96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.806442919044
  N      -3.622057     -3.554350      2.142430
  C      -3.158072     -4.433726      1.093194
  C      -2.646735     -5.740090      1.703975
  N      -3.507972     -6.151642      2.806710
  C      -4.737820     -6.772000      2.327325
  C      -5.845877     -6.622469      3.373314
  N      -5.814667     -5.281339      3.914478
  Mo     -4.055154     -4.417486      3.844382
  N      -2.518494     -4.901013      4.976910
  C      -1.884354     -6.158792      4.649256
  C      -2.803454     -6.999773      3.758894
  H      -1.658396     -6.757426      5.544607
  H      -0.919141     -5.993185      4.130980
  H      -3.555619     -7.463521      4.400166
  H      -2.235157     -7.794719      3.250031
  H      -6.803153     -6.850892      2.882593
  H      -5.710722     -7.377635      4.169950
  H      -5.049283     -6.225074      1.433303
  H      -4.577821     -7.829129      2.062685
  H      -2.333179     -3.991629      0.516502
  H      -3.969814     -4.650582      0.371447
  H      -1.655991     -5.547952      2.119496
  H      -2.565214     -6.530113      0.941020
  C      -3.907940     -1.792817      0.371384
  C      -3.610476     -2.154093      1.834242
  C      -2.289487     -1.447572      2.307366
  C      -1.050790     -2.072425      1.762517
  C      -0.472962     -3.145841      2.437352
  C       0.657527     -3.765345      1.942393
  C       1.247236     -3.325423      0.760686
  C       2.481670     -3.978345      0.238659
  Cl      3.954000     -3.184506      0.943253
  C       0.682649     -2.242229      0.094839
  C      -0.450859     -1.625069      0.589182
  C      -7.896559     -5.643932      5.253335
  C      -7.091681     -4.753703      4.292569
  C      -7.956390     -4.394301      3.038038
  C      -8.999846     -3.377801      3.359035
  C     -10.309135     -3.744499      3.654081
  C     -11.255723     -2.793784      3.985926
  C     -10.920213     -1.444772      4.029611
  C     -11.938930     -0.420266      4.398420
  Cl    -11.974012     -0.200223      6.198451
  C      -9.610734     -1.072802      3.741371
  C      -8.668787     -2.026206      3.409474
  C      -0.534106     -4.451802      6.457582
  C      -2.027183     -4.246880      6.156398
  C      -2.873771     -4.594922      7.436968
  C      -3.117709     -6.056576      7.591043
  C      -2.315350     -6.861926      8.393374
  C      -2.544964     -8.221698      8.484048
  C      -3.594021     -8.809628      7.784367
  C      -3.826119    -10.280343      7.854237
  Cl     -2.940848    -11.104217      6.500885
  C      -4.402568     -8.004379      6.987675
  C      -4.170125     -6.646121      6.892638
  H      -4.813714     -2.297594      0.041432
  H      -4.063025     -0.719418      0.283268
  H      -3.091982     -2.076859     -0.287715
  H      -4.409041     -1.697675      2.438964
  H      -2.344877     -0.395249      2.023511
  H      -2.266828     -1.527452      3.397044
  H      -0.938878     -3.493115      3.350967
  H       1.099330     -4.597064      2.474604
  H       2.580985     -3.871606     -0.840413
  H       2.549050     -5.025872      0.528360
  H       1.139344     -1.881370     -0.816214
  H      -0.871677     -0.781903      0.059595
  H      -8.788069     -5.116650      5.585737
  H      -8.201466     -6.570698      4.772271
  H      -7.293107     -5.889471      6.125201
  H      -6.889368     -3.808386      4.814506
  H      -7.263264     -3.997947      2.290295
  H      -8.421122     -5.299598      2.644993
  H     -10.592873     -4.786649      3.615831
  H     -12.268499     -3.098034      4.209905
  H     -11.706069      0.560596      3.987252
  H     -12.947442     -0.722808      4.120890
  H      -9.335927     -0.027983      3.771746
  H      -7.658810     -1.724663      3.168201
  H      -0.225964     -3.776099      7.252987
  H       0.063078     -4.230910      5.575265
  H      -0.324846     -5.470915      6.772426
  H      -2.170948     -3.165657      5.998849
  H      -3.838398     -4.093888      7.329558
  H      -2.358715     -4.192829      8.310578
  H      -1.501202     -6.420503      8.951254
  H      -1.908338     -8.835919      9.105652
  H      -4.874279    -10.542481      7.718836
  H      -3.435532    -10.720020      8.770470
  H      -5.222171     -8.455148      6.444436
  H      -4.788136     -6.021517      6.256311
  N      -4.597230     -2.642888      4.890258
  N      -4.915232     -1.601847      5.503806
  H      -5.178739     -0.753491      5.002382
  H      -4.920296     -1.570978      6.523409
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.831840885701
  N      -3.610009     -3.561631      2.114289
  C      -3.137578     -4.447585      1.050890
  C      -2.624031     -5.751796      1.658770
  N      -3.503908     -6.175676      2.769222
  C      -4.747990     -6.801938      2.272010
  C      -5.858214     -6.659343      3.313988
  N      -5.829615     -5.307711      3.870661
  Mo     -4.067021     -4.421005      3.821693
  N      -2.534591     -4.927169      4.968400
  C      -1.883884     -6.193385      4.632024
  C      -2.793789     -7.036630      3.737773
  H      -1.658046     -6.799433      5.525128
  H      -0.913331     -6.021570      4.120149
  H      -3.549576     -7.512677      4.375973
  H      -2.219559     -7.829974      3.225495
  H      -6.815868     -6.887399      2.815036
  H      -5.730087     -7.425650      4.105435
  H      -5.053209     -6.249041      1.373661
  H      -4.581830     -7.859782      1.999552
  H      -2.307306     -4.004633      0.477446
  H      -3.943987     -4.664043      0.319130
  H      -1.628628     -5.560169      2.080109
  H      -2.536417     -6.543796      0.893344
  C      -3.908433     -1.789579      0.351656
  C      -3.603396     -2.141199      1.816699
  C      -2.291445     -1.423688      2.301259
  C      -1.029976     -2.028636      1.763993
  C      -0.425501     -3.095663      2.445561
  C       0.714164     -3.709648      1.940698
  C       1.290783     -3.269653      0.744387
  C       2.523452     -3.923118      0.212659
  Cl      4.026041     -3.134500      0.886526
  C       0.707450     -2.188900      0.074549
  C      -0.436006     -1.577026      0.578759
  C      -7.920404     -5.669181      5.213448
  C      -7.116854     -4.770350      4.258264
  C      -7.978180     -4.380924      3.008453
  C      -9.018805     -3.355199      3.341979
  C     -10.344207     -3.710741      3.621119
  C     -11.285915     -2.748226      3.971248
  C     -10.929382     -1.398240      4.051382
  C     -11.936876     -0.365579      4.440172
  Cl    -11.996958     -0.164984      6.253484
  C      -9.605968     -1.036451      3.775701
  C      -8.668278     -2.000795      3.425543
  C      -0.547487     -4.469817      6.445059
  C      -2.045859     -4.264045      6.166026
  C      -2.879316     -4.601244      7.463304
  C      -3.131607     -6.064975      7.662480
  C      -2.284485     -6.867091      8.437066
  C      -2.502141     -8.237289      8.548020
  C      -3.587806     -8.838511      7.902591
  C      -3.800144    -10.314111      7.973665
  Cl     -2.996631    -11.135670      6.553609
  C      -4.454964     -8.035898      7.154785
  C      -4.232077     -6.669794      7.035995
  H      -4.818757     -2.305661      0.019106
  H      -4.073701     -0.709123      0.261188
  H      -3.086539     -2.068133     -0.319267
  H      -4.405848     -1.692407      2.424225
  H      -2.361203     -0.363836      2.017464
  H      -2.280555     -1.499816      3.397414
  H      -0.881006     -3.447926      3.372324
  H       1.172983     -4.541708      2.478277
  H       2.606471     -3.827622     -0.874358
  H       2.588659     -4.975111      0.508250
  H       1.156445     -1.826197     -0.851553
  H      -0.877129     -0.736350      0.041517
  H      -8.818034     -5.141028      5.557194
  H      -8.233908     -6.599543      4.721145
  H      -7.312430     -5.927201      6.090116
  H      -6.905916     -3.830650      4.790230
  H      -7.276761     -3.975588      2.265112
  H      -8.451853     -5.280790      2.590776
  H     -10.644493     -4.757550      3.555976
  H     -12.314164     -3.045588      4.183537
  H     -11.687204      0.623902      4.044964
  H     -12.952177     -0.647032      4.144062
  H      -9.314065      0.013427      3.833191
  H      -7.641911     -1.705036      3.199521
  H      -0.228848     -3.789126      7.243625
  H       0.046929     -4.245945      5.549987
  H      -0.326608     -5.497080      6.760767
  H      -2.192658     -3.183510      6.009288
  H      -3.846377     -4.087279      7.371633
  H      -2.337707     -4.184073      8.323566
  H      -1.433141     -6.414420      8.947495
  H      -1.820710     -8.851378      9.139025
  H      -4.858053    -10.585988      7.904764
  H      -3.349908    -10.758771      8.866394
  H      -5.310218     -8.497258      6.657286
  H      -4.899378     -6.051827      6.433961
  N      -4.613755     -2.722461      4.834904
  N      -4.951746     -1.669763      5.464328
  H      -5.218389     -0.805724      4.970000
  H      -4.971279     -1.637608      6.494000
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.841317538577
  N      -3.596295     -3.540445      2.096136
  C      -3.115792     -4.446631      1.015533
  C      -2.602059     -5.755105      1.625717
  N      -3.498269     -6.182577      2.758794
  C      -4.765583     -6.823152      2.254196
  C      -5.877679     -6.677215      3.302097
  N      -5.848337     -5.302245      3.870516
  Mo     -4.073818     -4.379409      3.833522
  N      -2.524644     -4.921373      4.983313
  C      -1.862406     -6.211046      4.640186
  C      -2.773141     -7.060059      3.744446
  H      -1.637228     -6.820072      5.533308
  H      -0.889412     -6.037563      4.130821
  H      -3.531287     -7.539149      4.384234
  H      -2.200156     -7.855323      3.229368
  H      -6.837978     -6.906786      2.803132
  H      -5.750646     -7.445473      4.094503
  H      -5.068602     -6.270406      1.351235
  H      -4.596438     -7.882514      1.981514
  H      -2.281917     -4.007446      0.440771
  H      -3.921906     -4.661683      0.281244
  H      -1.602306     -5.565582      2.048435
  H      -2.515337     -6.552074      0.862350
  C      -3.887171     -1.780075      0.309632
  C      -3.581100     -2.101818      1.781238
  C      -2.269911     -1.383913      2.262869
  C      -0.999684     -1.996929      1.738856
  C      -0.389244     -3.061288      2.436155
  C       0.757652     -3.683266      1.936683
  C       1.337840     -3.255323      0.730407
  C       2.571375     -3.917725      0.208733
  Cl      4.093173     -3.134297      0.866761
  C       0.751899     -2.177524      0.044296
  C      -0.399253     -1.557410      0.543346
  C      -7.948446     -5.675504      5.214518
  C      -7.155363     -4.765246      4.262433
  C      -8.015691     -4.371297      3.013486
  C      -9.065813     -3.348400      3.349594
  C     -10.399627     -3.708046      3.622243
  C     -11.349438     -2.743543      3.976944
  C     -10.993179     -1.387205      4.068654
  C     -12.003609     -0.356668      4.460635
  Cl    -12.086659     -0.150883      6.281198
  C      -9.662531     -1.020660      3.799076
  C      -8.716175     -1.986265      3.444310
  C      -0.520768     -4.488369      6.458456
  C      -2.020649     -4.263644      6.202097
  C      -2.849400     -4.604074      7.500567
  C      -3.118072     -6.071303      7.698989
  C      -2.265046     -6.889269      8.464464
  C      -2.492228     -8.266781      8.572650
  C      -3.594100     -8.860598      7.933751
  C      -3.816769    -10.336130      7.997640
  Cl     -3.039822    -11.172636      6.560068
  C      -4.469104     -8.044350      7.198282
  C      -4.236413     -6.672447      7.082575
  H      -4.804344     -2.301664     -0.016554
  H      -4.050184     -0.695238      0.197768
  H      -3.064282     -2.073720     -0.364804
  H      -4.381736     -1.640602      2.382672
  H      -2.337813     -0.322305      1.964372
  H      -2.267604     -1.443968      3.364010
  H      -0.845097     -3.407376      3.371368
  H       1.218763     -4.513471      2.488135
  H       2.654412     -3.838479     -0.883178
  H       2.629874     -4.969955      0.518314
  H       1.204533     -1.823398     -0.891008
  H      -0.843920     -0.718831     -0.007127
  H      -8.856172     -5.156389      5.564970
  H      -8.257823     -6.612755      4.717012
  H      -7.335665     -5.934539      6.095205
  H      -6.950168     -3.825196      4.797724
  H      -7.312447     -3.956511      2.271786
  H      -8.486398     -5.274179      2.583992
  H     -10.699431     -4.761292      3.548107
  H     -12.384548     -3.045039      4.184143
  H     -11.752362      0.637749      4.068687
  H     -13.020384     -0.636731      4.155116
  H      -9.370507      0.035683      3.865442
  H      -7.682797     -1.685447      3.224294
  H      -0.184472     -3.816674      7.265314
  H       0.071438     -4.259337      5.555473
  H      -0.300478     -5.526493      6.762128
  H      -2.160342     -3.180844      6.058786
  H      -3.814066     -4.074665      7.419956
  H      -2.292710     -4.194917      8.361899
  H      -1.399449     -6.442136      8.969405
  H      -1.804230     -8.892261      9.155990
  H      -4.881201    -10.599948      7.941764
  H      -3.359475    -10.791263      8.885890
  H      -5.339122     -8.498792      6.705786
  H      -4.912573     -6.048802      6.489397
  N      -4.606722     -2.756351      4.806075
  N      -4.957222     -1.686210      5.450037
  H      -5.227883     -0.813638      4.961856
  H      -4.981458     -1.649347      6.484575
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.849043066837
  N      -3.584084     -3.537048      2.082462
  C      -3.104747     -4.454939      1.020515
  C      -2.597603     -5.749658      1.650061
  N      -3.503330     -6.164975      2.772211
  C      -4.763426     -6.801547      2.262450
  C      -5.873395     -6.656109      3.301484
  N      -5.852795     -5.286443      3.861605
  Mo     -4.086950     -4.337989      3.830004
  N      -2.543966     -4.889921      4.984124
  C      -1.887309     -6.178470      4.656095
  C      -2.796224     -7.029922      3.772984
  H      -1.668970     -6.775974      5.557600
  H      -0.913681     -6.010365      4.151054
  H      -3.567499     -7.493873      4.405580
  H      -2.227748     -7.833487      3.269211
  H      -6.831912     -6.886282      2.801756
  H      -5.750605     -7.419545      4.096915
  H      -5.051709     -6.251586      1.354152
  H      -4.585962     -7.859466      1.996000
  H      -2.265402     -4.022573      0.450103
  H      -3.904798     -4.672619      0.283686
  H      -1.605662     -5.561800      2.087420
  H      -2.504960     -6.557362      0.901067
  C      -3.851950     -1.790065      0.290543
  C      -3.553576     -2.101345      1.762936
  C      -2.241349     -1.406873      2.257073
  C      -0.971755     -2.032603      1.748684
  C      -0.375025     -3.099290      2.452534
  C       0.767436     -3.734309      1.960747
  C       1.356214     -3.318834      0.754289
  C       2.583136     -3.995248      0.238030
  Cl      4.119001     -3.226681      0.888748
  C       0.780995     -2.241718      0.059746
  C      -0.364524     -1.608396      0.552123
  C      -7.936241     -5.674529      5.209273
  C      -7.156391     -4.753688      4.261909
  C      -8.016150     -4.347822      3.020701
  C      -9.074778     -3.338584      3.369139
  C     -10.408905     -3.709072      3.620286
  C     -11.363826     -2.758703      3.994580
  C     -11.012358     -1.405347      4.129569
  C     -12.027457     -0.390054      4.539995
  Cl    -12.130709     -0.222925      6.367310
