7.726399     -7.016792      3.579738
  C      -8.933996     -7.063243      4.254578
  C      -9.658153     -5.893883      4.537833
  C      -9.150658     -4.692389      4.097428
  C      -7.919385     -4.604781      3.397622
  C      -7.528787     -3.330303      2.882867
  O      -6.405363     -3.067012      2.375147
  C      -8.513724     -2.194878      2.854185
  F      -9.621099     -2.529402      2.133234
  S      -8.314444     -0.742254      3.510848
  C      -2.714915     -3.885316      5.283030
  C      -1.427806     -3.793670      5.877970
  C      -1.187827     -2.927046      6.927322
  C      -2.219974     -2.142487      7.478745
  C      -3.503165     -2.277414      6.993644
  C      -3.789137     -3.157288      5.919894
  C      -5.107958     -3.572234      5.572844
  O      -5.384705     -4.243343      4.523995
  C      -6.291221     -3.417424      6.467000
  F      -6.905708     -4.609210      6.662323
  S      -6.906285     -2.029350      6.996787
  H       0.062002     -3.931428      1.335305
  H       1.804365     -2.608261      2.359800
  H       1.247774     -0.727856      3.922021
  H      -1.127397     -0.206312      4.381542
  H      -7.209473     -7.958053      3.419522
  H      -9.315231     -8.032413      4.581627
  H     -10.597964     -5.935807      5.087106
  H      -9.699880     -3.773123      4.302847
  H      -0.596887     -4.347477      5.444536
  H      -0.171667     -2.833932      7.314669
  H      -2.007832     -1.444153      8.287909
  H      -4.319283     -1.697309      7.420519
  N      -5.126088     -3.911221      0.438058
  H      -6.140459     -3.997093      0.516769
  H      -4.831186     -4.463587     -0.369132
  H      -4.928040     -2.927726      0.227369
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629283565555
  N      -2.609610     -3.602588      1.629949
  C      -2.220098     -4.439432      0.500195
  C      -2.128754     -5.871692      0.981274
  N      -3.271999     -6.158496      1.910948
  C      -4.257553     -7.019856      1.211108
  C      -5.503143     -7.120006      2.039602
  N      -5.904174     -5.795149      2.519683
  Mo     -4.359732     -4.262408      2.662048
  N      -2.944411     -4.666233      4.185341
  C      -2.013028     -5.763111      3.955113
  C      -2.741289     -6.810299      3.145251
  H      -1.702775     -6.206248      4.913970
  H      -1.093134     -5.424127      3.444938
  H      -3.586237     -7.193581      3.728686
  H      -2.086400     -7.651245      2.864752
  H      -6.302630     -7.576399      1.432782
  H      -5.324181     -7.813036      2.881466
  H      -4.464444     -6.560825      0.235877
  H      -3.817834     -8.014788      1.030757
  H      -1.268170     -4.125376      0.056475
  H      -2.946363     -4.335567     -0.311810
  H      -1.186480     -5.986914      1.529778
  H      -2.129972     -6.604002      0.161817
  C      -1.615383     -2.849690      2.216370
  C      -0.235081     -3.109195      1.988466
  C       0.762977     -2.359977      2.584805
  C       0.450904     -1.296859      3.450542
  C      -0.873452     -1.001470      3.687946
  C      -1.923716     -1.741596      3.088625
  C      -3.288797     -1.432851      3.371726
  O      -4.231255     -2.296586      3.184749
  C      -3.760516     -0.130886      3.864033
  F      -4.967225     -0.255892      4.480233
  S      -3.120745      1.349603      3.641850
  C      -7.130897     -5.794012      3.146394
  C      -7.731575     -7.016689      3.570290
  C      -8.932197     -7.058768      4.257039
  C      -9.646224     -5.886603      4.556690
  C      -9.135924     -4.686250      4.114847
  C      -7.914893     -4.605449      3.398092
  C      -7.525361     -3.331918      2.883923
  O      -6.407212     -3.072165      2.361655
  C      -8.485588     -2.176257      2.916976
  F      -9.635935     -2.473528      2.249284
  S      -8.233195     -0.748785      3.610339
  C      -2.724683     -3.883814      5.278828
  C      -1.437385     -3.778555      5.873067
  C      -1.205532     -2.917881      6.928283
  C      -2.246813     -2.151064      7.491422
  C      -3.527855     -2.297782      7.005552
  C      -3.802956     -3.167392      5.920229
  C      -5.120958     -3.576792      5.565995
  O      -5.397941     -4.237564      4.512925
  C      -6.310063     -3.430146      6.461837
  F      -6.872913     -4.633085      6.718578
  S      -6.961656     -2.038689      6.931800
  H       0.074269     -3.942223      1.360808
  H       1.805364     -2.621409      2.394129
  H       1.241464     -0.728635      3.940005
  H      -1.137251     -0.204202      4.378256
  H      -7.221961     -7.960660      3.401710
  H      -9.315906     -8.026832      4.584726
  H     -10.578745     -5.924116      5.118369
  H      -9.676469     -3.764511      4.333266
  H      -0.599051     -4.317008      5.434380
  H      -0.189758     -2.815439      7.314309
  H      -2.040518     -1.457496      8.306012
  H      -4.350456     -1.733441      7.441665
  N      -5.113345     -3.922286      0.427279
  H      -6.127134     -4.018369      0.495994
  H      -4.796684     -4.476778     -0.369641
  H      -4.920135     -2.938651      0.212786
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629530096318
  N      -2.604297     -3.610803      1.630413
  C      -2.221082     -4.449708      0.501528
  C      -2.119149     -5.879555      0.990667
  N      -3.265301     -6.164681      1.918570
  C      -4.253028     -7.020632      1.215361
  C      -5.499739     -7.121165      2.041466
  N      -5.904913     -5.795833      2.516801
  Mo     -4.351116     -4.268700      2.665923
  N      -2.940830     -4.672956      4.193977
  C      -2.011716     -5.772131      3.967821
  C      -2.738575     -6.818024      3.154169
  H      -1.703185     -6.214699      4.927397
  H      -1.091091     -5.433108      3.459016
  H      -3.585861     -7.200496      3.734883
  H      -2.083059     -7.659271      2.876543
  H      -6.296828     -7.578892      1.432363
  H      -5.322489     -7.811515      2.885757
  H      -4.457570     -6.556031      0.242365
  H      -3.816449     -8.016143      1.030589
  H      -1.274977     -4.130543      0.047813
  H      -2.958317     -4.353482     -0.302568
  H      -1.183470     -5.988651      1.550266
  H      -2.116390     -6.614122      0.173149
  C      -1.610565     -2.852609      2.208660
  C      -0.232034     -3.102747      1.962129
  C       0.768263     -2.352460      2.553357
  C       0.459579     -1.298129      3.431095
  C      -0.863630     -1.008689      3.682606
  C      -1.916320     -1.747429      3.085673
  C      -3.280310     -1.441305      3.378378
  O      -4.223732     -2.302274      3.186202
  C      -3.750821     -0.151822      3.902674
  F      -4.957417     -0.295275      4.515734
  S      -3.112754      1.335267      3.719639
  C      -7.132210     -5.796982      3.141637
  C      -7.733153     -7.022309      3.558730
  C      -8.939441     -7.069783      4.235582
  C      -9.660367     -5.901052      4.531673
  C      -9.147574     -4.698356      4.100087
  C      -7.918602     -4.611215      3.397499
  C      -7.533481     -3.330228      2.898876
  O      -6.421610     -3.051240      2.379671
  C      -8.510499     -2.185550      2.953074
  F      -9.607663     -2.449813      2.189601
  S      -8.313913     -0.806703      3.750036
  C      -2.721497     -3.884518      5.283271
  C      -1.436734     -3.782697      5.882669
  C      -1.204643     -2.912402      6.930187
  C      -2.242537     -2.129960      7.476691
  C      -3.522024     -2.270474      6.984746
  C      -3.799182     -3.154421      5.911609
  C      -5.117024     -3.566512      5.558847
  O      -5.391409     -4.235364      4.510629
  C      -6.310312     -3.392092      6.440478
  F      -6.904625     -4.582265      6.689315
  S      -6.943431     -1.986892      6.895627
  H       0.074023     -3.929186      1.323633
  H       1.809809     -2.607132      2.349377
  H       1.252613     -0.731042      3.917943
  H      -1.124562     -0.216308      4.379635
  H      -7.220339     -7.964756      3.391335
  H      -9.323055     -8.040127      4.556530
  H     -10.599038     -5.944098      5.082603
  H      -9.691442     -3.777193      4.315129
  H      -0.600375     -4.331505      5.453012
  H      -0.190171     -2.813004      7.320406
  H      -2.035880     -1.429200      8.285060
  H      -4.342658     -1.693940      7.408156
  N      -5.116798     -3.909131      0.443401
  H      -6.131505     -3.992894      0.517648
  H      -4.814739     -4.465760     -0.356860
  H      -4.913547     -2.927305      0.229487
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629657138663
  N      -2.599619     -3.612040      1.630100
  C      -2.221408     -4.452790      0.501528
  C      -2.118600     -5.881332      0.993423
  N      -3.264869     -6.165010      1.922204
  C      -4.255057     -7.020165      1.221558
  C      -5.500152     -7.119049      2.049660
  N      -5.906289     -5.791085      2.519384
  Mo     -4.347557     -4.270081      2.665723
  N      -2.937970     -4.673583      4.195996
  C      -2.010011     -5.773566      3.970782
  C      -2.737660     -6.817989      3.157062
  H      -1.701028     -6.216177      4.930252
  H      -1.089056     -5.433896      3.462406
  H      -3.583836     -7.200713      3.739117
  H      -2.081246     -7.659023      2.880895
  H      -6.297912     -7.578429      1.442790
  H      -5.322068     -7.804170      2.897522
  H      -4.460991     -6.555793      0.248764
  H      -3.821432     -8.016573      1.034543
  H      -1.277681     -4.132358      0.043423
  H      -2.963651     -4.359442     -0.299252
  H      -1.182205     -5.993480      1.550437
  H      -2.122919     -6.613254      0.173620
  C      -1.608888     -2.849971      2.205999
  C      -0.229946     -3.099137      1.956441
  C       0.769790     -2.348057      2.546887
  C       0.459500     -1.295365      3.425929
  C      -0.863478     -1.007413      3.680646
  C      -1.916604     -1.746515      3.084584
  C      -3.281676     -1.441438      3.378458
  O      -4.224524     -2.301714      3.178521
  C      -3.755414     -0.157998      3.914676
  F      -4.964450     -0.310353      4.520357
  S      -3.117073      1.332446      3.756089
  C      -7.133547     -5.791495      3.146962
  C      -7.731583     -7.017640      3.565469
  C      -8.941575     -7.067932      4.235974
  C      -9.669030     -5.901602      4.522842
  C      -9.158023     -4.698191      4.091508
  C      -7.923546     -4.606855      3.398537
  C      -7.541594     -3.324049      2.898909
  O      -6.432833     -3.041120      2.378000
  C      -8.534078     -2.189850      2.924789
  F      -9.592188     -2.459550      2.109996
  S      -8.384372     -0.812572      3.733762
  C      -2.714009     -3.882419      5.281927
  C      -1.429466     -3.788344      5.882360
  C      -1.194325     -2.919446      6.930669
  C      -2.228507     -2.132508      7.476191
  C      -3.508769     -2.266430      6.983997
  C      -3.789836     -3.148879      5.910598
  C      -5.107792     -3.562308      5.560057
  O      -5.384825     -4.231292      4.512249
  C      -6.295409     -3.395595      6.448452
  F      -6.898749     -4.587396      6.672933
  S      -6.923781     -1.998407      6.933808
  H       0.072503     -3.926761      1.317865
  H       1.811627     -2.600670      2.341823
  H       1.252035     -0.727885      3.913280
  H      -1.122891     -0.215072      4.378105
  H      -7.215479     -7.958952      3.402703
  H      -9.322608     -8.039300      4.556848
  H     -10.611709     -5.947716      5.066713
  H      -9.706531     -3.778246      4.298978
  H      -0.596143     -4.342256      5.453367
  H      -0.179612     -2.825427      7.321638
  H      -2.020185     -1.433946      8.286122
  H      -4.326732     -1.684962      7.405595
  N      -5.117240     -3.904802      0.453911
  H      -6.132685     -3.983084      0.527136
  H      -4.821004     -4.460165     -0.350903
  H      -4.908300     -2.923384      0.243748
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.629822944183
  N      -2.594414     -3.615354      1.621768
  C      -2.221051     -4.464614      0.496859
  C      -2.108351     -5.886287      1.003077
  N      -3.258568     -6.166322      1.928445
  C      -4.250339     -7.018358      1.226525
  C      -5.498071     -7.113773      2.051907
  N      -5.906873     -5.784169      2.516378
  Mo     -4.338760     -4.271257      2.662031
  N      -2.930536     -4.668984      4.196359
  C      -2.005689     -5.773141      3.977598
  C      -2.734966     -6.817631      3.165139
  H      -1.702128     -6.214658      4.939439
  H      -1.080565     -5.438946      3.472887
  H      -3.582243     -7.197546      3.747360
  H      -2.079764     -7.660919      2.892399
  H      -6.293662     -7.575986      1.444321
  H      -5.321476     -7.796136      2.902292
  H      -4.452204     -6.553676      0.252765
  H      -3.820386     -8.016548      1.040161
  H      -1.283423     -4.142692      0.027654
  H      -2.973888     -4.385025     -0.295946
  H      -1.177313     -5.989703      1.570753
  H      -2.103500     -6.627708      0.191825
  C      -1.605063     -2.852121      2.195518
  C      -0.225445     -3.099221      1.942227
  C       0.774458     -2.350936      2.534433
  C       0.464978     -1.302165      3.419186
  C      -0.857040     -1.015354      3.677348
  C      -1.912333     -1.751082      3.079708
  C      -3.276919     -1.442572      3.370679
  O      -4.221886     -2.297236      3.156800
  C      -3.752894     -0.157737      3.904246
  F      -4.977469     -0.304697      4.479530
  S      -3.102318      1.329899      3.772395
  C      -7.134141     -5.785586      3.145535
  C      -7.733043     -7.013298      3.559199
  C      -8.946791     -7.068364      4.222761
  C      -9.680280     -5.905789      4.507462
  C      -9.167433     -4.700110      4.084235
  C      -7.927362     -4.603207      3.402338
  C      -7.554210     -3.314507      2.909669
  O      -6.455617     -3.016624      2.382079
  C      -8.560953     -2.188970      2.943084
  F      -9.565343     -2.424409      2.054338
  S      -8.471354     -0.856421      3.829971
  C      -2.708236     -3.876709      5.280965
  C      -1.424542     -3.782053      5.883821
  C      -1.191411     -2.913604      6.932686
  C      -2.227243     -2.128463      7.478330
  C      -3.506913     -2.264235      6.985482
  C      -3.785603     -3.144309      5.909303
  C      -5.102536     -3.559306      5.557709
  O      -5.380291     -4.223657      4.507717
  C      -6.287163     -3.406095      6.453590
  F      -6.876317     -4.605260      6.678848
  S      -6.927711     -2.017623      6.945888
  H       0.074599     -3.925428      1.301073
  H       1.816251     -2.602359      2.327596
  H       1.257987     -0.737439      3.908968
  H      -1.113974     -0.226604      4.379625
  H      -7.216081     -7.953901      3.396010
  H      -9.326424     -8.042118      4.538182
  H     -10.627593     -5.956178      5.042766
  H      -9.719444     -3.781411      4.289416
  H      -0.590286     -4.334978      5.455306
  H      -0.177159     -2.818751      7.324689
  H      -2.020767     -1.429787      8.288584
  H      -4.325884     -1.683571      7.406489
  N      -5.123093     -3.895104      0.465266
  H      -6.139052     -3.960819      0.543442
  H      -4.840986     -4.455344     -0.340938
  H      -4.902266     -2.916976      0.251890
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630014540078
  N      -2.583169     -3.621716      1.615942
  C      -2.210572     -4.474976      0.493817
  C      -2.103039     -5.896178      1.003708
  N      -3.254381     -6.172059      1.930093
  C      -4.250227     -7.023141      1.232723
  C      -5.498413     -7.111457      2.059498
  N      -5.910439     -5.777672      2.511981
  Mo     -4.329586     -4.276660      2.655836
  N      -2.926944     -4.670072      4.195538
  C      -2.002187     -5.775741      3.980427
  C      -2.731558     -6.820616      3.168554
  H      -1.702309     -6.216924      4.943709
  H      -1.074162     -5.444241      3.479158
  H      -3.578244     -7.200510      3.751482
  H      -2.076110     -7.664715      2.898128
  H      -6.292291     -7.580804      1.455169
  H      -5.321371     -7.786151      2.915900
  H      -4.452477     -6.561921      0.256944
  H      -3.825387     -8.023941      1.048370
  H      -1.272610     -4.155904      0.023469
  H      -2.964591     -4.402030     -0.299081
  H      -1.169918     -6.002961      1.567674
  H      -2.102416     -6.639700      0.194446
  C      -1.599925     -2.854929      2.190332
  C      -0.217926     -3.097112      1.938483
  C       0.778353     -2.346274      2.531826
  C       0.464255     -1.297942      3.416379
  C      -0.858279     -1.015077      3.672724
  C      -1.911966     -1.753033      3.074046
  C      -3.277082     -1.444111      3.357855
  O      -4.221166     -2.296082      3.130350
  C      -3.758897     -0.159855      3.890329
  F      -4.999590     -0.305260      4.430390
  S      -3.099101      1.325879      3.792728
  C      -7.138702     -5.778822      3.141812
  C      -7.737863     -7.007819      3.552105
  C      -8.954673     -7.068231      4.209933
  C      -9.693898     -5.909918      4.493803
  C      -9.179533     -4.701860      4.078170
  C      -7.936102     -4.599113      3.404140
  C      -7.573722     -3.304325      2.916916
  O      -6.487547     -2.992589      2.377543
  C      -8.584376     -2.179429      2.971234
  F      -9.530650     -2.350369      2.008873