  C      -9.681717     -1.027619      3.879278
  C      -8.730284     -1.979097      3.504868
  C      -0.553747     -4.429924      6.461457
  C      -2.052121     -4.219877      6.198252
  C      -2.900236     -4.569542      7.472284
  C      -3.149940     -6.039700      7.664689
  C      -2.288269     -6.847180      8.430130
  C      -2.486392     -8.229232      8.523174
  C      -3.564546     -8.841438      7.863425
  C      -3.757582    -10.320425      7.918268
  Cl     -2.949625    -11.151136      6.489523
  C      -4.450162     -8.036254      7.127967
  C      -4.247402     -6.658701      7.030960
  H      -4.773376     -2.301937     -0.034968
  H      -4.001291     -0.704742      0.167862
  H      -3.033067     -2.096709     -0.381413
  H      -4.352041     -1.635814      2.362367
  H      -2.291624     -0.344489      1.959792
  H      -2.254788     -1.461644      3.357850
  H      -0.835229     -3.436742      3.387699
  H       1.218284     -4.563281      2.519697
  H       2.667455     -3.924425     -0.853677
  H       2.632723     -5.045887      0.551522
  H       1.239375     -1.897035     -0.874518
  H      -0.800095     -0.770325     -0.003666
  H      -8.847803     -5.167634      5.566234
  H      -8.241106     -6.610438      4.708437
  H      -7.320603     -5.935062      6.086451
  H      -6.944203     -3.818487      4.801938
  H      -7.316729     -3.915594      2.286487
  H      -8.477684     -5.245325      2.571887
  H     -10.703621     -4.759522      3.513733
  H     -12.398302     -3.068467      4.184099
  H     -11.778026      0.614052      4.174426
  H     -13.040642     -0.664015      4.219884
  H      -9.393688      0.025751      3.978293
  H      -7.696375     -1.670328      3.307209
  H      -0.227959     -3.756230      7.270541
  H       0.042730     -4.195361      5.563765
  H      -0.322156     -5.463804      6.767145
  H      -2.206420     -3.140761      6.046216
  H      -3.868574     -4.052117      7.370408
  H      -2.371301     -4.150848      8.345774
  H      -1.441446     -6.386251      8.951339
  H      -1.794396     -8.843653      9.110733
  H      -4.815053    -10.605675      7.851208
  H      -3.303100    -10.769480      8.810186
  H      -5.304634     -8.501888      6.622146
  H      -4.934299     -6.045428      6.440256
  N      -4.620410     -2.785035      4.752247
  N      -4.989571     -1.714482      5.390734
  H      -5.251470     -0.846633      4.901990
  H      -5.037136     -1.677638      6.418409
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.851939848244
  N      -3.559239     -3.528619      2.074676
  C      -3.095403     -4.443656      1.021091
  C      -2.603223     -5.738507      1.650678
  N      -3.513760     -6.149322      2.754656
  C      -4.765908     -6.765868      2.238601
  C      -5.874488     -6.624674      3.270591
  N      -5.856021     -5.272300      3.833139
  Mo     -4.095916     -4.305865      3.818102
  N      -2.564596     -4.892544      4.965218
  C      -1.920198     -6.172314      4.636813
  C      -2.830604     -7.012340      3.755506
  H      -1.703782     -6.768346      5.539243
  H      -0.946782     -6.004723      4.133391
  H      -3.614565     -7.464766      4.376119
  H      -2.269083     -7.822462      3.254849
  H      -6.833039     -6.843567      2.767322
  H      -5.762204     -7.394122      4.061123
  H      -5.038576     -6.208306      1.332007
  H      -4.587783     -7.821588      1.965319
  H      -2.250621     -4.015639      0.456147
  H      -3.895339     -4.647675      0.281949
  H      -1.616911     -5.563906      2.100228
  H      -2.510878     -6.547460      0.903429
  C      -3.796057     -1.762599      0.306666
  C      -3.503669     -2.093897      1.772498
  C      -2.184036     -1.435103      2.282797
  C      -0.922692     -2.066452      1.769573
  C      -0.332502     -3.138224      2.463231
  C       0.798437     -3.779760      1.961998
  C       1.380096     -3.367197      0.753801
  C       2.590717     -4.054871      0.220502
  Cl      4.142975     -3.306404      0.854779
  C       0.809720     -2.284524      0.069157
  C      -0.322622     -1.644354      0.572325
  C      -7.937508     -5.669556      5.164684
  C      -7.152284     -4.738379      4.236760
  C      -8.003406     -4.307048      3.001461
  C      -9.079091     -3.325604      3.367090
  C     -10.410228     -3.719331      3.578420
  C     -11.379001     -2.798902      3.977177
  C     -11.045437     -1.451394      4.177978
  C     -12.076009     -0.467149      4.612066
  Cl    -12.209190     -0.372060      6.444875
  C      -9.717165     -1.050546      3.966944
  C      -8.752175     -1.972428      3.568226
  C      -0.570100     -4.419829      6.421273
  C      -2.066523     -4.211087      6.165135
  C      -2.920481     -4.540114      7.436237
  C      -3.165678     -6.002995      7.661320
  C      -2.282395     -6.797900      8.409298
  C      -2.469308     -8.176655      8.516482
  C      -3.558709     -8.798682      7.890389
  C      -3.738111    -10.276306      7.959343
  Cl     -2.973361    -11.113899      6.510921
  C      -4.471513     -8.002813      7.182449
  C      -4.278381     -6.628221      7.070868
  H      -4.725431     -2.250291     -0.022192
  H      -3.922297     -0.675621      0.191822
  H      -2.987359     -2.077176     -0.368915
  H      -4.296551     -1.628621      2.378633
  H      -2.213160     -0.367459      2.008281
  H      -2.204526     -1.504328      3.381025
  H      -0.787274     -3.475984      3.397891
  H       1.243757     -4.612013      2.514159
  H       2.664366     -3.980562     -0.870077
  H       2.636130     -5.105806      0.527368
  H       1.262260     -1.941286     -0.864658
  H      -0.754666     -0.802644      0.025400
  H      -8.853826     -5.172924      5.517015
  H      -8.235335     -6.598011      4.652941
  H      -7.333789     -5.938504      6.044000
  H      -6.933474     -3.813541      4.790920
  H      -7.305068     -3.843944      2.287666
  H      -8.445461     -5.193634      2.518237
  H     -10.690060     -4.764271      3.421249
  H     -12.409961     -3.126472      4.134538
  H     -11.835092      0.552892      4.292938
  H     -13.080803     -0.737705      4.269186
  H      -9.442876     -0.002800      4.116189
  H      -7.721254     -1.646047      3.405462
  H      -0.237941     -3.743738      7.222978
  H       0.020605     -4.192470      5.521868
  H      -0.336329     -5.448185      6.732422
  H      -2.220855     -3.134477      5.995091
  H      -3.887195     -4.027476      7.317970
  H      -2.405690     -4.100533      8.306071
  H      -1.427399     -6.329658      8.903529
  H      -1.759581     -8.781313      9.086760
  H      -4.792740    -10.571573      7.929054
  H      -3.250429    -10.718001      8.835144
  H      -5.336282     -8.472268      6.705377
  H      -4.986604     -6.024292      6.499460
  N      -4.636073     -2.821632      4.732056
  N      -5.029414     -1.765623      5.381961
  H      -5.274808     -0.893790      4.904639
  H      -5.113540     -1.756909      6.401377
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.852757299038
  N      -3.543484     -3.540562      2.068993
  C      -3.083648     -4.461232      1.024263
  C      -2.597883     -5.754026      1.663401
  N      -3.513802     -6.154996      2.761455
  C      -4.767112     -6.760289      2.246160
  C      -5.875884     -6.611414      3.277084
  N      -5.850660     -5.262807      3.836768
  Mo     -4.088759     -4.298056      3.815608
  N      -2.561470     -4.889916      4.961741
  C      -1.929498     -6.174112      4.647367
  C      -2.846565     -7.012511      3.771623
  H      -1.718199     -6.763278      5.555922
  H      -0.953600     -6.020017      4.143213
  H      -3.638508     -7.448365      4.393927
  H      -2.292680     -7.835771      3.283264
  H      -6.835624     -6.824489      2.773150
  H      -5.770098     -7.383182      4.067071
  H      -5.036199     -6.202261      1.338855
  H      -4.596659     -7.817712      1.972561
  H      -2.237800     -4.039013      0.456151
  H      -3.884071     -4.667660      0.285768
  H      -1.613321     -5.579473      2.116227
  H      -2.503051     -6.567153      0.920386
  C      -3.777690     -1.781826      0.293453
  C      -3.487081     -2.108260      1.760557
  C      -2.167745     -1.448486      2.269756
  C      -0.906747     -2.079995      1.758622
  C      -0.314850     -3.144649      2.458928
  C       0.818131     -3.785600      1.963876
  C       1.399062     -3.379756      0.753883
  C       2.613114     -4.065240      0.226110
  Cl      4.158592     -3.301255      0.856092
  C       0.824218     -2.305567      0.060414
  C      -0.309622     -1.665798      0.557960
  C      -7.934788     -5.648330      5.167188
  C      -7.140520     -4.720351      4.243386
  C      -7.989421     -4.277743      3.009669
  C      -9.077078     -3.313400      3.382279
  C     -10.406505     -3.721979      3.570900
  C     -11.386608     -2.818415      3.977021
  C     -11.067083     -1.472626      4.208369
  C     -12.110198     -0.506420      4.650237
  Cl    -12.258343     -0.446383      6.484288
  C      -9.740283     -1.057132      4.020150
  C      -8.764092     -1.962335      3.614266
  C      -0.571078     -4.415303      6.425007
  C      -2.064190     -4.200998      6.155759
  C      -2.931294     -4.522359      7.418136
  C      -3.175823     -5.984808      7.640475
  C      -2.296715     -6.780383      8.391302
  C      -2.483825     -8.158382      8.493832
  C      -3.565817     -8.780151      7.855792
  C      -3.746505    -10.257386      7.925334
  Cl     -2.966210    -11.095693      6.487089
  C      -4.470822     -7.984469      7.139190
  C      -4.279280     -6.609625      7.035087
  H      -4.710036     -2.264993     -0.031898
  H      -3.896546     -0.695291      0.172063
  H      -2.971703     -2.105166     -0.380283
  H      -4.280925     -1.640554      2.363569
  H      -2.195412     -0.380961      1.995873
  H      -2.188839     -1.515838      3.367860
  H      -0.769783     -3.477150      3.394714
  H       1.265711     -4.611299      2.523173
  H       2.687561     -3.998322     -0.864620
  H       2.666380     -5.113174      0.540796
  H       1.276063     -1.967541     -0.875113
  H      -0.743474     -0.829087      0.005771
  H      -8.851334     -5.149288      5.513627
  H      -8.232887     -6.575355      4.654372
  H      -7.337787     -5.919358      6.049829
  H      -6.915477     -3.799504      4.801542
  H      -7.291588     -3.797214      2.307117
  H      -8.418314     -5.161155      2.509972
  H     -10.675652     -4.765368      3.389609
  H     -12.415997     -3.157424      4.116259
  H     -11.877025      0.521675      4.352976
  H     -13.109859     -0.780152      4.295956
  H      -9.476581     -0.010714      4.192637
  H      -7.734909     -1.624074      3.469008
  H      -0.242668     -3.742440      7.230247
  H       0.027735     -4.189007      5.531326
  H      -0.344002     -5.444500      6.736347
  H      -2.212877     -3.124575      5.978633
  H      -3.897062     -4.013260      7.281834
  H      -2.433299     -4.077016      8.294563
  H      -1.448931     -6.312437      8.897020
  H      -1.780500     -8.763128      9.071052
  H      -4.800283    -10.553344      7.883956
  H      -3.267339    -10.698200      8.805917
  H      -5.329516     -8.453342      6.651768
  H      -4.981797     -6.004911      6.458087
  N      -4.637525     -2.807962      4.740392
  N      -5.041478     -1.754927      5.388934
  H      -5.254025     -0.874765      4.911824
  H      -5.192983     -1.771026      6.399685
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.853324713696
  N      -3.527874     -3.538510      2.066265
  C      -3.070604     -4.453653      1.019940
  C      -2.589108     -5.749995      1.656693
  N      -3.508205     -6.153281      2.747402
  C      -4.764709     -6.744911      2.232314
  C      -5.872650     -6.598271      3.266304
  N      -5.840943     -5.257146      3.834186
  Mo     -4.078199     -4.287406      3.812134
  N      -2.550663     -4.894846      4.947858
  C      -1.927340     -6.178967      4.634246
  C      -2.852453     -7.011031      3.760183
  H      -1.714164     -6.768853      5.542066
  H      -0.951635     -6.031840      4.125743
  H      -3.648709     -7.435189      4.384619
  H      -2.306880     -7.844337      3.278588
  H      -6.833560     -6.802828      2.760283
  H      -5.772384     -7.380280      4.047965
  H      -5.035411     -6.179414      1.330092
  H      -4.603036     -7.801381      1.947542
  H      -2.225133     -4.030744      0.451306
  H      -3.871557     -4.657327      0.280633
  H      -1.605948     -5.576371      2.112815
  H      -2.489056     -6.559814      0.910040
  C      -3.762041     -1.766394      0.302168
  C      -3.469556     -2.104326      1.766345
  C      -2.144849     -1.457755      2.275799
  C      -0.892380     -2.096575      1.754388
  C      -0.311877     -3.173528      2.443335
  C       0.815640     -3.819871      1.943707
  C       1.401181     -3.407189      0.738887
  C       2.612139     -4.094299      0.206279
  Cl      4.157747     -3.339907      0.845408
  C       0.834410     -2.323239      0.053991
  C      -0.293835     -1.678440      0.556061
  C      -7.937396     -5.638256      5.147440
  C      -7.125914     -4.706572      4.241479
  C      -7.962903     -4.239348      3.008043
  C      -9.068078     -3.299108      3.387640
  C     -10.397285     -3.725015      3.531960
  C     -11.394614     -2.844028      3.943830
  C     -11.093865     -1.503473      4.225454
  C     -12.155754     -0.562029      4.673442
  Cl    -12.337143     -0.557795      6.506624
  C      -9.767105     -1.070861      4.081676
  C      -8.773861     -1.953563      3.669994
  C      -0.556703     -4.428740      6.409753
  C      -2.046581     -4.200742      6.136171
  C      -2.922379     -4.501333      7.398731
  C      -3.173788     -5.959491      7.637910
  C      -2.298150     -6.753673      8.393859
  C      -2.494400     -8.128837      8.508076
  C      -3.581001     -8.749321      7.876546
  C      -3.769649    -10.224782      7.959225
  Cl     -2.996140    -11.076567      6.526335
  C      -4.482020     -7.954331      7.155266
  C      -4.281763     -6.581847      7.039959
  H      -4.702660     -2.234881     -0.020012
  H      -3.865559     -0.678254      0.184751
  H      -2.964252     -2.098573     -0.376522
  H      -4.260067     -1.637087      2.373923
  H      -2.163103     -0.386789      2.015542
  H      -2.162867     -1.536364      3.373165
  H      -0.772405     -3.511852      3.373975
  H       1.254937     -4.654133      2.496326
  H       2.688929     -4.017736     -0.883496
  H       2.663092     -5.144792      0.511981
  H       1.289615     -1.980905     -0.878068
  H      -0.719619     -0.832646      0.012064
  H      -8.856464     -5.138882      5.484920
  H      -8.232623     -6.559819      4.623925
  H      -7.354179     -5.919310      6.035919
  H      -6.897139     -3.795433      4.813332
  H      -7.259928     -3.731757      2.329878
  H      -8.370608     -5.114503      2.477382
  H     -10.651909     -4.764150      3.311116
  H     -12.423427     -3.196127      4.048515
  H     -11.929756      0.477285      4.412792
  H     -13.146284     -0.836466      4.295534
  H      -9.517593     -0.028394      4.293110
  H      -7.745581     -1.601223      3.558152
  H      -0.223709     -3.761958      7.217677
  H       0.046126     -4.205361      5.518266
  H      -0.339631     -5.460594      6.718049
  H      -2.182390     -3.124222      5.950579
  H      -3.885348     -3.993485      7.241978
  H      -2.436844     -4.042039      8.274859
  H      -1.447930     -6.287108      8.896113
  H      -1.794355     -8.733247      9.089223
  H      -4.824557    -10.516585      7.921923
  H      -3.289689    -10.661275      8.841313
  H      -5.344007     -8.421147      6.672184
  H      -4.979819     -5.977762      6.457294
  N      -4.636163     -2.813132      4.772361
  N      -5.059159     -1.774329      5.433538
  H      -5.252257     -0.884292      4.966920
  H      -5.291313     -1.834585      6.426278
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.853668166941
  N      -3.518599     -3.559811      2.062613
  C      -3.069648     -4.478913      1.016691
  C      -2.593073     -5.776012      1.656704
  N      -3.511401     -6.170965      2.749928
  C      -4.776130     -6.751289      2.244830
  C      -5.878002     -6.596396      3.285768
  N      -5.834070     -5.256318      3.852516
  Mo     -4.066781     -4.286867      3.816594
  N      -2.534148     -4.905521      4.940515
  C      -1.923278     -6.195119      4.632189
  C      -2.861976     -7.024474      3.768772
  H      -1.708515     -6.782036      5.541766
  H      -0.948826     -6.061713      4.116208
  H      -3.660038     -7.431830      4.402399
  H      -2.328791     -7.871446      3.296551
  H      -6.842102     -6.794888      2.782790
  H      -5.781284     -7.382111      4.064773
  H      -5.051492     -6.184026      1.344885
  H      -4.627407     -7.809092      1.956297
  H      -2.226623     -4.061994      0.440176
  H      -3.875527     -4.683048      0.282461
  H      -1.607623     -5.603952      2.108548
  H      -2.495553     -6.587734      0.911308
  C      -3.773082     -1.799240      0.289484
  C      -3.472504     -2.124884      1.754837
  C      -2.152376     -1.461196      2.256431
  C      -0.892728     -2.089347      1.738437
  C      -0.291483     -3.143643      2.444374
  C       0.844405     -3.781082      1.951663
  C       1.418007     -3.380595      0.737109
  C       2.637657     -4.057144      0.210851
  Cl      4.172206     -3.264396      0.829970
  C       0.831640     -2.317160      0.035974
  C      -0.304669     -1.681061      0.531214
  C      -7.940725     -5.616874      5.156294
  C      -7.112988     -4.690657      4.258704
  C      -7.937954     -4.207011      3.023158
  C      -9.053199     -3.278105      3.399908
  C     -10.384164     -3.709636      3.508534
  C     -11.392462     -2.838395      3.914858
  C     -11.101625     -1.502055      4.226511
  C     -12.175437     -0.571721      4.668259
  Cl    -12.386974     -0.594235      6.499183
  C      -9.772998     -1.063827      4.118682
  C      -8.768871     -1.936732      3.712178
  C      -0.540950     -4.453856      6.410101
  C      -2.026348     -4.209962      6.127751
  C      -2.914100     -4.497177      7.384891
  C      -3.172959     -5.953543      7.627711
  C      -2.305935     -6.750432      8.391357
  C      -2.510184     -8.124419      8.506967
  C      -3.595089     -8.741488      7.868389
  C      -3.790482    -10.216007      7.953236
  Cl     -3.007750    -11.073110      6.528382
  C      -4.486219     -7.944216      7.137581
  C      -4.278537     -6.572487      7.021408
  H      -4.715804     -2.270765     -0.022897
  H      -3.876994     -0.712154      0.162452
  H      -2.979096     -2.137838     -0.390747
  H      -4.266157     -1.660726      2.360501
  H      -2.181742     -0.391735      1.990709
  H      -2.167273     -1.532073      3.354601
  H      -0.743390     -3.472309      3.382936
  H       1.298632     -4.598514      2.517536
  H       2.708673     -3.998394     -0.880513
  H       2.708612     -5.101019      0.534984
  H       1.277706     -1.984642     -0.904261
  H      -0.746010     -0.851550     -0.025652
  H      -8.858329     -5.110467      5.487195
  H      -8.240084     -6.535206      4.629028
  H      -7.367240     -5.905322      6.048988
  H      -6.876845     -3.785407      4.836601
  H      -7.227784     -3.686446      2.362057
  H      -8.332242     -5.077127      2.473893
  H     -10.630788     -4.745467      3.263641
  H     -12.422593     -3.194347      3.991728
  H     -11.950736      0.472751      4.427845
  H     -13.158919     -0.845715      4.272027
  H      -9.531191     -0.024430      4.353711
  H      -7.739630     -1.579466      3.626230
  H      -0.206653     -3.796303      7.225134
  H       0.069712     -4.229640      5.523855
  H      -0.335134     -5.490072      6.711915
  H      -2.148492     -3.132564      5.938841
  H      -3.873300     -3.988711      7.208079
  H      -2.441233     -4.030849      8.264309
  H      -1.457369     -6.287138      8.899747
  H      -1.817365     -8.731285      9.094597
  H      -4.846078    -10.504404      7.907554
  H      -3.318830    -10.652455      8.839916
  H      -5.346419     -8.407862      6.647858
  H      -4.968137     -5.966636      6.430361
  N      -4.619289     -2.828662      4.802035
  N      -5.054568     -1.797379      5.470613
  H      -5.244415     -0.905295      5.005885
  H      -5.364069     -1.892667      6.438800
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.853964845071
  N      -3.513018     -3.550584      2.067880
  C      -3.063516     -4.464211      1.015926
  C      -2.589067     -5.764513      1.651384
  N      -3.508127     -6.162806      2.742934
  C      -4.775816     -6.737017      2.237848
  C      -5.875465     -6.585759      3.282250
  N      -5.828267     -5.248557      3.857499
  Mo     -4.059891     -4.273221      3.823734
  N      -2.521937     -4.902156      4.937963
  C      -1.915664     -6.193204      4.624137
  C      -2.860321     -7.018403      3.761997
  H      -1.699152     -6.784395      5.530592
  H      -0.942468     -6.063306      4.104549
  H      -3.658353     -7.421333      4.398982
  H      -2.332415     -7.869479      3.291043
  H      -6.839584     -6.780594      2.777739
  H      -5.779973     -7.377550      4.055196
  H      -5.054205     -6.163236      1.342720
  H      -4.632784     -7.793390      1.940763
  H      -2.219697     -4.046109      0.441557
  H      -3.869038     -4.664285      0.280144
  H      -1.603583     -5.593539      2.104341
  H      -2.489455     -6.572442      0.902194
  C      -3.769668     -1.777331      0.305605
  C      -3.463628     -2.112491      1.767878
  C      -2.136281     -1.462190      2.266415
  C      -0.885123     -2.099596      1.737235
  C      -0.293760     -3.168886      2.430127
  C       0.833944     -3.814062      1.927245
  C       1.408789     -3.406574      0.715344
  C       2.621252     -4.088838      0.179320
  Cl      4.164629     -3.314795      0.801522
  C       0.831432     -2.329926      0.026406
  C      -0.296837     -1.686272      0.531352
  C      -7.946682     -5.612711      5.140285
  C      -7.107552     -4.679555      4.260277
  C      -7.918389     -4.176890      3.022986
  C      -9.046430     -3.262779      3.397652
  C     -10.376921     -3.704465      3.469332
  C     -11.399472     -2.847426      3.871581
  C     -11.123743     -1.515892      4.216560
  C     -12.212913     -0.601321      4.653948
  Cl    -12.456573     -0.655793      6.480978
  C      -9.795618     -1.067377      4.146153
  C      -8.777227     -1.925975      3.743023
  C      -0.525628     -4.465926      6.407561
  C      -2.009217     -4.210155      6.126813
  C      -2.898770     -4.489560      7.384759
  C      -3.160802     -5.944377      7.635602
  C      -2.292731     -6.741147      8.399026
  C      -2.501659     -8.114265      8.522092
  C      -3.592885     -8.730460      7.892616
  C      -3.791754    -10.204263      7.983646
  Cl     -3.019654    -11.068193      6.556115
  C      -4.485396     -7.933155      7.163082
  C      -4.272534     -6.562537      7.038426
  H      -4.720625     -2.236027     -0.002192
  H      -3.860645     -0.688268      0.183405
  H      -2.984368     -2.123672     -0.381237
  H      -4.251956     -1.646892      2.379416
  H      -2.157775     -0.390396      2.008857
  H      -2.145577     -1.541162      3.364365
  H      -0.747371     -3.503219      3.366259
  H       1.280537     -4.642616      2.483507
  H       2.689588     -4.020498     -0.911830
  H       2.684206     -5.136409      0.493604
  H       1.278432     -1.993093     -0.912240
  H      -0.731136     -0.846646     -0.016421
  H      -8.865398     -5.106516      5.469390
  H      -8.245161     -6.524419      4.600437
  H      -7.381120     -5.913786      6.034387
  H      -6.872309     -3.782702      4.851501
  H      -7.200937     -3.640458      2.382311
  H      -8.297339     -5.040606      2.452548
  H     -10.611190     -4.736943      3.198240
  H     -12.429201     -3.210596      3.919123
  H     -11.992804      0.449122      4.435706
  H     -13.187316     -0.876762      4.236543
  H      -9.565897     -0.031278      4.407799
  H      -7.748468     -1.560660      3.684892
  H      -0.187110     -3.816381      7.227633
  H       0.086412     -4.238870      5.522406
  H      -0.325804     -5.505896      6.701443
  H      -2.121623     -3.131516      5.939258
  H      -3.856387     -3.980849      7.199196
  H      -2.427744     -4.017248      8.261992
  H      -1.438831     -6.278972      8.900148
  H      -1.807319     -8.721492      9.108188
  H      -4.848526    -10.490056      7.945276
  H      -3.315750    -10.638949      8.869079
  H      -5.350744     -8.395543      6.680505
  H      -4.963105     -5.957093      6.447614
  N      -4.612042     -2.840152      4.837471
  N      -5.061144     -1.819907      5.517840
  H      -5.271765     -0.932676      5.051492
  H      -5.455714     -1.956168      6.449510
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.854254318441
  N      -3.511185     -3.548010      2.072568
  C      -3.063307     -4.460103      1.016295
  C      -2.592699     -5.762623      1.649209
  N      -3.511312     -6.158723      2.742625
  C      -4.781105     -6.730283      2.238633
  C      -5.878040     -6.577420      3.285001
  N      -5.827036     -5.239862      3.863113
  Mo     -4.055773     -4.264549      3.832426
  N      -2.512239     -4.900036      4.939693
  C      -1.910988     -6.193432      4.619163
  C      -2.861528     -7.016070      3.760593
  H      -1.693002     -6.788235      5.522722
  H      -0.939911     -6.066017      4.095561
  H      -3.657866     -7.416686      4.401299
  H      -2.337872     -7.868718      3.288123
  H      -6.842410     -6.770277      2.780588
  H      -5.783018     -7.369548      4.057124
  H      -5.060162     -6.153641      1.345473
  H      -4.642346     -7.786460      1.939460
  H      -2.217699     -4.043536      0.443832
  H      -3.869450     -4.655161      0.280266
  H      -1.606175     -5.595140      2.101278
  H      -2.496512     -6.569527      0.898830
  C      -3.771489     -1.773372      0.311881
  C      -3.460040     -2.108857      1.772982
  C      -2.129408     -1.461839      2.266941
  C      -0.880617     -2.101713      1.733539
  C      -0.287353     -3.172212      2.424254
  C       0.838412     -3.817870      1.916825
  C       1.409394     -3.409963      0.702899
  C       2.620216     -4.092242      0.162694
  Cl      4.166817     -3.318408      0.778344
  C       0.830444     -2.332539      0.016510
  C      -0.295808     -1.688147      0.525883
  C      -7.953960     -5.605011      5.129811
  C      -7.107526     -4.668243      4.260962
  C      -7.906878     -4.153744      3.021635
  C      -9.042435     -3.247482      3.392861
  C     -10.371962     -3.695801      3.440948
  C     -11.403976     -2.848010      3.839488
  C     -11.138550     -1.519978      4.205055
  C     -12.237946     -0.615395      4.638664
  Cl    -12.502664     -0.688096      6.462123
  C      -9.811480     -1.064639      4.158764
  C      -8.783578     -1.913865      3.758524
  C      -0.509400     -4.480964      6.402744
  C      -1.993109     -4.215687      6.130867
  C      -2.878055     -4.493108      7.392857
  C      -3.145531     -5.946651      7.646473
  C      -2.274989     -6.747515      8.403162
  C      -2.489853     -8.119780      8.529606
  C      -3.590820     -8.730730      7.911845
  C      -3.795703    -10.203643      8.004286
  Cl     -3.043120    -11.071610      6.567695
  C      -4.486873     -7.928973      7.191033
  C      -4.267495     -6.559648      7.062026
  H      -4.726799     -2.226747      0.009170
  H      -3.856615     -0.683652      0.189897
  H      -2.991610     -2.125238     -0.378471
  H      -4.245246     -1.641249      2.387080
  H      -2.150387     -0.390254      2.008446
  H      -2.134351     -1.540491      3.365035
  H      -0.737232     -3.506628      3.362437
  H       1.286629     -4.646952      2.471207
  H       2.683928     -4.024607     -0.928854
  H       2.683647     -5.139770      0.477276
  H       1.274565     -1.995574     -0.923597
  H      -0.731552     -0.848171     -0.020462
  H      -8.871285     -5.097008      5.460782
  H      -8.255098     -6.510834      4.581368
  H      -7.391590     -5.916399      6.022618
  H      -6.872969     -3.776726      4.860753
  H      -7.183579     -3.609754      2.394004
  H      -8.277613     -5.013478      2.439625
  H     -10.597434     -4.726125      3.154203
  H     -12.432915     -3.215785      3.867802
  H     -12.021072      0.438257      4.432578
  H     -13.205626     -0.892447      4.206803
  H      -9.590379     -0.030936      4.437235
  H      -7.755453     -1.543676      3.718858
  H      -0.164208     -3.837861      7.225343
  H       0.099328     -4.251013      5.515704
  H      -0.312669     -5.523711      6.689056
  H      -2.098674     -3.135534      5.947972
  H      -3.833793     -3.979569      7.210894
  H      -2.398453     -4.022654      8.266287
  H      -1.412847     -6.289728      8.894380
  H      -1.792569     -8.730414      9.108855
  H      -4.854371    -10.483958      7.977154
  H      -3.312800    -10.640731      8.884883
  H      -5.360165     -8.386948      6.718328
  H      -4.961236     -5.951062      6.477895
  N      -4.602711     -2.848050      4.861296
  N      -5.056380     -1.831123      5.548207
  H      -5.312517     -0.964487      5.064354
  H      -5.529561     -2.000661      6.437298
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.854513668437
  N      -3.511650     -3.543874      2.081873
  C      -3.063687     -4.456727      1.023876
  C      -2.596222     -5.759537      1.657059
  N      -3.514571     -6.150306      2.753754
  C      -4.783608     -6.724612      2.249776
  C      -5.879110     -6.567836      3.295553
  N      -5.827011     -5.227119      3.870928
  Mo     -4.053289     -4.253225      3.847480
  N      -2.503050     -4.888741      4.950791
  C      -1.906582     -6.185138      4.624948
  C      -2.860954     -7.007900      3.770971
  H      -1.688413     -6.781602      5.527135
  H      -0.937532     -6.059090      4.098430
  H      -3.655336     -7.408247      4.414241
  H      -2.339081     -7.859867      3.295849
  H      -6.843374     -6.761699      2.792037
  H      -5.783199     -7.355028      4.071858
  H      -5.060984     -6.149024      1.355435
  H      -4.644823     -7.781526      1.954512
  H      -2.215228     -4.041639      0.454933
  H      -3.869587     -4.647419      0.287108
  H      -1.608722     -5.595320      2.108015
  H      -2.505519     -6.568089      0.908254
  C      -3.774090     -1.772820      0.317845
  C      -3.457116     -2.105278      1.778412
  C      -2.123099     -1.461021      2.265991
  C      -0.877156     -2.105063      1.730225
  C      -0.283667     -3.176918      2.419487
  C       0.838878     -3.824815      1.907767
  C       1.406496     -3.418464      0.691435
  C       2.613639     -4.104244      0.147210
  Cl      4.165977     -3.334726      0.754290
  C       0.827817     -2.339899      0.007094
  C      -0.295356     -1.693121      0.520697