  S      -8.542823     -0.904065      3.941432
  C      -2.704143     -3.876128      5.277858
  C      -1.420092     -3.778040      5.880267
  C      -1.187493     -2.907493      6.927144
  C      -2.224312     -2.123066      7.473221
  C      -3.503924     -2.262100      6.981792
  C      -3.781576     -3.142706      5.905519
  C      -5.098447     -3.557486      5.554931
  O      -5.380627     -4.213219      4.501913
  C      -6.278166     -3.415626      6.461743
  F      -6.853604     -4.621670      6.688662
  S      -6.925531     -2.036320      6.967839
  H       0.083542     -3.924002      1.299086
  H       1.821345     -2.594835      2.327444
  H       1.254613     -0.731069      3.907957
  H      -1.117176     -0.226878      4.375051
  H      -7.220072     -7.947894      3.389448
  H      -9.331869     -8.044496      4.520738
  H     -10.644867     -5.964921      5.022036
  H      -9.734234     -3.784289      4.282023
  H      -0.584671     -4.329295      5.451802
  H      -0.172755     -2.810073      7.317287
  H      -2.018932     -1.422596      8.282087
  H      -4.323716     -1.682375      7.402792
  N      -5.113258     -3.889065      0.484366
  H      -6.130008     -3.949689      0.558632
  H      -4.831226     -4.453105     -0.318992
  H      -4.883954     -2.913154      0.269907
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630081643296
  N      -2.577848     -3.624000      1.612791
  C      -2.201377     -4.479177      0.493760
  C      -2.096325     -5.898986      1.006624
  N      -3.252474     -6.174250      1.927978
  C      -4.248874     -7.021824      1.227735
  C      -5.500209     -7.107330      2.051431
  N      -5.911976     -5.773593      2.505050
  Mo     -4.327200     -4.280048      2.650445
  N      -2.931237     -4.673364      4.195017
  C      -2.007975     -5.782440      3.984516
  C      -2.735232     -6.825469      3.167567
  H      -1.716518     -6.225214      4.949742
  H      -1.074899     -5.453874      3.491020
  H      -3.583770     -7.206819      3.746769
  H      -2.079380     -7.669677      2.898068
  H      -6.292910     -7.575366      1.444600
  H      -5.326533     -7.783482      2.907428
  H      -4.446827     -6.561315      0.250641
  H      -3.827558     -8.024377      1.044573
  H      -1.262124     -4.160540      0.025608
  H      -2.954458     -4.410955     -0.300418
  H      -1.168820     -6.010129      1.579159
  H      -2.090552     -6.646068      0.200551
  C      -1.598504     -2.856799      2.190539
  C      -0.215042     -3.097642      1.942641
  C       0.778800     -2.343505      2.535054
  C       0.461247     -1.291910      3.414921
  C      -0.862039     -1.010450      3.667604
  C      -1.914018     -1.751525      3.069618
  C      -3.279781     -1.443356      3.348591
  O      -4.222432     -2.295330      3.117302
  C      -3.764534     -0.158832      3.879843
  F      -5.006055     -0.306422      4.416551
  S      -3.107018      1.327611      3.785580
  C      -7.141289     -5.775906      3.135524
  C      -7.738787     -7.006587      3.542436
  C      -8.952687     -7.071820      4.205653
  C      -9.690101     -5.915871      4.500806
  C      -9.177693     -4.705327      4.088682
  C      -7.939598     -4.597806      3.406563
  C      -7.583851     -3.300307      2.919198
  O      -6.503856     -2.989562      2.366465
  C      -8.579902     -2.164626      2.991211
  F      -9.534035     -2.309366      2.033267
  S      -8.514413     -0.894186      3.969347
  C      -2.707732     -3.877992      5.275812
  C      -1.424126     -3.778673      5.879637
  C      -1.191825     -2.904956      6.923666
  C      -2.228514     -2.117518      7.466849
  C      -3.507643     -2.257648      6.974953
  C      -3.784473     -3.141796      5.901308
  C      -5.101403     -3.556839      5.552903
  O      -5.388186     -4.205845      4.498152
  C      -6.276505     -3.421563      6.468881
  F      -6.836615     -4.632883      6.705672
  S      -6.931472     -2.047519      6.977292
  H       0.087278     -3.927150      1.306947
  H       1.822716     -2.591333      2.334462
  H       1.249457     -0.721600      3.905939
  H      -1.122856     -0.219790      4.366477
  H      -7.222254     -7.946272      3.373947
  H      -9.327096     -8.050410      4.512568
  H     -10.637946     -5.973438      5.034344
  H      -9.731399     -3.789352      4.300344
  H      -0.588270     -4.331658      5.454212
  H      -0.177242     -2.807048      7.314072
  H      -2.023393     -1.414476      8.273517
  H      -4.327721     -1.677071      7.394349
  N      -5.104897     -3.891434      0.488952
  H      -6.121556     -3.954423      0.561929
  H      -4.819847     -4.459173     -0.309889
  H      -4.874585     -2.916338      0.272098
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630140707570
  N      -2.570292     -3.629869      1.615751
  C      -2.193865     -4.483856      0.496638
  C      -2.095448     -5.905417      1.007355
  N      -3.251582     -6.178641      1.929620
  C      -4.250773     -7.022966      1.228825
  C      -5.502101     -7.106236      2.052991
  N      -5.915083     -5.771803      2.503057
  Mo     -4.322341     -4.285533      2.650305
  N      -2.930334     -4.681340      4.198148
  C      -2.007586     -5.790400      3.987529
  C      -2.735001     -6.832103      3.168867
  H      -1.716859     -6.234032      4.952577
  H      -1.074239     -5.462360      3.494305
  H      -3.584551     -7.213119      3.746846
  H      -2.080515     -7.676741      2.897895
  H      -6.294220     -7.576682      1.447091
  H      -5.327603     -7.780957      2.910106
  H      -4.448172     -6.560481      0.252517
  H      -3.832048     -8.026419      1.044661
  H      -1.254107     -4.167486      0.027743
  H      -2.946445     -4.413521     -0.298131
  H      -1.164548     -6.021087      1.573480
  H      -2.094701     -6.650438      0.199292
  C      -1.594554     -2.858307      2.191849
  C      -0.210302     -3.093044      1.943200
  C       0.780602     -2.335892      2.536073
  C       0.459684     -1.286121      3.417512
  C      -0.864421     -1.008996      3.669893
  C      -1.914047     -1.752755      3.070628
  C      -3.280575     -1.446637      3.345312
  O      -4.221680     -2.297920      3.109869
  C      -3.768936     -0.163123      3.877956
  F      -5.013606     -0.314411      4.406475
  S      -3.114195      1.324490      3.790873
  C      -7.143865     -5.773803      3.134888
  C      -7.739705     -7.004764      3.543406
  C      -8.954593     -7.072302      4.205002
  C      -9.695444     -5.917946      4.497168
  C      -9.183856     -4.707028      4.084772
  C      -7.944507     -4.597139      3.406044
  C      -7.595597     -3.296967      2.920843
  O      -6.521647     -2.978033      2.364442
  C      -8.598403     -2.165941      2.996143
  F      -9.518750     -2.284088      2.003118
  S      -8.567704     -0.925316      4.013004
  C      -2.705166     -3.882538      5.275603
  C      -1.421377     -3.784026      5.879557
  C      -1.186492     -2.905045      6.918281
  C      -2.220683     -2.110171      7.455554
  C      -3.500219     -2.249471      6.964388
  C      -3.780299     -3.140533      5.897187
  C      -5.098978     -3.554725      5.551714
  O      -5.389057     -4.201598      4.496595
  C      -6.270449     -3.420024      6.472295
  F      -6.837656     -4.629894      6.698795
  S      -6.916825     -2.047135      6.995282
  H       0.094586     -3.921158      1.306695
  H       1.825454     -2.579863      2.335582
  H       1.246163     -0.714178      3.909338
  H      -1.128258     -0.220262      4.369799
  H      -7.221098     -7.943688      3.377032
  H      -9.326950     -8.051459      4.512582
  H     -10.644608     -5.976310      5.028238
  H      -9.739997     -3.791595      4.294000
  H      -0.587435     -4.342697      5.457726
  H      -0.171871     -2.808164      7.308873
  H      -2.012841     -1.402020      8.257053
  H      -4.318224     -1.663734      7.380263
  N      -5.098236     -3.880748      0.496155
  H      -6.115652     -3.937211      0.564809
  H      -4.812317     -4.449574     -0.303041
  H      -4.861768     -2.906667      0.281149
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630205526827
  N      -2.565973     -3.633596      1.619894
  C      -2.188687     -4.486227      0.500519
  C      -2.094016     -5.909014      1.009293
  N      -3.251417     -6.181036      1.930079
  C      -4.252280     -7.020402      1.225041
  C      -5.504489     -7.103749      2.047617
  N      -5.916874     -5.770809      2.500828
  Mo     -4.320102     -4.289117      2.651539
  N      -2.932513     -4.690073      4.202164
  C      -2.011202     -5.799852      3.991520
  C      -2.737710     -6.839033      3.168603
  H      -1.722492     -6.245248      4.956344
  H      -1.077045     -5.472077      3.499579
  H      -3.589530     -7.219981      3.743340
  H      -2.084424     -7.683743      2.895707
  H      -6.296584     -7.572175      1.439891
  H      -5.330665     -7.781820      2.902301
  H      -4.446840     -6.553678      0.250286
  H      -3.835703     -8.024362      1.038737
  H      -1.248602     -4.171321      0.031336
  H      -2.940764     -4.413331     -0.294539
  H      -1.163294     -6.028926      1.574835
  H      -2.094139     -6.652484      0.199634
  C      -1.592074     -2.858672      2.194519
  C      -0.207497     -3.089637      1.946815
  C       0.781042     -2.330086      2.540596
  C       0.457444     -1.280687      3.421716
  C      -0.867538     -1.005923      3.672404
  C      -1.914644     -1.752926      3.072639
  C      -3.281927     -1.448358      3.344153
  O      -4.221925     -2.299994      3.110933
  C      -3.770837     -0.162774      3.873785
  F      -5.010993     -0.315628      4.412222
  S      -3.121054      1.325610      3.772417
  C      -7.144457     -5.773627      3.135189
  C      -7.737379     -7.005406      3.544966
  C      -8.950590     -7.075380      4.209781
  C      -9.692053     -5.921896      4.503633
  C      -9.183544     -4.710437      4.088771
  C      -7.946316     -4.598169      3.406784
  C      -7.603288     -3.296786      2.920237
  O      -6.532193     -2.974645      2.360798
  C      -8.609415     -2.169174      2.994032
  F      -9.523466     -2.285378      1.995272
  S      -8.583968     -0.929326      4.012418
  C      -2.705151     -3.887893      5.276541
  C      -1.421373     -3.792373      5.881249
  C      -1.183398     -2.909083      6.915477
  C      -2.214583     -2.106706      7.447124
  C      -3.494631     -2.243839      6.956517
  C      -3.778361     -3.139966      5.894502
  C      -5.099009     -3.551855      5.550542
  O      -5.391949     -4.199002      4.496434
  C      -6.268629     -3.414599      6.472479
  F      -6.840949     -4.622301      6.695831
  S      -6.909046     -2.040028      6.999102
  H       0.100167     -3.916948      1.310495
  H       1.826654     -2.571555      2.341052
  H       1.242629     -0.707208      3.913758
  H      -1.134514     -0.217355      4.371332
  H      -7.217423     -7.943274      3.376730
  H      -9.320832     -8.055123      4.517926
  H     -10.639835     -5.980394      5.037181
  H      -9.741479     -3.796119      4.298490
  H      -0.590188     -4.358029      5.463355
  H      -0.168998     -2.814687      7.307272
  H      -2.003351     -1.394558      8.244245
  H      -4.310136     -1.652065      7.368545
  N      -5.094797     -3.868999      0.497190
  H      -6.112698     -3.921088      0.564872
  H      -4.809497     -4.439822     -0.301031
  H      -4.855378     -2.895799      0.281604
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630274141939
  N      -2.558068     -3.639239      1.623861
  C      -2.179464     -4.491606      0.505077
  C      -2.089047     -5.914466      1.012902
  N      -3.250261     -6.184033      1.929298
  C      -4.253541     -7.015372      1.217001
  C      -5.507738     -7.098582      2.036180
  N      -5.918161     -5.767819      2.495776
  Mo     -4.314955     -4.293424      2.650836
  N      -2.936983     -4.701621      4.207298
  C      -2.018688     -5.813685      3.997682
  C      -2.743670     -6.848477      3.167717
  H      -1.734489     -6.262277      4.962395
  H      -1.082185     -5.487168      3.508930
  H      -3.599840     -7.228651      3.736531
  H      -2.091810     -7.693767      2.893898
  H      -6.299898     -7.562292      1.424643
  H      -5.336190     -7.782871      2.886392
  H      -4.442796     -6.542068      0.244423
  H      -3.840844     -8.020298      1.027176
  H      -1.238353     -4.178771      0.036703
  H      -2.930775     -4.416021     -0.290579
  H      -1.161485     -6.039749      1.582606
  H      -2.087455     -6.656810      0.202063
  C      -1.587599     -2.859150      2.196144
  C      -0.202175     -3.084805      1.950198
  C       0.782383     -2.321752      2.546000
  C       0.454235     -1.272914      3.426396
  C      -0.871980     -1.001209      3.673583
  C      -1.915267     -1.752759      3.072380
  C      -3.283814     -1.449626      3.338324
  O      -4.222979     -2.300913      3.107814
  C      -3.772680     -0.159276      3.860921
  F      -5.002700     -0.313212      4.421134
  S      -3.131970      1.329742      3.728449
  C      -7.143647     -5.772195      3.135485
  C      -7.731968     -7.005753      3.546398
  C      -8.940623     -7.080066      4.219340
  C      -9.681681     -5.928288      4.520008
  C      -9.179014     -4.715512      4.101633
  C      -7.946937     -4.598671      3.410921
  C      -7.615418     -3.295150      2.920085
  O      -6.551786     -2.968755      2.350047
  C      -8.627441     -2.173407      2.995638
  F      -9.542150     -2.293052      1.997980
  S      -8.602783     -0.930194      4.010516
  C      -2.706508     -3.895467      5.277922
  C      -1.423498     -3.805666      5.885529
  C      -1.182632     -2.919364      6.916501
  C      -2.210308     -2.108713      7.442147
  C      -3.490275     -2.240999      6.949968
  C      -3.777188     -3.139587      5.890951
  C      -5.100101     -3.545244      5.545684
  O      -5.397511     -4.190679      4.492429
  C      -6.268942     -3.402552      6.467782
  F      -6.839414     -4.608605      6.701527
  S      -6.909103     -2.023332      6.982100
  H       0.110094     -3.911331      1.315080
  H       1.829187     -2.559969      2.348805
  H       1.237293     -0.697527      3.919545
  H      -1.143671     -0.212530      4.370559
  H      -7.211491     -7.942086      3.371764
  H      -9.307169     -8.061197      4.527367
  H     -10.625645     -5.987822      5.060225
  H      -9.738932     -3.803255      4.314689
  H      -0.595718     -4.379956      5.472838
  H      -0.169057     -2.829617      7.311525
  H      -1.995630     -1.394467      8.236528
  H      -4.303090     -1.642278      7.357326
  N      -5.088512     -3.850975      0.499068
  H      -6.106865     -3.896592      0.567046
  H      -4.805175     -4.426478     -0.296528
  H      -4.844221     -2.879746      0.280865
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630315099643
  N      -2.552838     -3.642435      1.626847
  C      -2.173510     -4.494642      0.507927
  C      -2.086402     -5.917705      1.013992
  N      -3.250202     -6.185992      1.927194
  C      -4.254995     -7.012421      1.210790
  C      -5.510246     -7.095129      2.028308
  N      -5.918169     -5.765068      2.492293
  Mo     -4.311341     -4.295184      2.649989
  N      -2.939758     -4.708267      4.209452
  C      -2.023514     -5.822002      3.999623
  C      -2.748435     -6.853863      3.165740
  H      -1.741705     -6.273085      4.963915
  H      -1.085471     -5.496585      3.512813
  H      -3.607004     -7.233392      3.731310
  H      -2.097244     -7.699788      2.892226
  H      -6.303124     -7.555070      1.414807
  H      -5.340406     -7.783283      2.875695
  H      -4.441428     -6.535099      0.239553
  H      -3.844914     -8.017892      1.018214
  H      -1.230644     -4.183182      0.042256
  H      -2.923147     -4.416494     -0.289147
  H      -1.160726     -6.046742      1.586085
  H      -2.084374     -6.658491      0.201704
  C      -1.584858     -2.859524      2.198356
  C      -0.198446     -3.082575      1.954823
  C       0.783078     -2.317050      2.552369
  C       0.451314     -1.267758      3.431050
  C      -0.875706     -0.997594      3.674647
  C      -1.916174     -1.752343      3.072220
  C      -3.285427     -1.449554      3.333922
  O      -4.224644     -2.300472      3.105913
  C      -3.773633     -0.155234      3.849966
  F      -4.996278     -0.307605      4.425567
  S      -3.137868      1.332725      3.691763
  C      -7.142358     -5.770770      3.135909
  C      -7.726905     -7.005395      3.549010
  C      -8.931894     -7.082249      4.228183
  C      -9.672933     -5.931784      4.533111
  C      -9.175154     -4.718223      4.111073
  C      -7.947251     -4.598738      3.413130
  C      -7.623611     -3.294396      2.917103
  O      -6.564231     -2.965159      2.341569
  C      -8.640607     -2.177122      2.994278
  F      -9.566576     -2.310387      2.008673
  S      -8.609884     -0.923098      3.995905
  C      -2.706939     -3.901296      5.278844
  C      -1.423904     -3.813810      5.886854
  C      -1.181814     -2.927662      6.917768
  C      -2.208232     -2.115161      7.443055
  C      -3.488140     -2.244715      6.950073
  C      -3.776104     -3.141996      5.890337
  C      -5.100078     -3.541716      5.542445
  O      -5.400513     -4.184808      4.488859
  C      -6.270107     -3.391599      6.462344