  C      -7.960062     -5.592696      5.126233
  C      -7.110527     -4.655432      4.261619
  C      -7.901331     -4.138200      3.018955
  C      -9.042027     -3.236131      3.385192
  C     -10.369517     -3.691563      3.422531
  C     -11.408704     -2.850715      3.817409
  C     -11.152135     -1.523243      4.190278
  C     -12.259327     -0.625588      4.620004
  Cl    -12.533826     -0.701776      6.440981
  C      -9.827301     -1.060546      4.154946
  C      -8.792168     -1.902847      3.757882
  C      -0.493999     -4.482330      6.406453
  C      -1.979661     -4.214627      6.145470
  C      -2.857422     -4.500142      7.410407
  C      -3.129162     -5.954216      7.655231
  C      -2.256835     -6.763044      8.401273
  C      -2.475800     -8.135343      8.521795
  C      -3.583550     -8.738471      7.908834
  C      -3.794393    -10.210830      7.994724
  Cl     -3.055919    -11.076664      6.548638
  C      -4.481671     -7.928925      7.198828
  C      -4.258137     -6.559830      7.075852
  H      -4.732701     -2.222749      0.020639
  H      -3.855178     -0.682895      0.194539
  H      -2.998958     -2.129948     -0.375036
  H      -4.238390     -1.633383      2.394463
  H      -2.143565     -0.390839      2.001925
  H      -2.123716     -1.535376      3.364323
  H      -0.729961     -3.510398      3.359788
  H       1.287513     -4.654819      2.460380
  H       2.672192     -4.038718     -0.944755
  H       2.674469     -5.151532      0.463142
  H       1.269363     -2.003868     -0.934518
  H      -0.731331     -0.852658     -0.024703
  H      -8.874520     -5.081852      5.461095
  H      -8.265855     -6.494579      4.574114
  H      -7.396717     -5.910085      6.016205
  H      -6.878025     -3.765240      4.864809
  H      -7.174440     -3.592336      2.397430
  H      -8.268010     -4.997518      2.433799
  H     -10.587256     -4.722107      3.130747
  H     -12.435922     -3.223774      3.836600
  H     -12.047119      0.429292      4.415110
  H     -13.222179     -0.907932      4.180789
  H      -9.613825     -0.026987      4.439669
  H      -7.765527     -1.527441      3.726697
  H      -0.144604     -3.843743      7.230897
  H       0.109135     -4.246583      5.517100
  H      -0.295028     -5.526538      6.685422
  H      -2.084483     -3.132924      5.970945
  H      -3.811589     -3.979541      7.241508
  H      -2.364649     -4.040100      8.281873
  H      -1.388987     -6.311446      8.888120
  H      -1.776878     -8.751743      9.092823
  H      -4.854659    -10.485597      7.973495
  H      -3.308300    -10.654344      8.870339
  H      -5.360397     -8.380956      6.730522
  H      -4.954514     -5.944956      6.501463
  N      -4.597483     -2.848345      4.879603
  N      -5.050632     -1.827459      5.569845
  H      -5.359549     -0.991666      5.059116
  H      -5.595674     -2.024774      6.412629
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.854640572864
  N      -3.513601     -3.544478      2.093090
  C      -3.068307     -4.456771      1.033341
  C      -2.603193     -5.761319      1.664190
  N      -3.519937     -6.148258      2.763808
  C      -4.787918     -6.724493      2.260726
  C      -5.882238     -6.564117      3.306262
  N      -5.828416     -5.221299      3.876611
  Mo     -4.052270     -4.251527      3.861739
  N      -2.496469     -4.888794      4.958805
  C      -1.906060     -6.187160      4.629013
  C      -2.864289     -7.007748      3.778078
  H      -1.687195     -6.784340      5.530426
  H      -0.938761     -6.062329      4.099548
  H      -3.657481     -7.408090      4.422390
  H      -2.344501     -7.858763      3.299195
  H      -6.847448     -6.757937      2.805078
  H      -5.785595     -7.346820      4.086731
  H      -5.063957     -6.150855      1.364876
  H      -4.648029     -7.782156      1.969464
  H      -2.218924     -4.041652      0.465993
  H      -3.875575     -4.642865      0.297244
  H      -1.613854     -5.601580      2.112076
  H      -2.519758     -6.570850      0.915838
  C      -3.782504     -1.775574      0.328236
  C      -3.459356     -2.106746      1.787653
  C      -2.124218     -1.460425      2.269531
  C      -0.878941     -2.102287      1.730489
  C      -0.279907     -3.171095      2.418950
  C       0.841614     -3.816721      1.903158
  C       1.402840     -3.411160      0.683750
  C       2.608273     -4.096137      0.134991
  Cl      4.162222     -3.323001      0.731885
  C       0.819073     -2.334921      0.000728
  C      -0.303155     -1.690416      0.518487
  C      -7.965738     -5.580184      5.126887
  C      -7.112931     -4.647641      4.260614
  C      -7.898532     -4.134043      3.013678
  C      -9.040571     -3.231357      3.374033
  C     -10.366942     -3.689338      3.410746
  C     -11.408248     -2.849519      3.801130
  C     -11.154809     -1.520470      4.169535
  C     -12.264525     -0.623218      4.594179
  Cl    -12.539601     -0.690429      6.414208
  C      -9.831212     -1.055156      4.134531
  C      -8.793996     -1.896588      3.742063
  C      -0.479118     -4.489169      6.403969
  C      -1.966658     -4.221193      6.152963
  C      -2.836829     -4.510506      7.422316
  C      -3.113095     -5.963983      7.662181
  C      -2.240521     -6.778816      8.400768
  C      -2.464322     -8.150240      8.518133
  C      -3.577319     -8.746736      7.908843
  C      -3.795041    -10.218050      7.992563
  Cl     -3.066618    -11.085510      6.542627
  C      -4.475399     -7.931154      7.205869
  C      -4.247217     -6.562881      7.086592
  H      -4.742060     -2.225713      0.035483
  H      -3.864367     -0.685936      0.205070
  H      -3.010358     -2.132934     -0.367388
  H      -4.238204     -1.634212      2.406369
  H      -2.147840     -0.391301      2.002261
  H      -2.120544     -1.531770      3.367857
  H      -0.720693     -3.504211      3.361756
  H       1.294698     -4.644785      2.454549
  H       2.660933     -4.033274     -0.957298
  H       2.672026     -5.142432      0.453177
  H       1.255629     -1.998894     -0.942893
  H      -0.743324     -0.851883     -0.026026
  H      -8.876680     -5.064470      5.462894
  H      -8.277022     -6.480717      4.576302
  H      -7.401875     -5.898900      6.015671
  H      -6.881164     -3.755666      4.861712
  H      -7.169703     -3.590840      2.392513
  H      -8.264464     -4.994991      2.430859
  H     -10.581911     -4.721168      3.122492
  H     -12.434404     -3.224701      3.819745
  H     -12.054578      0.430706      4.382700
  H     -13.225737     -0.910422      4.154752
  H      -9.620417     -0.020367      4.415653
  H      -7.768381     -1.519026      3.710582
  H      -0.125074     -3.851239      7.226645
  H       0.117773     -4.252070      5.511224
  H      -0.278041     -5.533247      6.680794
  H      -2.072362     -3.138836      5.982891
  H      -3.789389     -3.983514      7.266225
  H      -2.332680     -4.058722      8.291406
  H      -1.368797     -6.332292      8.884828
  H      -1.765527     -8.770924      9.084138
  H      -4.856610    -10.487438      7.974872
  H      -3.308033    -10.665599      8.865444
  H      -5.357922     -8.378204      6.740523
  H      -4.944039     -5.942883      6.518580
  N      -4.596465     -2.852478      4.898471
  N      -5.045076     -1.826648      5.593805
  H      -5.363210     -1.001716      5.068096
  H      -5.647664     -2.038958      6.394208
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.854711565376
  N      -3.519181     -3.546009      2.109954
  C      -3.074565     -4.458806      1.050745
  C      -2.608495     -5.763132      1.680831
  N      -3.522915     -6.146593      2.784163
  C      -4.787005     -6.730856      2.280649
  C      -5.882890     -6.566094      3.322901
  N      -5.831722     -5.218599      3.882137
  Mo     -4.054706     -4.254218      3.880654
  N      -2.494065     -4.886219      4.975446
  C      -1.905395     -6.185080      4.644523
  C      -2.863210     -7.006551      3.795457
  H      -1.685965     -6.780452      5.546904
  H      -0.939066     -6.058419      4.114201
  H      -3.654839     -7.410720      4.438931
  H      -2.341528     -7.853649      3.311907
  H      -6.848359     -6.763824      2.824331
  H      -5.784276     -7.340264      4.111363
  H      -5.060640     -6.163826      1.380060
  H      -4.640432     -7.789874      1.998572
  H      -2.225020     -4.042075      0.484840
  H      -3.882597     -4.643162      0.315294
  H      -1.617348     -5.605964      2.124980
  H      -2.532330     -6.575052      0.934531
  C      -3.795750     -1.781375      0.342779
  C      -3.465983     -2.110169      1.801147
  C      -2.129905     -1.460369      2.276100
  C      -0.885663     -2.098220      1.731384
  C      -0.280735     -3.165835      2.415471
  C       0.838624     -3.808384      1.892503
  C       1.392051     -3.400954      0.670359
  C       2.594137     -4.085110      0.113624
  Cl      4.151262     -3.311945      0.700161
  C       0.802987     -2.324911     -0.007729
  C      -0.317258     -1.683611      0.517306
  C      -7.969994     -5.568361      5.134214
  C      -7.118496     -4.644794      4.257348
  C      -7.903954     -4.147327      3.004205
  C      -9.042828     -3.237138      3.356100
  C     -10.368716     -3.694045      3.409072
  C     -11.406862     -2.848136      3.793429
  C     -11.150534     -1.513695      4.138669
  C     -12.257107     -0.609054      4.556723
  Cl    -12.519645     -0.646759      6.377695
  C      -9.827548     -1.049444      4.086796
  C      -8.793525     -1.897175      3.700757
  C      -0.472029     -4.483813      6.412479
  C      -1.962473     -4.223456      6.169487
  C      -2.824121     -4.523770      7.442031
  C      -3.102737     -5.978284      7.668632
  C      -2.230350     -6.800631      8.398341
  C      -2.455747     -8.172210      8.504658
  C      -3.569985     -8.761780      7.891717
  C      -3.791621    -10.232844      7.965509
  Cl     -3.064814    -11.093524      6.511371
  C      -4.467285     -7.939037      7.196405
  C      -4.237911     -6.570376      7.089082
  H      -4.754386     -2.235181      0.053853
  H      -3.882397     -0.692345      0.219735
  H      -3.024879     -2.135886     -0.355271
  H      -4.242196     -1.637070      2.422894
  H      -2.158290     -0.392245      2.005936
  H      -2.120670     -1.529048      3.374335
  H      -0.714911     -3.500835      3.360387
  H       1.296538     -4.636228      2.439751
  H       2.639539     -4.022159     -0.978857
  H       2.659902     -5.131340      0.431182
  H       1.233438     -1.986500     -0.952986
  H      -0.761879     -0.845309     -0.023460
  H      -8.877266     -5.047118      5.470626
  H      -8.286825     -6.471679      4.592071
  H      -7.402490     -5.881147      6.022298
  H      -6.888927     -3.745468      4.848453
  H      -7.175825     -3.614766      2.373579
  H      -8.274867     -5.014620      2.434573
  H     -10.585957     -4.729987      3.138823
  H     -12.432510     -3.223042      3.824966
  H     -12.047797      0.440677      4.325116
  H     -13.220547     -0.902873      4.126796
  H      -9.614480     -0.010570      4.349447
  H      -7.768420     -1.520214      3.656017
  H      -0.117214     -3.842601      7.231921
  H       0.118455     -4.245085      5.516427
  H      -0.264514     -5.526101      6.690452
  H      -2.075810     -3.140929      6.004804
  H      -3.775725     -3.990322      7.304851
  H      -2.307875     -4.085542      8.310909
  H      -1.357812     -6.359211      8.885088
  H      -1.757611     -8.798105      9.065192
  H      -4.853779    -10.499173      7.945373
  H      -3.306681    -10.687416      8.835743
  H      -5.350282     -8.381435      6.728172
  H      -4.934721     -5.943970      6.528435
  N      -4.600446     -2.852809      4.911080
  N      -5.027343     -1.816496      5.614749
  H      -5.306802     -0.969042      5.100053
  H      -5.635302     -2.012375      6.417046
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.854814881376
  N      -3.518181     -3.550995      2.121517
  C      -3.075438     -4.461376      1.061740
  C      -2.607197     -5.766396      1.689695
  N      -3.519617     -6.151351      2.793467
  C      -4.784120     -6.736188      2.293013
  C      -5.880491     -6.569506      3.335851
  N      -5.828769     -5.221319      3.888463
  Mo     -4.051545     -4.258574      3.891979
  N      -2.487409     -4.891761      4.979479
  C      -1.900235     -6.189631      4.651294
  C      -2.860610     -7.010214      3.804280
  H      -1.677750     -6.782412      5.554888
  H      -0.934392     -6.064644      4.118299
  H      -3.652022     -7.412199      4.449562
  H      -2.340903     -7.859608      3.321934
  H      -6.847131     -6.768140      2.839485
  H      -5.781850     -7.343043      4.125611
  H      -5.060339     -6.172495      1.391040
  H      -4.636562     -7.795827      2.012375
  H      -2.228999     -4.042008      0.492757
  H      -3.885304     -4.647245      0.328031
  H      -1.614547     -5.608673      2.130512
  H      -2.531993     -6.577951      0.942507
  C      -3.806457     -1.782536      0.359369
  C      -3.470718     -2.114676      1.815726
  C      -2.133727     -1.463210      2.286482
  C      -0.891796     -2.097834      1.733621
  C      -0.285031     -3.167837      2.411218
  C       0.831882     -3.809316      1.882000
  C       1.380931     -3.397659      0.659667
  C       2.580771     -4.079940      0.095912
  Cl      4.138213     -3.306601      0.679678
  C       0.789545     -2.318940     -0.012533
  C      -0.328352     -1.679099      0.518585
  C      -7.968942     -5.557141      5.142542
  C      -7.113033     -4.641429      4.260753
  C      -7.897849     -4.149812      3.004237
  C      -9.037689     -3.238905      3.350660
  C     -10.364213     -3.693976      3.401856
  C     -11.402223     -2.845338      3.779990
  C     -11.145645     -1.509444      4.120083
  C     -12.252301     -0.602068      4.531410
  Cl    -12.516352     -0.631415      6.352144
  C      -9.821940     -1.047234      4.069580
  C      -8.788093     -1.897759      3.690175
  C      -0.465815     -4.483427      6.417143
  C      -1.955676     -4.224714      6.170656
  C      -2.818697     -4.522556      7.443381
  C      -3.099376     -5.976878      7.667375
  C      -2.229717     -6.802175      8.397077
  C      -2.457264     -8.173460      8.498396
  C      -3.569816     -8.760195      7.879338
  C      -3.792753    -10.231309      7.948317
  Cl     -3.058641    -11.086734      6.495702
  C      -4.463428     -7.934803      7.183053
  C      -4.232317     -6.565921      7.081115
  H      -4.765939     -2.236794      0.073735
  H      -3.894557     -0.693512      0.238042
  H      -3.038045     -2.134894     -0.342534
  H      -4.245644     -1.644908      2.441567
  H      -2.164025     -0.393656      2.022003
  H      -2.119772     -1.535955      3.384496
  H      -0.716806     -3.506336      3.355965
  H       1.291207     -4.639511      2.424607
  H       2.622457     -4.013169     -0.996512
  H       2.649327     -5.127109      0.409797
  H       1.216519     -1.977378     -0.958317
  H      -0.774529     -0.838393     -0.017237
  H      -8.875325     -5.031501      5.473877
  H      -8.287727     -6.463148      4.605855
  H      -7.404135     -5.865829      6.033825
  H      -6.881873     -3.738930      4.845945
  H      -7.169584     -3.618391      2.372553
  H      -8.265985     -5.019442      2.436252
  H     -10.582145     -4.730594      3.134628
  H     -12.428371     -3.219075      3.810819
  H     -12.042461      0.446608      4.295555
  H     -13.215776     -0.897483      4.102601