  F      -6.838599     -4.595750      6.709205
  S      -6.911560     -2.007035      6.959844
  H       0.117246     -3.909236      1.321629
  H       1.830745     -2.553667      2.357809
  H       1.232616     -0.690801      3.925144
  H      -1.150586     -0.208096      4.369548
  H      -7.206090     -7.940778      3.370666
  H      -9.295204     -8.064154      4.537570
  H     -10.613648     -5.992440      5.078877
  H      -9.736249     -3.807315      4.326333
  H      -0.597388     -4.390396      5.474917
  H      -0.168382     -2.839835      7.313588
  H      -1.992375     -1.401741      8.237859
  H      -4.300080     -1.644195      7.356720
  N      -5.083383     -3.839216      0.500586
  H      -6.101881     -3.881655      0.569581
  H      -4.801871     -4.417630     -0.293374
  H      -4.836604     -2.869203      0.280231
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630357610716
  N      -2.545225     -3.645928      1.630418
  C      -2.165160     -4.498191      0.511225
  C      -2.082834     -5.922039      1.014848
  N      -3.250212     -6.188581      1.923387
  C      -4.256789     -7.008552      1.202206
  C      -5.513377     -7.089947      2.017992
  N      -5.917017     -5.760187      2.487976
  Mo     -4.305507     -4.295849      2.648352
  N      -2.941952     -4.714827      4.210605
  C      -2.028540     -5.831015      4.000032
  C      -2.754805     -6.859525      3.162662
  H      -1.749106     -6.284987      4.963731
  H      -1.088664     -5.507638      3.515243
  H      -3.616104     -7.237294      3.725133
  H      -2.104732     -7.707046      2.890961
  H      -6.307791     -7.544320      1.402398
  H      -5.345957     -7.782849      2.861861
  H      -4.440024     -6.526201      0.232682
  H      -3.850180     -8.014663      1.005682
  H      -1.219374     -4.188670      0.050190
  H      -2.912088     -4.416185     -0.288481
  H      -1.159777     -6.055734      1.590226
  H      -2.080740     -6.660429      0.200370
  C      -1.580465     -2.860131      2.201550
  C      -0.192621     -3.080970      1.962113
  C       0.785001     -2.312510      2.562081
  C       0.448525     -1.262088      3.437934
  C      -0.879454     -0.993116      3.675933
  C      -1.916446     -1.751268      3.071162
  C      -3.286446     -1.447909      3.326451
  O      -4.226585     -2.297949      3.102121
  C      -3.774074     -0.147795      3.831721
  F      -4.986430     -0.296703      4.427790
  S      -3.144384      1.337637      3.637729
  C      -7.139955     -5.767695      3.136477
  C      -7.719136     -7.003652      3.553394
  C      -8.919590     -7.083823      4.240012
  C      -9.661841     -5.935536      4.549112
  C      -9.171073     -4.720996      4.121665
  C      -7.948191     -4.598091      3.415458
  C      -7.635538     -3.292609      2.912774
  O      -6.581924     -2.958353      2.331119
  C      -8.661830     -2.183457      2.994102
  F      -9.621288     -2.354702      2.046780
  S      -8.622898     -0.910902      3.972111
  C      -2.706303     -3.908607      5.279826
  C      -1.423416     -3.824782      5.888516
  C      -1.180198     -2.941236      6.921505
  C      -2.205440     -2.128463      7.448867
  C      -3.485072     -2.253548      6.954160
  C      -3.773572     -3.145836      5.890427
  C      -5.098712     -3.535126      5.537055
  O      -5.402442     -4.174991      4.482715
  C      -6.271702     -3.372413      6.451974
  F      -6.838772     -4.573139      6.717513
  S      -6.920106     -1.979509      6.914801
  H       0.127221     -3.908302      1.331913
  H       1.833727     -2.547864      2.371670
  H       1.227473     -0.683409      3.933732
  H      -1.158000     -0.202681      4.368397
  H      -7.197489     -7.937810      3.371584
  H      -9.278155     -8.066699      4.551903
  H     -10.598531     -5.998523      5.101524
  H      -9.734214     -3.811776      4.338830
  H      -0.597976     -4.402732      5.476306
  H      -0.166837     -2.856418      7.318157
  H      -1.989012     -1.418487      8.246544
  H      -4.296413     -1.652998      7.362210
  N      -5.075313     -3.825305      0.502785
  H      -6.093801     -3.864205      0.575009
  H      -4.797414     -4.407096     -0.289337
  H      -4.825705     -2.856794      0.279568
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630294989489
  N      -2.532927     -3.651975      1.635089
  C      -2.152332     -4.503782      0.514989
  C      -2.078471     -5.929546      1.014058
  N      -3.250474     -6.193804      1.916745
  C      -4.260156     -7.004894      1.190610
  C      -5.518031     -7.083326      2.005344
  N      -5.916211     -5.752674      2.481092
  Mo     -4.295674     -4.297863      2.644766
  N      -2.943750     -4.724153      4.210565
  C      -2.033899     -5.843431      3.998294
  C      -2.763209     -6.867527      3.157448
  H      -1.757034     -6.301469      4.960938
  H      -1.091593     -5.523170      3.516141
  H      -3.627611     -7.242409      3.716868
  H      -2.114873     -7.717859      2.889310
  H      -6.314712     -7.531705      1.388502
  H      -5.352919     -7.780623      2.845855
  H      -4.440449     -6.516035      0.223433
  H      -3.858888     -8.011939      0.988054
  H      -1.202017     -4.197163      0.061154
  H      -2.895137     -4.415930     -0.288949
  H      -1.157347     -6.069987      1.591046
  H      -2.078605     -6.663381      0.195553
  C      -1.574489     -2.861547      2.206170
  C      -0.184036     -3.077438      1.972450
  C       0.786865     -2.303851      2.575981
  C       0.442241     -1.252482      3.448322
  C      -0.887219     -0.986814      3.678150
  C      -1.918654     -1.750176      3.069192
  C      -3.289697     -1.446152      3.313393
  O      -4.231356     -2.294054      3.090774
  C      -3.778410     -0.138656      3.803535
  F      -4.981057     -0.282286      4.417266
  S      -3.156593      1.342263      3.565125
  C      -7.137462     -5.763230      3.136895
  C      -7.707310     -7.001323      3.561098
  C      -8.901241     -7.087568      4.257931
  C      -9.647756     -5.943929      4.571877
  C      -9.168415     -4.727624      4.136417
  C      -7.952794     -4.598404      3.418986
  C      -7.659125     -3.289651      2.908544
  O      -6.617093     -2.943172      2.317404
  C      -8.703256     -2.195640      3.002902
  F      -9.673179     -2.388921      2.070306
  S      -8.636165     -0.881192      3.922121
  C      -2.704758     -3.920299      5.280549
  C      -1.422272     -3.840542      5.890369
  C      -1.178641     -2.961806      6.927467
  C      -2.203149     -2.150473      7.459108
  C      -3.481950     -2.269522      6.961058
  C      -3.769699     -3.153335      5.890123
  C      -5.096040     -3.526206      5.528110
  O      -5.404355     -4.159012      4.471366
  C      -6.273006     -3.344000      6.436184
  F      -6.827793     -4.539602      6.747371
  S      -6.917223     -1.939789      6.867367
  H       0.142162     -3.905437      1.346368
  H       1.837373     -2.536264      2.391732
  H       1.216955     -0.670786      3.947216
  H      -1.171430     -0.196063      4.368113
  H      -7.183130     -7.933350      3.376504
  H      -9.250837     -8.072178      4.574685
  H     -10.578706     -6.012134      5.133300
  H      -9.735338     -3.821285      4.356264
  H      -0.597209     -4.418343      5.477033
  H      -0.165310     -2.880581      7.324939
  H      -1.987386     -1.446527      8.262164
  H      -4.293457     -1.671296      7.372600
  N      -5.062469     -3.806091      0.511253
  H      -6.080856     -3.839097      0.588537
  H      -4.790292     -4.391779     -0.279618
  H      -4.807434     -2.839726      0.285538
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630399686941
  N      -2.538563     -3.649027      1.631490
  C      -2.158633     -4.500495      0.511604
  C      -2.081098     -5.926034      1.012896
  N      -3.250106     -6.191496      1.919453
  C      -4.258054     -7.007848      1.197156
  C      -5.515006     -7.087171      2.013090
  N      -5.916782     -5.756322      2.483613
  Mo     -4.300365     -4.296502      2.645488
  N      -2.941511     -4.717514      4.208985
  C      -2.029515     -5.835114      3.997936
  C      -2.757575     -6.862314      3.159924
  H      -1.751215     -6.290384      4.961396
  H      -1.088520     -5.513339      3.514484
  H      -3.619883     -7.238286      3.721971
  H      -2.108544     -7.711570      2.890616
  H      -6.310439     -7.540185      1.397975
  H      -5.347913     -7.780293      2.856735
  H      -4.440712     -6.523397      0.228426
  H      -3.853874     -8.014475      0.998294
  H      -1.210825     -4.192374      0.053640
  H      -2.903679     -4.415310     -0.290072
  H      -1.158157     -6.062428      1.587708
  H      -2.081181     -6.662080      0.196359
  C      -1.576735     -2.861807      2.203472
  C      -0.187669     -3.080870      1.967386
  C       0.786989     -2.310129      2.568775
  C       0.446760     -1.258624      3.442369
  C      -0.881942     -0.990922      3.676254
  C      -1.916538     -1.751574      3.069912
  C      -3.286845     -1.447004      3.318884
  O      -4.228209     -2.295392      3.093506
  C      -3.775298     -0.143625      3.817021
  F      -4.986527     -0.289162      4.414545
  S      -3.144477      1.339369      3.611991
  C      -7.138979     -5.764997      3.135170
  C      -7.713313     -7.001649      3.557129
  C      -8.910758     -7.084477      4.248543
  C      -9.655550     -5.938524      4.559143
  C      -9.170166     -4.723384      4.127080
  C      -7.951093     -4.597798      3.415019
  C      -7.646780     -3.289911      2.910557
  O      -6.598790     -2.948369      2.325790
  C      -8.682007     -2.187773      3.001118
  F      -9.647080     -2.366802      2.060746
  S      -8.636861     -0.904683      3.964904
  C      -2.705847     -3.913128      5.279540
  C      -1.423918     -3.831288      5.890334
  C      -1.181642     -2.950384      6.925805
  C      -2.207038     -2.138375      7.454392
  C      -3.485697     -2.260460      6.956529
  C      -3.772722     -3.148692      5.888913
  C      -5.098251     -3.530276      5.530870
  O      -5.402472     -4.167225      4.475130
  C      -6.273446     -3.359635      6.442350
  F      -6.833990     -4.558973      6.728181
  S      -6.919381     -1.962441      6.894512
  H       0.134451     -3.908863      1.339163
  H       1.836534     -2.544347      2.381448
  H       1.223631     -0.678205      3.939368
  H      -1.162786     -0.199949      4.367289
  H      -7.189886     -7.934908      3.376082
  H      -9.264506     -8.067997      4.563998
  H     -10.589498     -6.004268      5.115834
  H      -9.734788     -3.815391      4.345757
  H      -0.597967     -4.408871      5.478512
  H      -0.168627     -2.867513      7.323762
  H      -1.992093     -1.431441      8.255129
  H      -4.297556     -1.661457      7.365953
  N      -5.068961     -3.818854      0.507547
  H      -6.087453     -3.854792      0.583187
  H      -4.794425     -4.401183     -0.285339
  H      -4.816418     -2.851037      0.284715
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630385683085
  N      -2.540209     -3.647516      1.630010
  C      -2.161142     -4.498254      0.509580
  C      -2.082375     -5.924075      1.010951
  N      -3.249940     -6.190362      1.919220
  C      -4.257755     -7.008327      1.199005
  C      -5.513850     -7.087904      2.016325
  N      -5.916704     -5.756775      2.485180
  Mo     -4.301056     -4.295422      2.645831
  N      -2.939447     -4.714355      4.207629
  C      -2.026717     -5.831344      3.996148
  C      -2.754941     -6.859621      3.159560
  H      -1.747397     -6.285963      4.959606
  H      -1.086313     -5.508914      3.512064
  H      -3.616058     -7.235904      3.723251
  H      -2.105705     -7.708671      2.890106
  H      -6.309375     -7.542673      1.402660
  H      -5.345173     -7.779224      2.861117
  H      -4.442094     -6.525337      0.229899
  H      -3.852910     -8.014819      1.000735
  H      -1.214072     -4.189470      0.050481
  H      -2.907111     -4.413281     -0.291194
  H      -1.158705     -6.058942      1.584874
  H      -2.082853     -6.660420      0.194726
  C      -1.577339     -2.861983      2.202758
  C      -0.188721     -3.082609      1.966027
  C       0.787333     -2.314068      2.567913
  C       0.448699     -1.263557      3.443289
  C      -0.879657     -0.994650      3.678256
  C      -1.915656     -1.752548      3.070901
  C      -3.285675     -1.446859      3.320600
  O      -4.227660     -2.294599      3.093515
  C      -3.774007     -0.144808      3.821622
  F      -4.990313     -0.290518      4.408655
  S      -3.142887      1.339261      3.623166
  C      -7.138762     -5.765256      3.136539
  C      -7.713625     -7.001724      3.558305
  C      -8.911789     -7.084237      4.248533
  C      -9.656842     -5.938177      4.558204
  C      -9.170655     -4.723180      4.126572
  C      -7.950874     -4.597867      3.415748
  C      -7.644704     -3.289632      2.912959
  O      -6.595987     -2.948334      2.329425
  C      -8.679736     -2.187008      3.002538
  F      -9.639240     -2.360872      2.055460
  S      -8.635902     -0.904873      3.967621
  C      -2.704859     -3.910776      5.279042
  C      -1.423125     -3.828443      5.890119
  C      -1.181455     -2.947907      6.926038
  C      -2.207282     -2.136643      7.454864
  C      -3.485820     -2.259368      6.956804
  C      -3.772292     -3.147566      5.888897
  C      -5.097597     -3.530733      5.531524
  O      -5.400514     -4.168411      4.475736
  C      -6.272455     -3.363003      6.443727
  F      -6.842662     -4.562584      6.709126
  S      -6.930647     -1.967497      6.883008
  H       0.131466     -3.910399      1.336516
  H       1.836507     -2.549428      2.379956
  H       1.226336     -0.684823      3.941045
  H      -1.158883     -0.204604      4.370921
  H      -7.190226     -7.935215      3.378284
  H      -9.265977     -8.067660      4.563815
  H     -10.591422     -6.004059      5.113793
  H      -9.735189     -3.815117      4.344996
  H      -0.596598     -4.405138      5.478186
  H      -0.168443     -2.864748      7.323956
  H      -1.993035     -1.429830      8.255905
  H      -4.297954     -1.660978      7.366484
  N      -5.071931     -3.823086      0.509160
  H      -6.090234     -3.860057      0.586781
  H      -4.798293     -4.403630     -0.285442
  H      -4.820282     -2.854650      0.287829
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630416266549
  N      -2.539543     -3.647783      1.629572
  C      -2.160603     -4.498054      0.508915
  C      -2.082423     -5.924334      1.009963
  N      -3.249788     -6.190618      1.918418
  C      -4.257757     -7.008442      1.198580
  C      -5.513731     -7.087729      2.016197
  N      -5.916800     -5.756404      2.484445
  Mo     -4.300497     -4.295266      2.645213
  N      -2.938907     -4.713804      4.206818
  C      -2.026160     -5.830810      3.995308
  C      -2.754502     -6.859300      3.158970
  H      -1.746822     -6.285358      4.958794
  H      -1.085743     -5.508360      3.511312
  H      -3.615480     -7.235361      3.723030
  H      -2.105373     -7.708550      2.889881
  H      -6.309384     -7.542954      1.403056
  H      -5.344560     -7.778458      2.861358
  H      -4.442326     -6.525582      0.229458
  H      -3.853144     -8.015029      1.000259
  H      -1.213371     -4.189434      0.049988
  H      -2.906443     -4.412400     -0.291969
  H      -1.158643     -6.059172      1.583685
  H      -2.083267     -6.660438      0.193533
  C      -1.576812     -2.862519      2.202768
  C      -0.188180     -3.083386      1.966618
  C       0.787792     -2.315324      2.569184
  C       0.448965     -1.265037      3.444820
  C      -0.879452     -0.995841      3.679189
  C      -1.915398     -1.753140      3.070944
  C      -3.285394     -1.446734      3.319474
  O      -4.227852     -2.293855      3.091759
  C      -3.773557     -0.144465      3.820345
  F      -4.988974     -0.290007      4.408938
  S      -3.139975      1.339108      3.625750
  C      -7.138805     -5.764933      3.135999
  C      -7.713124     -7.001425      3.558397
  C      -8.911521     -7.084313      4.248217
  C      -9.657452     -5.938582      4.556895
  C      -9.171766     -4.723608      4.124569
  C      -7.951849     -4.597903      3.414184
  C      -7.646424     -3.289207      2.911595
  O      -6.598090     -2.946723      2.328501
  C      -8.683339     -2.188041      3.000631
  F      -9.645985     -2.367104      2.057697
  S      -8.644148     -0.906941      3.967381
  C      -2.704738     -3.910475      5.278485
  C      -1.423391     -3.828446      5.890360
  C      -1.182097     -2.947942      6.926402
  C      -2.207984     -2.136397      7.454681
  C      -3.486253     -2.258858      6.955823
  C      -3.772242     -3.146940      5.887655
  C      -5.097629     -3.529281      5.529800
  O      -5.400219     -4.167055      4.473963
  C      -6.272825     -3.359478      6.441103
  F      -6.836889     -4.559099      6.719645
  S      -6.920959     -1.962896      6.891663
  H       0.131747     -3.911180      1.336940
  H       1.837008     -2.550903      2.381744
  H       1.226452     -0.686675      3.943231
  H      -1.158659     -0.206039      4.372130
  H      -7.189262     -7.934821      3.379206
  H      -9.265232     -8.067783      4.563898
  H     -10.592210     -6.004860      5.112126