  H      -9.608119     -0.007332      4.327698
  H      -7.762752     -1.521521      3.645561
  H      -0.112271     -3.840588      7.235709
  H       0.125972     -4.246494      5.521488
  H      -0.258754     -5.525226      6.697817
  H      -2.070559     -3.142715      6.003582
  H      -3.769512     -3.988140      7.304398
  H      -2.306438     -4.084637      8.315007
  H      -1.358747     -6.363016      8.888785
  H      -1.761702     -8.801835      9.059519
  H      -4.854750    -10.497750      7.921912
  H      -3.311593    -10.688902      8.819090
  H      -5.344505     -8.375219      6.709260
  H      -4.925708     -5.936862      6.519140
  N      -4.598982     -2.861066      4.935845
  N      -5.024238     -1.825490      5.643357
  H      -5.292375     -0.979552      5.122334
  H      -5.670485     -2.029904      6.411243
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.854889533593
  N      -3.521560     -3.553857      2.121205
  C      -3.079828     -4.461513      1.058786
  C      -2.609460     -5.767536      1.683270
  N      -3.520145     -6.155531      2.787694
  C      -4.784798     -6.741422      2.287077
  C      -5.881946     -6.574242      3.329567
  N      -5.830879     -5.225056      3.879683
  Mo     -4.053048     -4.265270      3.890476
  N      -2.485972     -4.899618      4.973105
  C      -1.897542     -6.196306      4.642755
  C      -2.859027     -7.016069      3.795926
  H      -1.671697     -6.789540      5.545159
  H      -0.932882     -6.070035      4.107627
  H      -3.648839     -7.419735      4.442178
  H      -2.339869     -7.864552      3.311407
  H      -6.848687     -6.774366      2.833999
  H      -5.782610     -7.347232      4.119755
  H      -5.061812     -6.179096      1.384510
  H      -4.636107     -7.801018      2.007006
  H      -2.235557     -4.040121      0.488100
  H      -3.890956     -4.647730      0.326369
  H      -1.615993     -5.610035      2.122355
  H      -2.534940     -6.577374      0.934261
  C      -3.812979     -1.782276      0.363109
  C      -3.477412     -2.116773      1.818995
  C      -2.141815     -1.463263      2.291813
  C      -0.898076     -2.095223      1.739752
  C      -0.289328     -3.163828      2.418094
  C       0.830107     -3.802441      1.890289
  C       1.379760     -3.388985      0.668823
  C       2.582853     -4.067186      0.106868
  Cl      4.136443     -3.287969      0.693209
  C       0.786367     -2.311662     -0.004078
  C      -0.333933     -1.674669      0.525506
  C      -7.968008     -5.559589      5.137726
  C      -7.114293     -4.644271      4.253130
  C      -7.902312     -4.155388      2.997464
  C      -9.040113     -3.242286      3.344951
  C     -10.367403     -3.694660      3.400755
  C     -11.402815     -2.842968      3.779512
  C     -11.142893     -1.506719      4.115826
  C     -12.246834     -0.596441      4.528189
  Cl    -12.505690     -0.621922      6.349665
  C      -9.818356     -1.047248      4.060773
  C      -8.787052     -1.900771      3.680776
  C      -0.459306     -4.489135      6.401677
  C      -1.949875     -4.229617      6.160989
  C      -2.806426     -4.522162      7.440160
  C      -3.091943     -5.974813      7.669713
  C      -2.220638     -6.802861      8.394588
  C      -2.454450     -8.172836      8.500680
  C      -3.575433     -8.755158      7.892369
  C      -3.804192    -10.225291      7.964817
  Cl     -3.085631    -11.084693      6.506778
  C      -4.471054     -7.926570      7.202501
  C      -4.233250     -6.559172      7.094907
  H      -4.771100     -2.238583      0.075932
  H      -3.903796     -0.693245      0.243536
  H      -3.043060     -2.131362     -0.338847
  H      -4.253557     -1.649921      2.445443
  H      -2.173638     -0.393269      2.029279
  H      -2.128953     -1.537469      3.389799
  H      -0.721032     -3.502992      3.362718
  H       1.291217     -4.631214      2.433619
  H       2.626004     -4.000237     -0.985505
  H       2.654812     -5.114115      0.420796
  H       1.213851     -1.968722     -0.949180
  H      -0.781289     -0.834774     -0.010663
  H      -8.874432     -5.034398      5.469920
  H      -8.286761     -6.466620      4.602585
  H      -7.401460     -5.866874      6.028576
  H      -6.882459     -3.740560      4.835912
  H      -7.175587     -3.625629      2.362530
  H      -8.272322     -5.025922      2.432083
  H     -10.588191     -4.731450      3.136432
  H     -12.429629     -3.214652      3.814113
  H     -12.035783      0.451432      4.289773
  H     -13.212123     -0.890907      4.102813
  H      -9.601707     -0.007141      4.315863
  H      -7.761111     -1.526500      3.632724
  H      -0.100963     -3.843526      7.215970
  H       0.128709     -4.256822      5.502167
  H      -0.252652     -5.530205      6.685632
  H      -2.064736     -3.148000      5.991713
  H      -3.756035     -3.984231      7.306478
  H      -2.287795     -4.084457      8.308077
  H      -1.343229     -6.367060      8.877822
  H      -1.757170     -8.803736      9.056894
  H      -4.867493    -10.487279      7.947467
  H      -3.317643    -10.684174      8.831930
  H      -5.358819     -8.363252      6.737695
  H      -4.928345     -5.927674      6.537758
  N      -4.594917     -2.870734      4.941700
  N      -5.006862     -1.834468      5.654706
  H      -5.272424     -0.986726      5.136598
  H      -5.648015     -2.037972      6.426299
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.855093422955
  N      -3.529108     -3.567791      2.137673
  C      -3.083814     -4.472164      1.074179
  C      -2.607150     -5.776212      1.697912
  N      -3.517646     -6.167955      2.802209
  C      -4.779394     -6.761449      2.297255
  C      -5.884603     -6.586067      3.331049
  N      -5.839753     -5.229524      3.863354
  Mo     -4.060350     -4.279934      3.906520
  N      -2.484580     -4.909046      4.981793
  C      -1.891270     -6.204005      4.653923
  C      -2.853544     -7.027075      3.810407
  H      -1.659313     -6.793455      5.557180
  H      -0.928129     -6.077187      4.115499
  H      -3.641027     -7.431819      4.459444
  H      -2.334507     -7.875746      3.325995
  H      -6.848903     -6.795588      2.834525
  H      -5.786179     -7.350638      4.129428
  H      -5.053026     -6.209392      1.387335
  H      -4.624521     -7.822690      2.027459
  H      -2.243856     -4.046253      0.500447
  H      -3.894953     -4.664793      0.342895
  H      -1.613536     -5.615404      2.135873
  H      -2.530319     -6.585381      0.948599
  C      -3.835447     -1.794356      0.384326
  C      -3.495420     -2.129687      1.839060
  C      -2.161624     -1.470085      2.310053
  C      -0.916903     -2.092546      1.748702
  C      -0.301534     -3.164770      2.416321
  C       0.819566     -3.794416      1.879922
  C       1.364098     -3.367860      0.660504
  C       2.569862     -4.034468      0.089946
  Cl      4.120225     -3.248865      0.677480
  C       0.763915     -2.287330     -0.001857
  C      -0.357904     -1.659364      0.535937
  C      -7.971244     -5.551883      5.131736
  C      -7.122362     -4.644482      4.233789
  C      -7.917182     -4.172074      2.976308
  C      -9.047902     -3.248230      3.319665
  C     -10.378137     -3.690162      3.390735
  C     -11.404776     -2.825679      3.765993
  C     -11.132963     -1.487143      4.083976
  C     -12.227644     -0.564244      4.493869
  Cl    -12.471863     -0.566624      6.317340
  C      -9.805318     -1.038135      4.013649
  C      -8.782640     -1.904244      3.637189
  C      -0.455305     -4.481941      6.399639
  C      -1.948496     -4.231021      6.165906
  C      -2.792217     -4.525567      7.454759
  C      -3.080657     -5.978625      7.680702
  C      -2.203103     -6.814584      8.389770
  C      -2.440128     -8.184905      8.488835
  C      -3.570934     -8.759449      7.890441
  C      -3.800632    -10.230085      7.950900
  Cl     -3.098605    -11.074149      6.475429
  C      -4.473409     -7.923090      7.219087
  C      -4.231983     -6.555399      7.117347
  H      -4.790926     -2.257235      0.097724
  H      -3.933933     -0.705645      0.265712
  H      -3.063760     -2.137317     -0.319118
  H      -4.272655     -1.668088      2.468030
  H      -2.200503     -0.398224      2.055521
  H      -2.143836     -1.551074      3.407736
  H      -0.728878     -3.513653      3.359616
  H       1.286180     -4.625689      2.415163
  H       2.609146     -3.959387     -1.002184
  H       2.649694     -5.083312      0.395861
  H       1.187316     -1.934518     -0.945473
  H      -0.810221     -0.816658      0.007916
  H      -8.877762     -5.025102      5.462462
  H      -8.290192     -6.465116      4.606715
  H      -7.400479     -5.849604      6.023551
  H      -6.889319     -3.733140      4.803625
  H      -7.193753     -3.652972      2.328604
  H      -8.293635     -5.048796      2.424675
  H     -10.608720     -4.728702      3.141040
  H     -12.434216     -3.189403      3.813210
  H     -12.011443      0.479382      4.241162
  H     -13.198439     -0.856963      4.079689
  H      -9.578832      0.003592      4.254335
  H      -7.754189     -1.537758      3.577752
  H      -0.094708     -3.829217      7.207462
  H       0.127161     -4.253998      5.494861
  H      -0.243345     -5.520567      6.689894
  H      -2.071612     -3.150556      5.995690
  H      -3.741263     -3.982932      7.336469
  H      -2.263112     -4.094283      8.319620
  H      -1.317497     -6.384780      8.863827
  H      -1.737185     -8.822383      9.030751
  H      -4.864412    -10.491075      7.942680
  H      -3.304762    -10.698394      8.807801
  H      -5.369127     -8.353727      6.763407
  H      -4.933011     -5.917450      6.575009
  N      -4.586612     -2.895714      4.972091
  N      -4.949559     -1.848783      5.696453
  H      -5.179508     -0.989720      5.181311
  H      -5.600577     -2.037553      6.462690
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.855291396691
  N      -3.536974     -3.583364      2.145350
  C      -3.087335     -4.486287      1.082805
  C      -2.606391     -5.787669      1.708471
  N      -3.518194     -6.180401      2.811876
  C      -4.776519     -6.780118      2.302625
  C      -5.889333     -6.594765      3.326787
  N      -5.849916     -5.230982      3.840224
  Mo     -4.068817     -4.293023      3.915434
  N      -2.483533     -4.915421      4.984645
  C      -1.888586     -6.210068      4.659395
  C      -2.852731     -7.036891      3.821168
  H      -1.652227     -6.795891      5.563723
  H      -0.927220     -6.084332      4.117488
  H      -3.638828     -7.439782      4.473106
  H      -2.334952     -7.887087      3.338098
  H      -6.850848     -6.813435      2.828738
  H      -5.792364     -7.348705      4.135309
  H      -5.044032     -6.237734      1.385224
  H      -4.617521     -7.843425      2.044608
  H      -2.249899     -4.057677      0.507448
  H      -3.897791     -4.684580      0.352105
  H      -1.613839     -5.623782      2.147395
  H      -2.526638     -6.597434      0.960206
  C      -3.856352     -1.815590      0.389679
  C      -3.514754     -2.145590      1.845244
  C      -2.186413     -1.474557      2.316058
  C      -0.936404     -2.087536      1.756143
  C      -0.312765     -3.154343      2.424969
  C       0.813771     -3.775307      1.889590
  C       1.355711     -3.344913      0.670311
  C       2.567401     -4.001640      0.100784
  Cl      4.110796     -3.200782      0.686578
  C       0.747506     -2.269453      0.007088
  C      -0.379765     -1.650228      0.543696
  C      -7.972943     -5.545851      5.123893
  C      -7.131853     -4.645034      4.212018
  C      -7.936145     -4.187146      2.955866
  C      -9.058350     -3.253038      3.300361
  C     -10.390736     -3.684758      3.388769
  C     -11.407314     -2.809213      3.766381
  C     -11.122731     -1.469961      4.069373
  C     -12.206783     -0.535661      4.482254
  Cl    -12.431389     -0.519896      6.307720
  C      -9.792784     -1.031157      3.981586
  C      -8.780159     -1.908191      3.602997
  C      -0.451627     -4.476687      6.393061
  C      -1.947408     -4.233403      6.165978
  C      -2.781271     -4.530563      7.461784
  C      -3.071845     -5.983595      7.684667
  C      -2.190995     -6.824473      8.384022
  C      -2.429884     -8.194801      8.478546
  C      -3.566166     -8.764413      7.885767
  C      -3.797016    -10.235119      7.939075
  Cl     -3.104230    -11.070744      6.454038
  C      -4.472652     -7.923168      7.226026
  C      -4.229217     -6.555427      7.128587
  H      -4.807327     -2.287588      0.103024
  H      -3.964180     -0.728065      0.268323
  H      -3.080792     -2.153523     -0.311912
  H      -4.295895     -1.688527      2.472771
  H      -2.234046     -0.403221      2.060909
  H      -2.168318     -1.554494      3.413850
  H      -0.737409     -3.505936      3.368499
  H       1.286746     -4.602482      2.425530
  H       2.605724     -3.928198     -0.991480
  H       2.656819     -5.049170      0.408471
  H       1.168630     -1.913681     -0.936423
  H      -0.838390     -0.811560      0.014725
  H      -8.878641     -5.018564      5.456171
  H      -8.292649     -6.464294      4.608572
  H      -7.395467     -5.834738      6.014230
  H      -6.896256     -3.727359      4.770495
  H      -7.217936     -3.678675      2.294106
  H      -8.321466     -5.068902      2.418723
  H     -10.631401     -4.723847      3.151316
  H     -12.438782     -3.164925      3.827687
  H     -11.986076      0.503989      4.217339
  H     -13.183777     -0.825369      4.080753
  H      -9.556135      0.010911      4.210599
  H      -7.749730     -1.549716      3.530779
  H      -0.089423     -3.818808      7.195972
  H       0.125645     -4.251139      5.484329
  H      -0.234546     -5.513191      6.687156
  H      -2.077236     -3.153939      5.995620
  H      -3.729809     -3.984668      7.356099
  H      -2.243082     -4.104736      8.323640
  H      -1.301053     -6.398324      8.853123
  H      -1.724203     -8.836101      9.012285
  H      -4.861052    -10.495091      7.935541
  H      -3.296588    -10.709031      8.790206
  H      -5.373087     -8.349952      6.776152
  H      -4.934084     -5.913188      6.596375
  N      -4.578712     -2.916716      4.994532
  N      -4.887921     -1.854078      5.724602
  H      -5.051316     -0.978104      5.211390
  H      -5.568155     -2.011447      6.472541
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.855611121809
  N      -3.539975     -3.596744      2.150233
  C      -3.082935     -4.501157      1.092357
  C      -2.599042     -5.797225      1.725702
  N      -3.515217     -6.189070      2.826230
  C      -4.769421     -6.795236      2.311969
  C      -5.892617     -6.593963      3.321239
  N      -5.860173     -5.219933      3.807815
  Mo     -4.076999     -4.298789      3.922978
  N      -2.481226     -4.909631      4.991221
  C      -1.884173     -6.204454      4.670885
  C      -2.849617     -7.038520      3.840723
  H      -1.645017     -6.785870      5.577225
  H      -0.924106     -6.081274      4.126332
  H      -3.635243     -7.435799      4.496794
  H      -2.333228     -7.892802      3.363331
  H      -6.848982     -6.825567      2.818694
  H      -5.799695     -7.331269      4.145303
  H      -5.026086     -6.265430      1.384276
  H      -4.608822     -7.862091      2.071297
  H      -2.245811     -4.072727      0.516424
  H      -3.890783     -4.707194      0.360852
  H      -1.610039     -5.627208      2.169885
  H      -2.511233     -6.609265      0.980755
  C      -3.870053     -1.840271      0.385797
  C      -3.528605     -2.160207      1.843709
  C      -2.206245     -1.477376      2.313639
  C      -0.951238     -2.084342      1.758274
  C      -0.323776     -3.147338      2.429845
  C       0.806852     -3.763435      1.897387
  C       1.349125     -3.331990      0.678434
  C       2.564568     -3.983929      0.111510
  Cl      4.104404     -3.173732      0.695089
  C       0.737301     -2.260292      0.012749
  C      -0.394216     -1.645903      0.546428
  C      -7.966215     -5.530832      5.120909
  C      -7.141997     -4.637083      4.187434
  C      -7.964562     -4.201699      2.936188
  C      -9.079916     -3.260322      3.285704
  C     -10.411837     -3.686571      3.399577
  C     -11.419572     -2.802981      3.783323
  C     -11.125628     -1.461674      4.066361
  C     -12.200186     -0.518913      4.485723
  Cl    -12.395543     -0.481075      6.313826
  C      -9.796099     -1.028086      3.952319
  C      -8.792397     -1.913035      3.568139
  C      -0.457080     -4.463661      6.406465
  C      -1.954474     -4.229317      6.176800
  C      -2.787735     -4.537111      7.471256
  C      -3.076146     -5.992058      7.683396
  C      -2.194715     -6.835559      8.379078
  C      -2.429372     -8.207339      8.463273
  C      -3.562528     -8.775986      7.863869
  C      -3.788648    -10.247738      7.904697
  Cl     -3.088137    -11.069505      6.414640
  C      -4.470894     -7.932569      7.209224
  C      -4.231404     -6.563361      7.122010
  H      -4.816315     -2.321825      0.099428
  H      -3.986600     -0.754282      0.258384
  H      -3.090004     -2.175873     -0.311986
  H      -4.314611     -1.705096      2.466983
  H      -2.261497     -0.407507      2.053746
  H      -2.188704     -1.553413      3.411806
  H      -0.748972     -3.500799      3.372482
  H       1.282228     -4.588157      2.435010
  H       2.602776     -3.913585     -0.980981
  H       2.659091     -5.030094      0.422393
  H       1.158287     -1.903934     -0.930638
  H      -0.856329     -0.810816      0.014743
  H      -8.872566     -5.006366      5.455921
  H      -8.283251     -6.458572      4.620803
  H      -7.376934     -5.803531      6.008488
  H      -6.902625     -3.710861      4.730314
  H      -7.258153     -3.704226      2.253756
  H      -8.358887     -5.091975      2.420142
  H     -10.659650     -4.727651      3.178668
  H     -12.451163     -3.154167      3.865483
  H     -11.980315      0.516751      4.204884
  H     -13.184220     -0.810061      4.102834
  H      -9.552290      0.015684      4.165640
  H      -7.762030     -1.559100      3.476406
  H      -0.100364     -3.805022      7.211342
  H       0.121351     -4.233786      5.499581
  H      -0.234900     -5.499539      6.699193
  H      -2.090995     -3.150177      6.010532
  H      -3.737301     -3.992146      7.371227
  H      -2.248306     -4.117236      8.335219
  H      -1.307046     -6.409913      8.852964
  H      -1.723110     -8.850308      8.994273
  H      -4.851855    -10.511020      7.895460
  H      -3.289729    -10.726834      8.753828
  H      -5.369777     -8.358808      6.755768
  H      -4.938551     -5.918965      6.595209
  N      -4.560330     -2.927975      5.015575
  N      -4.787183     -1.838134      5.739348
  H      -4.861847     -0.951553      5.221719
  H      -5.490545     -1.934160      6.476216
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.855976977049
  N      -3.536151     -3.600755      2.147100
  C      -3.076413     -4.508695      1.094290
  C      -2.595407     -5.801645      1.734990
  N      -3.515873     -6.190570      2.832616
  C      -4.768736     -6.797328      2.317129
  C      -5.898820     -6.577865      3.313549
  N      -5.868507     -5.194720      3.774850
  Mo     -4.081396     -4.294549      3.922462
  N      -2.476514     -4.898124      4.991634
  C      -1.882707     -6.194637      4.673229
  C      -2.851466     -7.033485      3.851854
  H      -1.642466     -6.774198      5.580464
  H      -0.924142     -6.075774      4.125498
  H      -3.637380     -7.422528      4.512409
  H      -2.338540     -7.893190      3.380302
  H      -6.850759     -6.818994      2.806544
  H      -5.811756     -7.298079      4.152993
  H      -5.013870     -6.277338      1.380899
  H      -4.613389     -7.868294      2.092522
  H      -2.236528     -4.084949      0.518852
  H      -3.882820     -4.716938      0.361890
  H      -1.609998     -5.628265      2.185194
  H      -2.501122     -6.615935      0.993146
  C      -3.865939     -1.854062      0.372785
  C      -3.528829     -2.166027      1.833520
  C      -2.211610     -1.476239      2.306083
  C      -0.952236     -2.082848      1.760538
  C      -0.327123     -3.142844      2.438708
  C       0.806704     -3.758927      1.913714
  C       1.354437     -3.331012      0.695871
  C       2.572115     -3.984633      0.136204
  Cl      4.110531     -3.171651      0.720295
  C       0.744950     -2.262346      0.023880
  C      -0.389899     -1.647816      0.550303
  C      -7.949890     -5.503595      5.130002
  C      -7.149414     -4.617648      4.169679
  C      -7.996080     -4.209590      2.926473
  C      -9.112301     -3.270764      3.283133
  C     -10.438587     -3.704555      3.424599
  C     -11.445669     -2.822963      3.815171
  C     -11.155695     -1.476869      4.076276
  C     -12.229391     -0.535667      4.502200
  Cl    -12.393900     -0.475602      6.332107
  C      -9.831931     -1.035378      3.933248
  C      -8.829090     -1.918331      3.542910
  C      -0.459306     -4.458791      6.416618
  C      -1.957228     -4.227334      6.184391
  C      -2.793427     -4.546138      7.473999
  C      -3.081314     -6.002079      7.676161
  C      -2.201622     -6.849045      8.369499
  C      -2.435640     -8.221243      8.446239
  C      -3.567106     -8.787051      7.841501
  C      -3.794012    -10.258688      7.875090
  Cl     -3.090781    -11.075335      6.382875
  C      -4.474503     -7.940328      7.189478
  C      -4.235113     -6.570958      7.109736
  H      -4.808701     -2.340979      0.084569
  H      -3.986728     -0.769202      0.240489
  H      -3.081630     -2.189585     -0.320092
  H      -4.319836     -1.710307      2.450672
  H      -2.269214     -0.408395      2.038675
  H      -2.198522     -1.546747      3.404714
  H      -0.757371     -3.495188      3.379462
  H       1.279688     -4.581850      2.455936
  H       2.613821     -3.919420     -0.956417
  H       2.665987     -5.029169      0.452570
  H       1.169906     -1.908760     -0.918624
  H      -0.850884     -0.815722      0.013140
  H      -8.857384     -4.983885      5.468530
  H      -8.262193     -6.443103      4.649616
  H      -7.345588     -5.754561      6.013657
  H      -6.904978     -3.682129      4.694553
  H      -7.307341     -3.718329      2.222108
  H      -8.393673     -5.110939      2.432998
  H     -10.682938     -4.749976      3.221629
  H     -12.473169     -3.179689      3.919873
  H     -12.020975      0.497547      4.204363
  H     -13.217585     -0.838129      4.139462
  H      -9.591735      0.012540      4.128917
  H      -7.803249     -1.558802      3.428488
  H      -0.106820     -3.805013      7.227289
  H       0.121042     -4.220882      5.513356
  H      -0.234614     -5.496045      6.702101
  H      -2.095358     -3.147167      6.025868
  H      -3.743554     -4.002298      7.374933
  H      -2.254352     -4.131594      8.340674
  H      -1.315565     -6.425420      8.847997
  H      -1.730856     -8.866499      8.976170
  H      -4.857328    -10.521148      7.861923
  H      -3.297689    -10.741913      8.723321
  H      -5.372808     -8.364103      6.732830
  H      -4.942442     -5.923590      6.586810
  N      -4.530758     -2.922609      5.025419
  N      -4.657074     -1.799450      5.725090
  H      -4.633496     -0.917406      5.193378
  H      -5.371005     -1.808411      6.457603
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.856225032830
  N      -3.525483     -3.590270      2.136766
  C      -3.069274     -4.502064      1.086524
  C      -2.594284     -5.795823      1.729730
  N      -3.515554     -6.182774      2.826207
  C      -4.770717     -6.784030      2.314504
  C      -5.898928     -6.561006      3.310907
  N      -5.866173     -5.177542      3.771936
  Mo     -4.077154     -4.280455      3.912594
  N      -2.473909     -4.885063      4.988257
  C      -1.884235     -6.183035      4.668543
  C      -2.852807     -7.022570      3.848087
  H      -1.646753     -6.764496      5.575385
  H      -0.925173     -6.065858      4.121586
  H      -3.640155     -7.408195      4.508808
  H      -2.340236     -7.884454      3.379955
  H      -6.850012     -6.800901      2.801432
  H      -5.814595     -7.279014      4.152311
  H      -5.013789     -6.262222      1.378685
  H      -4.623370     -7.856405      2.090428
  H      -2.225234     -4.084387      0.512573
  H      -3.876002     -4.705761      0.353343
  H      -1.610219     -5.622808      2.182794
  H      -2.498068     -6.610763      0.988658
  C      -3.842522     -1.844643      0.358115
  C      -3.511133     -2.156439      1.820212
  C      -2.193288     -1.471484      2.296425
  C      -0.934991     -2.085510      1.756838
  C      -0.318358     -3.147929      2.438457
  C       0.813430     -3.770838      1.917858
  C       1.367273     -3.348185      0.700994
  C       2.581812     -4.010894      0.145689
  Cl      4.124731     -3.208653      0.732582
  C       0.765937     -2.277384      0.025497
  C      -0.366864     -1.655840      0.547798
  C      -7.935191     -5.490372      5.149140
  C      -7.146690     -4.605849      4.178434
  C      -8.003267     -4.206073      2.939777
  C      -9.126737     -3.277055      3.300203
  C     -10.448004     -3.724087      3.444745
  C     -11.462914     -2.852672      3.837524
  C     -11.185373     -1.503991      4.097432
  C     -12.267159     -0.572838      4.525043
  Cl    -12.429294     -0.513622      6.355114
  C      -9.866701     -1.049193      3.950980
  C      -8.856255     -1.922074      3.558447
  C      -0.464043     -4.461134      6.428726
  C      -1.959964     -4.224852      6.188578
  C      -2.808000     -4.548301      7.467772
  C      -3.094030     -6.004631      7.666958
  C      -2.218348     -6.850304      8.366354
  C      -2.451472     -8.222503      8.442650
  C      -3.578107     -8.789867      7.830814
  C      -3.805703    -10.261202      7.866419
  Cl     -3.096101    -11.082662      6.379976
  C      -4.481193     -7.944472      7.171048
  C      -4.242504     -6.575279      7.092126
  H      -4.786646     -2.327138      0.067508
  H      -3.957985     -0.759359      0.225460
  H      -3.058049     -2.184082     -0.332524
  H      -4.303193     -1.696921      2.433676
  H      -2.244785     -0.404411      2.024944
  H      -2.184310     -1.539597      3.395222
  H      -0.754524     -3.497363      3.377528
  H       1.279655     -4.595780      2.462647
  H       2.627195     -3.947434     -0.946825
  H       2.667376     -5.055506      0.464013
  H       1.195692     -1.927888     -0.916207
  H      -0.821882     -0.822333      0.007932
  H      -8.844496     -4.974517      5.487883
  H      -8.242936     -6.435653      4.677544
  H      -7.325249     -5.729852      6.031944
  H      -6.899849     -3.668028      4.698419
  H      -7.322480     -3.710811      2.230696
  H      -8.396444     -5.111605      2.450648
  H     -10.682218     -4.771912      3.242808
  H     -12.486500     -3.219436      3.944507
  H     -12.068817      0.462178      4.226861
  H     -13.253005     -0.884749      4.164101
  H      -9.636747      0.001036      4.145807
  H      -7.834332     -1.552745      3.441065
  H      -0.116188     -3.815817      7.248065
  H       0.122037     -4.214719      5.531759
  H      -0.241494     -5.501145      6.705117
  H      -2.093023     -3.142982      6.035950
  H      -3.758920     -4.008262      7.355913
  H      -2.278448     -4.131622      8.339274
  H      -1.336312     -6.425686      8.851189
  H      -1.750027     -8.866526      8.978238
  H      -4.869026    -10.523133      7.848410
  H      -3.313899    -10.742749      8.718151
  H      -5.375572     -8.369093      6.707754
  H      -4.946508     -5.928978      6.563475
  N      -4.517408     -2.898134      5.008278
  N      -4.611650     -1.758623      5.685051
  H      -4.577803     -0.886639      5.137123
  H      -5.318714     -1.732796      6.423615
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.856801149305
  N      -3.503451     -3.571886      2.124898
  C      -3.057958     -4.487492      1.075908
  C      -2.595738     -5.787326      1.716544
  N      -3.516597     -6.173314      2.811141
  C      -4.778268     -6.761228      2.308115
  C      -5.902344     -6.528876      3.307127
  N      -5.861651     -5.144389      3.765437
  Mo     -4.068075     -4.259456      3.898908
  N      -2.466289     -4.873211      4.980423
  C      -1.887070     -6.173751      4.655772
  C      -2.857525     -7.010543      3.835004
  H      -1.651966     -6.759172      5.560873
  H      -0.927526     -6.060179      4.108169
  H      -3.647235     -7.391712      4.495599
  H      -2.346624     -7.875921      3.370912
  H      -6.854129     -6.763933      2.796277
  H      -5.823594     -7.243645      4.151490
  H      -5.019929     -6.237159      1.372978
  H      -4.647970     -7.836366      2.084123
  H      -2.207876     -4.079488      0.503310
  H      -3.867422     -4.678944      0.342201
  H      -1.611427     -5.619421      2.171019
  H      -2.500664     -6.600588      0.973194
  C      -3.802660     -1.821659      0.345847
  C      -3.480153     -2.138893      1.808838
  C      -2.160715     -1.462891      2.292361
  C      -0.905614     -2.087435      1.757732
  C      -0.302660     -3.156181      2.440590
  C       0.824980     -3.788939      1.923820
  C       1.387561     -3.370816      0.709681
  C       2.596714     -4.046096      0.158389
  Cl      4.145537     -3.261587      0.752431
  C       0.798956     -2.293999      0.032636
  C      -0.329446     -1.662325      0.551392
  C      -7.902993     -5.451073      5.190058
  C      -7.138674     -4.576436      4.192530
  C      -8.017068     -4.200491      2.962318
  C      -9.157294     -3.293235      3.326763
  C     -10.467658     -3.768402      3.476754
  C     -11.499996     -2.918192      3.869797
  C     -11.250465     -1.563339      4.124327
  C     -12.350527     -0.653594      4.551826
  Cl    -12.508442     -0.592808      6.381573
  C      -9.942668     -1.080619      3.972286
  C      -8.915068     -1.932569      3.579550
  C      -0.464047     -4.477597      6.440004
  C      -1.956110     -4.229726      6.190529
  C      -2.820826     -4.553981      7.456367
  C      -3.109887     -6.008955      7.655733
  C      -2.241063     -6.857665      8.359312
  C      -2.481708     -8.228081      8.437214
  C      -3.608647     -8.791221      7.821983
  C      -3.845559    -10.260727      7.862190
  Cl     -3.141430    -11.092176      6.379523
  C      -4.503338     -7.942716      7.155172
  C      -4.256781     -6.575481      7.074873
  H      -4.749148     -2.295997      0.050252
  H      -3.909664     -0.735333      0.216400
  H      -3.018283     -2.164520     -0.342997
  H      -4.274076     -1.676018      2.418116
  H      -2.201705     -0.395731      2.019868
  H      -2.156993     -1.531321      3.391123
  H      -0.747498     -3.502957      3.376591
  H       1.281016     -4.618541      2.469913
  H       2.647911     -3.981672     -0.933721
  H       2.670129     -5.091689      0.476201
  H       1.235844     -1.947952     -0.906855
  H      -0.774495     -0.823796      0.011263
  H      -8.815469     -4.939895      5.526193
  H      -8.202710     -6.410641      4.743046