  H      -9.736981     -3.815789      4.342360
  H      -0.596686     -4.405364      5.479068
  H      -0.169256     -2.865138      7.324836
  H      -1.994175     -1.429657      8.255900
  H      -4.298538     -1.660476      7.365257
  N      -5.071801     -3.823676      0.509844
  H      -6.090000     -3.860370      0.589152
  H      -4.799354     -4.403667     -0.285559
  H      -4.819988     -2.855134      0.289093
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630421553523
  N      -2.537421     -3.648952      1.629735
  C      -2.158356     -4.498692      0.508831
  C      -2.081690     -5.925449      1.009178
  N      -3.249453     -6.191437      1.917126
  C      -4.257966     -7.008079      1.196803
  C      -5.514065     -7.086923      2.014323
  N      -5.917130     -5.755521      2.482414
  Mo     -4.299021     -4.295825      2.644226
  N      -2.939160     -4.715232      4.206675
  C      -2.026795     -5.832532      3.995128
  C      -2.754995     -6.860434      3.157858
  H      -1.748247     -6.287773      4.958524
  H      -1.085920     -5.510154      3.511961
  H      -3.616430     -7.236280      3.721377
  H      -2.106087     -7.709942      2.889051
  H      -6.309828     -7.542195      1.401358
  H      -5.344680     -7.777626      2.859482
  H      -4.442074     -6.524541      0.227916
  H      -3.854229     -8.014927      0.997954
  H      -1.210552     -4.190664      0.050651
  H      -2.903672     -4.411761     -0.292490
  H      -1.158176     -6.060992      1.583183
  H      -2.082683     -6.661057      0.192315
  C      -1.575519     -2.863064      2.203130
  C      -0.186629     -3.082785      1.967448
  C       0.788439     -2.313697      2.570092
  C       0.448418     -1.263070      3.444963
  C      -0.880265     -0.994594      3.678434
  C      -1.915349     -1.753325      3.070457
  C      -3.285431     -1.446780      3.317281
  O      -4.228257     -2.293143      3.088898
  C      -3.773219     -0.143478      3.816530
  F      -4.987487     -0.287855      4.407412
  S      -3.136674      1.338874      3.623044
  C      -7.138392     -5.764370      3.135650
  C      -7.710885     -7.000974      3.560118
  C      -8.907955     -7.084589      4.252232
  C      -9.654264     -5.939332      4.561558
  C      -9.170321     -4.724292      4.127361
  C      -7.952026     -4.597845      3.414444
  C      -7.649557     -3.288546      2.910815
  O      -6.602963     -2.943998      2.326410
  C      -8.688172     -2.189042      3.002924
  F      -9.651974     -2.368327      2.061237
  S      -8.648503     -0.907653      3.969402
  C      -2.705522     -3.912416      5.278802
  C      -1.424935     -3.832056      5.892508
  C      -1.183968     -2.952030      6.929018
  C      -2.209510     -2.139223      7.456023
  C      -3.487228     -2.260002      6.955336
  C      -3.772898     -3.147518      5.886563
  C      -5.098552     -3.527392      5.526865
  O      -5.400868     -4.164674      4.470683
  C      -6.274883     -3.354712      6.436186
  F      -6.838365     -4.553550      6.719256
  S      -6.922250     -1.956525      6.882601
  H       0.133897     -3.910564      1.338039
  H       1.837943     -2.548434      2.383205
  H       1.225249     -0.683775      3.943305
  H      -1.160333     -0.204335      4.370576
  H      -7.186580     -7.934098      3.380829
  H      -9.260125     -8.068182      4.569248
  H     -10.587863     -6.006003      5.118685
  H      -9.736064     -3.816897      4.345704
  H      -0.598369     -4.410022      5.482416
  H      -0.171564     -2.870663      7.328861
  H      -1.995951     -1.432902      8.257667
  H      -4.299282     -1.660712      7.363871
  N      -5.070131     -3.822385      0.510728
  H      -6.088216     -3.857877      0.592022
  H      -4.799397     -4.402218     -0.285410
  H      -4.817391     -2.853979      0.290436
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630423797367
  N      -2.533334     -3.650559      1.630225
  C      -2.154516     -4.498519      0.508231
  C      -2.080742     -5.926509      1.006680
  N      -3.248652     -6.192221      1.914227
  C      -4.258653     -7.006325      1.193279
  C      -5.514620     -7.084589      2.011151
  N      -5.918011     -5.753313      2.479054
  Mo     -4.295831     -4.296444      2.642997
  N      -2.938668     -4.717677      4.206454
  C      -2.027035     -5.835380      3.994104
  C      -2.754962     -6.862052      3.154879
  H      -1.749636     -6.292315      4.957040
  H      -1.085543     -5.512664      3.512306
  H      -3.616984     -7.237782      3.717629
  H      -2.106528     -7.711854      2.885962
  H      -6.310750     -7.540300      1.398956
  H      -5.344039     -7.775222      2.856175
  H      -4.442156     -6.521259      0.225046
  H      -3.856845     -8.013719      0.993096
  H      -1.205756     -4.191765      0.051131
  H      -2.899187     -4.408235     -0.293500
  H      -1.157715     -6.063419      1.581207
  H      -2.082054     -6.661044      0.188874
  C      -1.572682     -2.864105      2.204423
  C      -0.183463     -3.082377      1.969942
  C       0.790265     -2.313153      2.574398
  C       0.448403     -1.263236      3.449569
  C      -0.880701     -0.995237      3.681007
  C      -1.914589     -1.754355      3.071291
  C      -3.284926     -1.446510      3.313738
  O      -4.228891     -2.290725      3.083484
  C      -3.771910     -0.140708      3.809019
  F      -4.990823     -0.281212      4.390345
  S      -3.136820      1.340659      3.604788
  C      -7.137587     -5.762936      3.135981
  C      -7.706119     -6.999916      3.564326
  C      -8.901006     -7.085520      4.260198
  C      -9.648784     -5.941443      4.569929
  C      -9.168632     -4.726182      4.131904
  C      -7.953080     -4.597648      3.414940
  C      -7.656925     -3.286911      2.909451
  O      -6.613747     -2.937806      2.322719
  C      -8.700132     -2.191787      3.004718
  F      -9.666476     -2.375293      2.066526
  S      -8.662819     -0.908532      3.969259
  C      -2.705855     -3.915869      5.279377
  C      -1.426737     -3.839174      5.896701
  C      -1.186119     -2.960045      6.934034
  C      -2.210726     -2.144439      7.458476
  C      -3.487412     -2.261733      6.954306
  C      -3.772740     -3.148043      5.884347
  C      -5.099113     -3.522893      5.521391
  O      -5.401089     -4.159240      4.464482
  C      -6.276979     -3.345537      6.427657
  F      -6.838358     -4.543162      6.720001
  S      -6.920990     -1.944610      6.869724
  H       0.137577     -3.909688      1.340152
  H       1.840227     -2.546967      2.388951
  H       1.224216     -0.683943      3.949475
  H      -1.161957     -0.205328      4.373083
  H      -7.180477     -7.932298      3.385058
  H      -9.249916     -8.069472      4.579673
  H     -10.580452     -6.009069      5.130155
  H      -9.736281     -3.820030      4.350697
  H      -0.600687     -4.419633      5.489136
  H      -0.174599     -2.881911      7.336770
  H      -1.997401     -1.438899      8.260860
  H      -4.298801     -1.660323      7.361028
  N      -5.068180     -3.819567      0.513652
  H      -6.085871     -3.852340      0.601323
  H      -4.802653     -4.398414     -0.284945
  H      -4.813733     -2.851295      0.294718
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630431913703
  N      -2.534075     -3.649859      1.629510
  C      -2.155955     -4.497472      0.507062
  C      -2.081668     -5.925440      1.005463
  N      -3.248627     -6.191489      1.914050
  C      -4.258989     -7.006298      1.194342
  C      -5.514314     -7.084738      2.013232
  N      -5.918326     -5.753416      2.480336
  Mo     -4.295811     -4.296043      2.643392
  N      -2.937353     -4.716216      4.205974
  C      -2.025434     -5.833616      3.992992
  C      -2.753513     -6.860746      3.154436
  H      -1.747179     -6.290517      4.955698
  H      -1.084431     -5.510390      3.510549
  H      -3.614829     -7.236859      3.718018
  H      -2.104873     -7.710271      2.885118
  H      -6.310553     -7.541519      1.401963
  H      -5.342628     -7.774615      2.858650
  H      -4.443355     -6.521791      0.226003
  H      -3.857118     -8.013702      0.994315
  H      -1.207376     -4.190823      0.049515
  H      -2.901149     -4.406764     -0.294139
  H      -1.158323     -6.061672      1.579688
  H      -2.083051     -6.660241      0.187919
  C      -1.573032     -2.864074      2.203981
  C      -0.183936     -3.083234      1.969564
  C       0.790308     -2.315946      2.575600
  C       0.449026     -1.267463      3.452677
  C      -0.879917     -0.998621      3.684146
  C      -1.914393     -1.755168      3.072195
  C      -3.284723     -1.446210      3.313943
  O      -4.229171     -2.289616      3.082581