  H      -7.282041     -5.661624      6.072499
  H      -6.885594     -3.630776      4.695184
  H      -7.354296     -3.697442      2.241993
  H      -8.398228     -5.116537      2.483734
  H     -10.679547     -4.821526      3.278721
  H     -12.514912     -3.306536      3.981082
  H     -12.174506      0.384505      4.250781
  H     -13.330660     -0.987131      4.194995
  H      -9.735196     -0.025218      4.163178
  H      -7.901784     -1.542027      3.456922
  H      -0.119406     -3.845262      7.270525
  H       0.128682     -4.220849      5.550534
  H      -0.246418     -5.521786      6.703500
  H      -2.078637     -3.144789      6.047131
  H      -3.770674     -4.016348      7.323913
  H      -2.305046     -4.133238      8.334194
  H      -1.359230     -6.437075      8.847762
  H      -1.785745     -8.874556      8.976702
  H      -4.910326    -10.516331      7.844150
  H      -3.356686    -10.742992      8.715079
  H      -5.396652     -8.363072      6.686221
  H      -4.953656     -5.926470      6.540340
  N      -4.481339     -2.862427      4.991326
  N      -4.476354     -1.685551      5.607246
  H      -4.369717     -0.848238      5.016132
  H      -5.188442     -1.554274      6.328702
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.857546328380
  N      -3.477353     -3.540082      2.114421
  C      -3.050145     -4.461286      1.064572
  C      -2.605262     -5.771678      1.697416
  N      -3.522968     -6.156278      2.792406
  C      -4.795082     -6.726536      2.302794
  C      -5.909861     -6.484584      3.311483
  N      -5.856085     -5.099769      3.772347
  Mo     -4.058225     -4.228198      3.883756
  N      -2.463978     -4.858424      4.974046
  C      -1.895203     -6.161342      4.640859
  C      -2.867209     -6.993163      3.816888
  H      -1.661458     -6.751831      5.543075
  H      -0.935168     -6.049876      4.092481
  H      -3.658779     -7.373853      4.476119
  H      -2.356066     -7.859969      3.355146
  H      -6.865988     -6.709857      2.804358
  H      -5.834762     -7.199724      4.155243
  H      -5.040711     -6.198634      1.370487
  H      -4.686094     -7.804031      2.075470
  H      -2.193619     -4.066096      0.491827
  H      -3.864590     -4.634608      0.331449
  H      -1.617299     -5.615073      2.148685
  H      -2.518702     -6.581269      0.948835
  C      -3.745261     -1.779564      0.338376
  C      -3.436219     -2.107745      1.802018
  C      -2.109981     -1.451122      2.294878
  C      -0.862961     -2.096153      1.765203
  C      -0.283155     -3.176912      2.448882
  C       0.835686     -3.828358      1.936120
  C       1.411893     -3.417686      0.726017
  C       2.611658     -4.113739      0.180021
  Cl      4.170152     -3.359973      0.787391
  C       0.845762     -2.329065      0.048142
  C      -0.273545     -1.678543      0.562719
  C      -7.867460     -5.392477      5.243896
  C      -7.128610     -4.530617      4.217515
  C      -8.029407     -4.182830      2.995799
  C      -9.195863     -3.310143      3.362973
  C     -10.489732     -3.828380      3.513235
  C     -11.550035     -3.012706      3.904529
  C     -11.345427     -1.650044      4.157126
  C     -12.475109     -0.776034      4.583169
  Cl    -12.635726     -0.720886      6.411942
  C     -10.054282     -1.124496      4.004789
  C      -8.998634     -1.942407      3.613860
  C      -0.468313     -4.493792      6.451373
  C      -1.955956     -4.232244      6.193827
  C      -2.837590     -4.557077      7.446159
  C      -3.127882     -6.011681      7.644665
  C      -2.264484     -6.864567      8.349747
  C      -2.511200     -8.233946      8.424488
  C      -3.637866     -8.792601      7.803969
  C      -3.881011    -10.261056      7.842702
  Cl     -3.183821    -11.093469      6.358264
  C      -4.525299     -7.940203      7.132924
  C      -4.272584     -6.574076      7.055911
  H      -4.697088     -2.238344      0.035301
  H      -3.836111     -0.691106      0.214611
  H      -2.962276     -2.129420     -0.348612
  H      -4.229177     -1.636725      2.407142
  H      -2.131312     -0.383135      2.023151
  H      -2.112726     -1.520562      3.393602
  H      -0.740225     -3.517328      3.381512
  H       1.274652     -4.666677      2.483061
  H       2.671982     -4.046461     -0.911475
  H       2.663944     -5.161498      0.494838
  H       1.294002     -1.988837     -0.888176
  H      -0.700693     -0.830179      0.023388
  H      -8.783566     -4.885001      5.575727
  H      -8.158713     -6.367480      4.825241
  H      -7.236145     -5.569965      6.126258
  H      -6.869455     -3.575708      4.699121
  H      -7.387511     -3.665068      2.266941
  H      -8.389615     -5.110821      2.524085
  H     -10.666133     -4.888275      3.316437
  H     -12.551432     -3.434629      4.016221
  H     -12.332396      0.267239      4.282278
  H     -13.443682     -1.141229      4.225738
  H      -9.882443     -0.062514      4.194644
  H      -7.998874     -1.518745      3.489941
  H      -0.125555     -3.874464      7.292400
  H       0.130102     -4.227229      5.568406
  H      -0.255826     -5.542154      6.702284
  H      -2.067227     -3.144149      6.061251
  H      -3.786273     -4.022238      7.292260
  H      -2.337861     -4.131797      8.331278
  H      -1.382544     -6.448744      8.842211
  H      -1.819214     -8.884000      8.964980
  H      -4.946794    -10.512563      7.826130
  H      -3.391972    -10.746860      8.693505
  H      -5.416775     -8.356071      6.656338
  H      -4.962383     -5.921478      6.516884
  N      -4.435032     -2.803277      4.961063
  N      -4.285367     -1.583726      5.464810
  H      -4.086926     -0.819974      4.801727
  H      -4.969119     -1.299595      6.168459
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858003488201
  N      -3.457688     -3.502465      2.118271
  C      -3.049923     -4.424475      1.061151
  C      -2.618386     -5.748589      1.677329
  N      -3.531033     -6.134174      2.773964
  C      -4.811587     -6.687367      2.290910
  C      -5.912645     -6.455343      3.319039
  N      -5.844292     -5.079964      3.809019
  Mo     -4.048515     -4.200924      3.878554
  N      -2.476546     -4.857861      4.978130
  C      -1.911164     -6.159650      4.632666
  C      -2.880680     -6.980460      3.794266
  H      -1.680019     -6.757519      5.530511
  H      -0.949113     -6.043768      4.087874
  H      -3.674799     -7.370492      4.445286
  H      -2.365080     -7.842037      3.327632
  H      -6.877179     -6.660942      2.820765
  H      -5.835229     -7.188920      4.146199
  H      -5.068906     -6.144901      1.369886
  H      -4.714328     -7.762127      2.043718
  H      -2.190921     -4.035206      0.487841
  H      -3.869888     -4.578557      0.329788
  H      -1.623284     -5.610009      2.119550
  H      -2.549266     -6.550620      0.918946
  C      -3.697890     -1.724328      0.355440
  C      -3.391225     -2.069576      1.815640
  C      -2.047516     -1.442929      2.305214
  C      -0.817363     -2.111721      1.765254
  C      -0.254763     -3.204041      2.445033
  C       0.847944     -3.877412      1.925076
  C       1.424628     -3.477297      0.711807
  C       2.608294     -4.195827      0.158969
  Cl      4.182098     -3.473691      0.764008
  C       0.875908     -2.376711      0.037937
  C      -0.226767     -1.704008      0.559545
  C      -7.866716     -5.368376      5.261613
  C      -7.115317     -4.501375      4.248585
  C      -8.004162     -4.136321      3.022843
  C      -9.196841     -3.299326      3.387019
  C     -10.479988     -3.854651      3.496477
  C     -11.570266     -3.077135      3.881671
  C     -11.408520     -1.715414      4.169899
  C     -12.570613     -0.881943      4.590340
  Cl    -12.771719     -0.875215      6.415434
  C     -10.128381     -1.153029      4.059322
  C      -9.042116     -1.933305      3.674029
  C      -0.476504     -4.510369      6.455409
  C      -1.960969     -4.235741      6.197849
  C      -2.848618     -4.552161      7.447683
  C      -3.135447     -6.007103      7.652971
  C      -2.268509     -6.857331      8.357236
  C      -2.513116     -8.227012      8.433609
  C      -3.639859     -8.789083      7.815725
  C      -3.878660    -10.258369      7.856212
  Cl     -3.189841    -11.086839      6.366721
  C      -4.529609     -7.939764      7.144640
  C      -4.279559     -6.572884      7.065847
  H      -4.661369     -2.158911      0.052885
  H      -3.764602     -0.633117      0.239994
  H      -2.925556     -2.085990     -0.337516
  H      -4.172797     -1.586681      2.426268
  H      -2.046612     -0.373045      2.039819
  H      -2.044237     -1.516176      3.403704
  H      -0.712803     -3.534020      3.380948
  H       1.274521     -4.724026      2.469353
  H       2.666267     -4.126496     -0.932602
  H       2.641192     -5.245488      0.470129
  H       1.325568     -2.044710     -0.900800
  H      -0.639691     -0.845721      0.024690
  H      -8.781714     -4.856266      5.590267
  H      -8.163369     -6.338196      4.834398
  H      -7.243950     -5.555551      6.147811
  H      -6.854158     -3.552688      4.740928
  H      -7.358800     -3.588970      2.318650
  H      -8.339018     -5.058141      2.521100
  H     -10.622905     -4.914054      3.271287
  H     -12.561980     -3.528650      3.960745
  H     -12.450029      0.171602      4.316390
  H     -13.520881     -1.264340      4.202820
  H      -9.989815     -0.091512      4.277668
  H      -8.051814     -1.479917      3.582080
  H      -0.128907     -3.894994      7.297397
  H       0.122500     -4.245347      5.571867
  H      -0.270404     -5.560472      6.704765
  H      -2.062683     -3.146499      6.066174
  H      -3.796662     -4.018707      7.283098
  H      -2.357981     -4.119571      8.334544
  H      -1.385676     -6.439953      8.846951
  H      -1.818074     -8.875355      8.972575
  H      -4.943771    -10.513370      7.847892
  H      -3.381360    -10.742831      8.703063
  H      -5.420092     -8.358283      6.668320
  H      -4.969565     -5.922280      6.525154
  N      -4.433101     -2.753602      4.934039
  N      -4.240228     -1.514223      5.375203
  H      -4.032682     -0.794732      4.666867
  H      -4.920937     -1.173602      6.056478
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858478230944
  N      -3.457173     -3.489776      2.136277
  C      -3.053807     -4.411349      1.075652
  C      -2.623831     -5.739731      1.684777
  N      -3.535478     -6.126896      2.781553
  C      -4.816451     -6.680222      2.296747
  C      -5.916605     -6.446284      3.325937
  N      -5.846401     -5.070130      3.815856
  Mo     -4.055032     -4.191460      3.891994
  N      -2.491982     -4.858652      4.992938
  C      -1.917768     -6.155073      4.641135
  C      -2.885234     -6.975500      3.800091
  H      -1.681147     -6.753353      5.536879
  H      -0.957389     -6.032155      4.095100
  H      -3.677825     -7.371492      4.449181
  H      -2.366002     -7.833695      3.331333
  H      -6.883842     -6.651179      2.833605
  H      -5.836341     -7.180255      4.152271
  H      -5.075757     -6.139447      1.375358
  H      -4.717116     -7.754535      2.049018
  H      -2.197066     -4.021172      0.499935
  H      -3.875849     -4.562676      0.346246
  H      -1.625540     -5.609611      2.122341
  H      -2.563240     -6.537391      0.921206
  C      -3.698752     -1.709838      0.376170
  C      -3.385273     -2.057281      1.834408
  C      -2.032541     -1.439216      2.313172
  C      -0.810569     -2.117502      1.766407
  C      -0.249239     -3.209921      2.447655
  C       0.845259     -3.893299      1.922740
  C       1.414761     -3.502882      0.702861
  C       2.589920     -4.231190      0.144060
  Cl      4.172245     -3.514540      0.733403
  C       0.868292     -2.401653      0.027967
  C      -0.225993     -1.718763      0.554323
  C      -7.880909     -5.357471      5.245264
  C      -7.117331     -4.483937      4.246183
  C      -7.994011     -4.102208      3.017679
  C      -9.196797     -3.280074      3.382142
  C     -10.476952     -3.847807      3.462973
  C     -11.579293     -3.087004      3.847003
  C     -11.433839     -1.729740      4.163633
  C     -12.609532     -0.914705      4.583053
  Cl    -12.834980     -0.942893      6.404274
  C     -10.156995     -1.155016      4.082298
  C      -9.058113     -1.918551      3.697643
  C      -0.491850     -4.501556      6.466572
  C      -1.978189     -4.233503      6.212149
  C      -2.860353     -4.556362      7.465722
  C      -3.137205     -6.014498      7.665780
  C      -2.261206     -6.861034      8.363811
  C      -2.493914     -8.233337      8.433210
  C      -3.617569     -8.801708      7.815457
  C      -3.841738    -10.273739      7.847119
  Cl     -3.150229    -11.084227      6.348570
  C      -4.517653     -7.956489      7.153061
  C      -4.279655     -6.586684      7.080707
  H      -4.667623     -2.136817      0.079618
  H      -3.757173     -0.618152      0.259626
  H      -2.933287     -2.078520     -0.320598
  H      -4.159941     -1.568091      2.449163
  H      -2.026320     -0.369370      2.047327
  H      -2.019651     -1.509910      3.411955
  H      -0.702092     -3.531775      3.388730
  H       1.270491     -4.740282      2.467530
  H       2.639047     -4.167732     -0.948355
  H       2.618932     -5.279692      0.459600
  H       1.312731     -2.077430     -0.916032
  H      -0.637533     -0.860516      0.018313
  H      -8.791258     -4.840768      5.580172
  H      -8.187467     -6.317553      4.803368
  H      -7.261329     -5.564350      6.129153
  H      -6.853409     -3.541075      4.748171
  H      -7.344105     -3.538694      2.330215
  H      -8.317479     -5.016642      2.495350
  H     -10.607487     -4.904095      3.216113
  H     -12.568004     -3.548795      3.902812
  H     -12.495573      0.144468      4.328270
  H     -13.550362     -1.299068      4.174832
  H     -10.030319     -0.096702      4.322962
  H      -8.070984     -1.453953      3.629763
  H      -0.144523     -3.882497      7.306093
  H       0.104376     -4.236878      5.580882
  H      -0.281778     -5.550295      6.718605
  H      -2.086518     -3.145100      6.081329
  H      -3.810931     -4.024911      7.310434
  H      -2.369386     -4.125402      8.353180
  H      -1.380754     -6.438603      8.853480
  H      -1.791939     -8.878576      8.967051
  H      -4.904323    -10.539337      7.842082
  H      -3.336166    -10.758555      8.688903
  H      -5.407263     -8.380260      6.679733
  H      -4.978430     -5.938420      6.548543
  N      -4.433496     -2.746047      4.952145
  N      -4.155341     -1.493464      5.322767
  H      -3.866982     -0.842212      4.576597
  H      -4.829899     -1.064807      5.958975
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858648429477
  N      -3.481929     -3.498179      2.166943
  C      -3.069960     -4.416478      1.101217
  C      -2.620966     -5.740517      1.705692
  N      -3.529248     -6.133044      2.806135
  C      -4.803991     -6.702102      2.311455
  C      -5.904476     -6.487120      3.344185
  N      -5.841106     -5.116696      3.851276
  Mo     -4.065644     -4.208206      3.921250
  N      -2.521084     -4.876522      5.022871
  C      -1.914493     -6.158517      4.666726
  C      -2.871834     -6.985416      3.819918
  H      -1.667541     -6.754288      5.560759
  H      -0.957146     -6.015576      4.121925
  H      -3.658623     -7.396275      4.465926
  H      -2.342676     -7.833328      3.344320
  H      -6.874937     -6.693897      2.860133