  C      -3.771250     -0.140390      3.809800
  F      -4.987114     -0.281576      4.397347
  S      -3.132497      1.340590      3.613564
  C      -7.137862     -5.763054      3.137385
  C      -7.706305     -7.000121      3.565496
  C      -8.902159     -7.086168      4.259673
  C      -9.651141     -5.942404      4.567559
  C      -9.171071     -4.727083      4.129608
  C      -7.954333     -4.597994      3.414729
  C      -7.658420     -3.287166      2.909283
  O      -6.615197     -2.937587      2.322841
  C      -8.703249     -2.193242      3.000866
  F      -9.666181     -2.378143      2.059505
  S      -8.669566     -0.908218      3.963241
  C      -2.704308     -3.914173      5.278555
  C      -1.424923     -3.836721      5.895298
  C      -1.184290     -2.957304      6.932403
  C      -2.209079     -2.142131      7.457231
  C      -3.485862     -2.260036      6.953492
  C      -3.771148     -3.146464      5.883632
  C      -5.097470     -3.521966      5.521514
  O      -5.399673     -4.158492      4.464592
  C      -6.274496     -3.345757      6.429003
  F      -6.836763     -4.543731      6.718397
  S      -6.920668     -1.945358      6.869341
  H       0.136332     -3.910134      1.338842
  H       1.840139     -2.550503      2.390355
  H       1.225145     -0.689966      3.954191
  H      -1.160537     -0.209916      4.377766
  H      -7.180066     -7.932326      3.387056
  H      -9.250937     -8.070200      4.579041
  H     -10.583659     -6.010280      5.126339
  H      -9.739782     -3.821301      4.347074
  H      -0.598736     -4.416772      5.487454
  H      -0.172647     -2.878734      7.334742
  H      -1.995811     -1.436476      8.259530
  H      -4.297403     -1.658954      7.360483
  N      -5.070292     -3.821145      0.514828
  H      -6.087760     -3.853750      0.605382
  H      -4.806868     -4.399313     -0.284946
  H      -4.816098     -2.852735      0.296175
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630435622439
  N      -2.534339     -3.649716      1.629798
  C      -2.156105     -4.497576      0.507452
  C      -2.081712     -5.925298      1.005957
  N      -3.248755     -6.191393      1.914410
  C      -4.259021     -7.006385      1.194419
  C      -5.514423     -7.085051      2.013129
  N      -5.918538     -5.753887      2.480323
  Mo     -4.296134     -4.296466      2.643506
  N      -2.937893     -4.716943      4.206504
  C      -2.025943     -5.834288      3.993565
  C      -2.753812     -6.861232      3.154613
  H      -1.747746     -6.291337      4.956220
  H      -1.084977     -5.510944      3.511116
  H      -3.615227     -7.237721      3.717777
  H      -2.104983     -7.710463      2.884867
  H      -6.310416     -7.541875      1.401534
  H      -5.342993     -7.775227      2.858373
  H      -4.443135     -6.521802      0.226087
  H      -3.856936     -8.013726      0.994564
  H      -1.207417     -4.191144      0.049990
  H      -2.901253     -4.406845     -0.293717
  H      -1.158433     -6.061650      1.580295
  H      -2.082753     -6.660324      0.188593
  C      -1.573245     -2.863802      2.204081
  C      -0.184158     -3.082651      1.969178
  C       0.790096     -2.315207      2.575067
  C       0.448883     -1.266901      3.452342
  C      -0.880039     -0.998303      3.684182
  C      -1.914453     -1.755043      3.072449
  C      -3.284853     -1.446473      3.314618
  O      -4.229012     -2.290039      3.083116
  C      -3.771212     -0.141065      3.811483
  F      -4.987140     -0.282738      4.399199
  S      -3.132794      1.340081      3.615779
  C      -7.137967     -5.763465      3.137445
  C      -7.706596     -7.000448      3.565534
  C      -8.902326     -7.086199      4.259929
  C      -9.650887     -5.942197      4.568006
  C      -9.170540     -4.726899      4.130350
  C      -7.953771     -4.598098      3.415316
  C      -7.657544     -3.287729      2.909504
  O      -6.614133     -2.938826      2.322584
  C      -8.700681     -2.192495      3.001655
  F      -9.661879     -2.373476      2.057846
  S      -8.666300     -0.910081      3.967427
  C      -2.704750     -3.914450      5.278684
  C      -1.425263     -3.836653      5.895247
  C      -1.184556     -2.956550      6.931732
  C      -2.209338     -2.140942      7.455999
  C      -3.486168     -2.259124      6.952529
  C      -3.771639     -3.146475      5.883525
  C      -5.097775     -3.522770      5.521725
  O      -5.400106     -4.159323      4.464826
  C      -6.274783     -3.346835      6.429273
  F      -6.838166     -4.544697      6.716620
  S      -6.922890     -1.946626      6.867632
  H       0.136382     -3.909263      1.338220
  H       1.839918     -2.549457      2.389381
  H       1.225078     -0.689310      3.953640
  H      -1.160801     -0.209608      4.377796
  H      -7.180398     -7.932628      3.386868
  H      -9.251292     -8.070146      4.579345
  H     -10.583402     -6.009636      5.126855
  H      -9.738952     -3.820977      4.347908
  H      -0.599176     -4.416896      5.487472
  H      -0.172909     -2.877558      7.333969
  H      -1.995794     -1.434658      8.257674
  H      -4.297654     -1.657583      7.358958
  N      -5.070227     -3.821055      0.513354
  H      -6.087741     -3.853214      0.603690
  H      -4.807011     -4.399462     -0.286285
  H      -4.815860     -2.852775      0.294342
72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca E -7245.630438619350
  N      -2.533904     -3.649587      1.630195
  C      -2.155953     -4.497451      0.507658
  C      -2.081961     -5.925105      1.005942
  N      -3.248847     -6.191213      1.914496
  C      -4.259395     -7.006223      1.194531
  C      -5.514650     -7.084960      2.013463
  N      -5.918949     -5.753879      2.480416
  Mo     -4.295719     -4.296850      2.643620
  N      -2.937896     -4.717693      4.207035
  C      -2.025993     -5.834984      3.993795
  C      -2.753786     -6.861652      3.154416
  H      -1.747719     -6.292417      4.956250
  H      -1.085133     -5.511390      3.511291
  H      -3.615156     -7.238637      3.717289
  H      -2.104754     -7.710535      2.884097
  H      -6.310510     -7.542192      1.401944
  H      -5.343048     -7.775215      2.858626
  H      -4.443434     -6.521487      0.226286
  H      -3.857351     -8.013579      0.994718
  H      -1.206902     -4.191727      0.050471
  H      -2.901047     -4.405795     -0.293390
  H      -1.158682     -6.061746      1.580269
  H      -2.082852     -6.660259      0.188678
  C      -1.572932     -2.863447      2.204280
  C      -0.183791     -3.081724      1.968885
  C       0.790289     -2.314112      2.574860
  C       0.448913     -1.266158      3.452484
  C      -0.880020     -0.997869      3.684485
  C      -1.914244     -1.754833      3.072739
  C      -3.284777     -1.446267      3.314437
  O      -4.228934     -2.289421      3.082081
  C      -3.770719     -0.140618      3.811145
  F      -4.987463     -0.281784      4.397630
  S      -3.132153      1.340290      3.614828
  C      -7.138020     -5.763380      3.138180
  C      -7.706266     -7.000276      3.566972
  C      -8.901924     -7.086013      4.261469
  C      -9.650749     -5.942013      4.568863
  C      -9.170680     -4.726756      4.130827
  C      -7.953775     -4.597904      3.415866
  C      -7.658312     -3.287923      2.909060
  O      -6.615351     -2.938976      2.321122
  C      -8.701207     -2.192495      3.000316
  F      -9.659901     -2.371632      2.053747
  S      -8.668453     -0.911651      3.968229
  C      -2.704687     -3.915086      5.278968
  C      -1.425360     -3.837872      5.896035
  C      -1.184678     -2.957774      6.932490
  C      -2.209348     -2.141627      7.456281
  C      -3.486046     -2.259318      6.952482
  C      -3.771554     -3.146679      5.883509
  C      -5.097532     -3.522667      5.521243
  O      -5.400011     -4.158777      4.464010
  C      -6.274440     -3.347658      6.429052
  F      -6.837802     -4.545750      6.715321
  S      -6.923472     -1.947903      6.867556
  H       0.137102     -3.907918      1.337573
  H       1.840157     -2.547878      2.388835
  H       1.225067     -0.688528      3.953812
  H      -1.161031     -0.209297      4.378166
  H      -7.179643     -7.932267      3.388583
  H      -9.250570     -8.069888      4.581454
  H     -10.583361     -6.009135      5.127604
  H      -9.739406     -3.820914      4.347828
  H      -0.599473     -4.418550      5.488475
  H      -0.173184     -2.879073      7.335157
  H      -1.995592     -1.435317      8.257876
  H      -4.297452     -1.657308      7.358405
  N      -5.070174     -3.821028      0.512326
  H      -6.087558     -3.851743      0.604904
  H      -4.809409     -4.399522     -0.288031
  H      -4.815198     -2.853002      0.292929