  H      -5.812036     -7.232762      4.159282
  H      -5.071428     -6.158986      1.394074
  H      -4.680945     -7.770902      2.053871
  H      -2.226006     -4.011964      0.518020
  H      -3.893236     -4.584022      0.377682
  H      -1.619148     -5.611389      2.135396
  H      -2.566977     -6.534310      0.937781
  C      -3.763822     -1.729896      0.403154
  C      -3.419292     -2.066055      1.857082
  C      -2.057940     -1.440451      2.302911
  C      -0.840601     -2.117099      1.743840
  C      -0.254007     -3.190094      2.436310
  C       0.838360     -3.873438      1.905846
  C       1.381255     -3.500996      0.667937
  C       2.555484     -4.225722      0.101507
  Cl      4.139487     -3.478252      0.647930
  C       0.811568     -2.418459     -0.018067
  C      -0.280881     -1.735607      0.513700
  C      -7.932693     -5.419956      5.180201
  C      -7.116370     -4.519586      4.246350
  C      -7.938966     -4.071537      3.003690
  C      -9.133673     -3.235405      3.359863
  C     -10.429707     -3.773920      3.377238
  C     -11.526448     -3.001336      3.754435
  C     -11.361194     -1.660911      4.129490
  C     -12.532098     -0.835197      4.540671
  Cl    -12.820459     -0.923844      6.351440
  C     -10.068849     -1.115787      4.113617
  C      -8.974863     -1.890398      3.734394
  C      -0.522452     -4.471919      6.485943
  C      -2.014143     -4.227566      6.234590
  C      -2.882001     -4.560805      7.498334
  C      -3.139572     -6.024914      7.690185
  C      -2.250305     -6.857161      8.389721
  C      -2.455561     -8.234949      8.451706
  C      -3.565320     -8.821863      7.826601
  C      -3.757292    -10.299293      7.847721
  Cl     -3.036328    -11.083992      6.347857
  C      -4.482121     -7.991230      7.167776
  C      -4.272188     -6.615642      7.102325
  H      -4.737614     -2.161361      0.129069
  H      -3.825997     -0.639228      0.276411
  H      -3.010859     -2.104878     -0.303807
  H      -4.181681     -1.573154      2.483595
  H      -2.063437     -0.372277      2.029669
  H      -2.021170     -1.500142      3.402010
  H      -0.684198     -3.496356      3.392756
  H       1.281912     -4.705572      2.458988
  H       2.582134     -4.183115     -0.992827
  H       2.602049     -5.268058      0.435383
  H       1.235451     -2.108536     -0.976449
  H      -0.710924     -0.892850     -0.032425
  H      -8.833635     -4.894425      5.527892
  H      -8.260297     -6.342648      4.677763
  H      -7.336193     -5.698787      6.060654
  H      -6.857468     -3.600925      4.794026
  H      -7.251991     -3.495825      2.363271
  H      -8.261261     -4.957733      2.433303
  H     -10.576800     -4.816807      3.085403
  H     -12.527067     -3.441106      3.758174
  H     -12.387022      0.229497      4.327392
  H     -13.466195     -1.182816      4.086212
  H      -9.924546     -0.070902      4.400227
  H      -7.976043     -1.446111      3.721034
  H      -0.179922     -3.835898      7.315063
  H       0.070298     -4.215348      5.595251
  H      -0.302589     -5.514901      6.753551
  H      -2.143109     -3.143736      6.092932
  H      -3.838576     -4.034642      7.365731
  H      -2.386555     -4.132371      8.384389
  H      -1.381288     -6.418739      8.885878
  H      -1.743827     -8.868633      8.986811
  H      -4.814019    -10.587636      7.835115
  H      -3.247710    -10.776896      8.691370
  H      -5.364402     -8.431264      6.695258
  H      -4.985308     -5.978709      6.574805
  N      -4.492137     -2.776189      4.980920
  N      -4.268297     -1.513674      5.381254
  H      -3.994143     -0.849599      4.641489
  H      -4.987771     -1.135418      6.001080
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858824595794
  N      -3.480312     -3.499418      2.168559
  C      -3.068702     -4.420023      1.105064
  C      -2.620057     -5.743017      1.711919
  N      -3.527039     -6.136226      2.813029
  C      -4.803586     -6.703750      2.323682
  C      -5.902779     -6.484642      3.356597
  N      -5.838212     -5.112783      3.860835
  Mo     -4.061570     -4.209537      3.925195
  N      -2.515656     -4.876016      5.029445
  C      -1.909384     -6.157248      4.669820
  C      -2.866560     -6.986735      3.825452
  H      -1.661184     -6.755006      5.562366
  H      -0.953386     -6.011951      4.123695
  H      -3.652364     -7.396224      4.473544
  H      -2.338113     -7.834975      3.349572
  H      -6.872449     -6.691489      2.870497
  H      -5.812025     -7.226060      4.175569
  H      -5.068674     -6.160484      1.405621
  H      -4.685771     -7.773961      2.069269
  H      -2.223616     -4.018206      0.521547
  H      -3.892914     -4.587508      0.382594
  H      -1.619594     -5.611211      2.143703
  H      -2.562909     -6.537533      0.944808
  C      -3.773406     -1.736973      0.399049
  C      -3.424449     -2.068546      1.853165
  C      -2.068262     -1.433698      2.297874
  C      -0.847079     -2.103649      1.739412
  C      -0.255125     -3.173914      2.430926
  C       0.839629     -3.851714      1.899217
  C       1.379735     -3.476621      0.660969
  C       2.555403     -4.197288      0.093022
  Cl      4.138249     -3.446215      0.636992
  C       0.804439     -2.396902     -0.024187
  C      -0.290752     -1.719847      0.508981
  C      -7.924952     -5.407034      5.207567
  C      -7.114502     -4.517511      4.259378
  C      -7.941709     -4.088772      3.013821
  C      -9.135853     -3.248492      3.363301
  C     -10.431153     -3.787150      3.391494
  C     -11.526835     -3.010044      3.762442
  C     -11.360168     -1.664997      4.118937
  C     -12.529786     -0.833453      4.522360
  Cl    -12.814820     -0.898928      6.334317
  C     -10.068368     -1.119690      4.091722
  C      -8.975773     -1.899048      3.719402
  C      -0.520561     -4.481283      6.501634
  C      -2.011531     -4.235821      6.246891
  C      -2.884232     -4.575067      7.503789
  C      -3.146475     -6.038488      7.689351
  C      -2.263078     -6.875495      8.389915
  C      -2.474079     -8.252342      8.449594
  C      -3.584340     -8.833443      7.820418
  C      -3.784845    -10.309511      7.840568
  Cl     -3.064455    -11.099367      6.343537
  C      -4.494564     -7.997895      7.158662
  C      -4.278368     -6.623637      7.095555
  H      -4.743947     -2.176332      0.126983
  H      -3.844469     -0.647084      0.271968
  H      -3.018806     -2.106743     -0.308848
  H      -4.189447     -1.578883      2.479425
  H      -2.080871     -0.366553      2.021392
  H      -2.031151     -1.492062      3.397044
  H      -0.683475     -3.483334      3.387213
  H       1.287186     -4.682059      2.451519
  H       2.580702     -4.154296     -1.001240
  H       2.605337     -5.239358      0.427071
  H       1.225920     -2.084724     -0.982708
  H      -0.725649     -0.879506     -0.036778
  H      -8.826129     -4.879321      5.550166
  H      -8.250743     -6.337576      4.718810
  H      -7.325595     -5.671498      6.090343
  H      -6.853990     -3.592260      4.795668
  H      -7.258240     -3.522256      2.362036
  H      -8.265983     -4.983851      2.458609
  H     -10.578838     -4.833642      3.114049
  H     -12.527176     -3.449676      3.775499
  H     -12.384207      0.228315      4.295752
  H     -13.464880     -1.186182      4.074107
  H      -9.923347     -0.071363      4.364102
  H      -7.977029     -1.455406      3.696840
  H      -0.181094     -3.850286      7.335671
  H       0.074761     -4.218924      5.614788
  H      -0.300709     -5.525676      6.763162
  H      -2.138956     -3.150930      6.111234
  H      -3.840028     -4.047798      7.367987
  H      -2.389418     -4.151212      8.392371
  H      -1.394121     -6.441397      8.889753
  H      -1.766945     -8.889641      8.986129
  H      -4.843157    -10.591471      7.824111
  H      -3.280911    -10.790268      8.685706
  H      -5.376226     -8.433488      6.681199
  H      -4.986128     -5.983231      6.565170
  N      -4.469036     -2.767659      4.980897
  N      -4.200915     -1.503306      5.344823
  H      -3.899032     -0.864485      4.593812
  H      -4.894967     -1.079278      5.963465
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.857102379378
  N      -3.482650     -3.499597      2.173486
  C      -3.067966     -4.420976      1.111954
  C      -2.615731     -5.741369      1.721490
  N      -3.521780     -6.137087      2.822310
  C      -4.798203     -6.705435      2.334847
  C      -5.896595     -6.488317      3.368587
  N      -5.832851     -5.117547      3.875498
  Mo     -4.058544     -4.210529      3.932351
  N      -2.516649     -4.876019      5.040883
  C      -1.904810     -6.153600      4.678721
  C      -2.858610     -6.986321      3.833571
  H      -1.654965     -6.752889      5.569945
  H      -0.949505     -6.002572      4.133244
  H      -3.643580     -7.396615      4.482270
  H      -2.328925     -7.833432      3.357205
  H      -6.865401     -6.694923      2.880495
  H      -5.805983     -7.229712      4.187573
  H      -5.062821     -6.160233      1.417719
  H      -4.680894     -7.775603      2.079835
  H      -2.223504     -4.018431      0.528007
  H      -3.892117     -4.591937      0.390241
  H      -1.617068     -5.604833      2.155870
  H      -2.553277     -6.536231      0.955024
  C      -3.791814     -1.744997      0.399033
  C      -3.433509     -2.069889      1.852357
  C      -2.079058     -1.427933      2.289477
  C      -0.856917     -2.095023      1.729663
  C      -0.257293     -3.159338      2.423514
  C       0.837151     -3.835558      1.889777
  C       1.369854     -3.464515      0.647132
  C       2.544859     -4.184120      0.076795
  Cl      4.128360     -3.426411      0.608806
  C       0.787191     -2.390454     -0.040316
  C      -0.308125     -1.715386      0.494920
  C      -7.926814     -5.410240      5.215199
  C      -7.111122     -4.522635      4.270409
  C      -7.931580     -4.095057      3.020180
  C      -9.124235     -3.249557      3.362778
  C     -10.421856     -3.782078      3.385059
  C     -11.515605     -2.999279      3.749822
  C     -11.343933     -1.654705      4.105239
  C     -12.511423     -0.816686      4.501314
  Cl    -12.807320     -0.878334      6.311764
  C     -10.049589     -1.115495      4.083753
  C      -8.959200     -1.900581      3.717787
  C      -0.526470     -4.479856      6.520470
  C      -2.017571     -4.239097      6.262581
  C      -2.892794     -4.587110      7.513999
  C      -3.152693     -6.051504      7.692931
  C      -2.270424     -6.888782      8.394145
  C      -2.479484     -8.266005      8.450693
  C      -3.587042     -8.847060      7.817002
  C      -3.787164    -10.323060      7.834357
  Cl     -3.060539    -11.111422      6.339826
  C      -4.495453     -8.011323      7.152995
  C      -4.280804     -6.636959      7.092943
  H      -4.761049     -2.191150      0.133934
  H      -3.870026     -0.656051      0.269118
  H      -3.039008     -2.112942     -0.311775
  H      -4.197846     -1.581764      2.480852
  H      -2.097548     -0.362257      2.008044
  H      -2.037504     -1.482338      3.388702
  H      -0.678983     -3.465820      3.383774
  H       1.290403     -4.661422      2.444021
  H       2.564574     -4.146153     -1.017725
  H       2.599566     -5.224328      0.415799
  H       1.202805     -2.081196     -1.002267
  H      -0.749114     -0.879824     -0.053229
  H      -8.828022     -4.880801      5.554393
  H      -8.252219     -6.340192      4.724955
  H      -7.331471     -5.676214      6.100237
  H      -6.851518     -3.597898      4.808272
  H      -7.243912     -3.532877      2.369319
  H      -8.256324     -4.991273      2.467179
  H     -10.573141     -4.828119      3.108262
  H     -12.518069     -3.433878      3.758753
  H     -12.358937      0.244096      4.274887
  H     -13.445857     -1.165071      4.048411
  H      -9.900721     -0.067664      4.355504
  H      -7.958183     -1.462082      3.699298
  H      -0.191898     -3.851021      7.357999
  H       0.070531     -4.211689      5.636633
  H      -0.303433     -5.524532      6.778117
  H      -2.148045     -3.154128      6.130486
  H      -3.849985     -4.062535      7.376803
  H      -2.400387     -4.165971      8.405171
  H      -1.403819     -6.454335      8.897713
  H      -1.773252     -8.903401      8.988134
  H      -4.845323    -10.605109      7.812557
  H      -3.286905    -10.804848      8.681049
  H      -5.374293     -8.447282      6.670780
  H      -4.986888     -5.997074      6.559794
  N      -4.463849     -2.765453      4.985522
  N      -4.188472     -1.499659      5.339042
  H      -3.886597     -0.866547      4.583241
  H      -4.881065     -1.066083      5.952465
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858453669476
  N      -3.514862     -3.505299      2.197035
  C      -3.083683     -4.427126      1.143154
  C      -2.604232     -5.731530      1.764302
  N      -3.498680     -6.143737      2.868457
  C      -4.773311     -6.725337      2.396606
  C      -5.864261     -6.521491      3.439039
  N      -5.810186     -5.153034      3.950553
  Mo     -4.050050     -4.223593      3.969864
  N      -2.517434     -4.875922      5.089972
  C      -1.875236     -6.132996      4.714118
  C      -2.812970     -6.984740      3.869552
  H      -1.610768     -6.737947      5.598044
  H      -0.926576     -5.950778      4.167875
  H      -3.588617     -7.402378      4.525261
  H      -2.276921     -7.823660      3.386751
  H      -6.829827     -6.735402      2.946867
  H      -5.765269     -7.258412      4.261034
  H      -5.043189     -6.175174      1.483686
  H      -4.652072     -7.795208      2.141606
  H      -2.246850     -4.016112      0.553953
  H      -3.908793     -4.620034      0.428053
  H      -1.613943     -5.565468      2.207152
  H      -2.514348     -6.528108      1.001789
  C      -3.907239     -1.790995      0.401056
  C      -3.505823     -2.081455      1.850188
  C      -2.165207     -1.398578      2.254637
  C      -0.932454     -2.049220      1.698857
  C      -0.297034     -3.078769      2.411897
  C       0.803805     -3.743795      1.880250
  C       1.309853     -3.394914      0.620228
  C       2.490759     -4.104923      0.051503
  Cl      4.067268     -3.304397      0.535980
  C       0.692356     -2.354375     -0.086505
  C      -0.411269     -1.692341      0.447147
  C      -7.924189     -5.431172      5.280055
  C      -7.098405     -4.562856      4.329272
  C      -7.902343     -4.171115      3.057209
  C      -9.072345     -3.277333      3.356819
  C     -10.384237     -3.767292      3.412310
  C     -11.451584     -2.929924      3.733186
  C     -11.235237     -1.573003      4.005263
  C     -12.373754     -0.675185      4.351274
  Cl    -12.671955     -0.620652      6.162166
  C      -9.925329     -1.076637      3.951017
  C      -8.862638     -1.916495      3.631874
  C      -0.544247     -4.465090      6.592010
  C      -2.038678     -4.254092      6.329377
  C      -2.914475     -4.651701      7.559730
  C      -3.163616     -6.121168      7.699017
  C      -2.282176     -6.966615      8.389387
  C      -2.483722     -8.345531      8.422048
  C      -3.584871     -8.919341      7.771861
  C      -3.785609    -10.394658      7.765486
  Cl     -3.041299    -11.165208      6.271666
  C      -4.489072     -8.075800      7.111967
  C      -4.279969     -6.701062      7.075255
  H      -4.865397     -2.275802      0.167597
  H      -4.026871     -0.707971      0.258293
  H      -3.159549     -2.145240     -0.322286
  H      -4.270126     -1.605212      2.488776
  H      -2.214729     -0.341989      1.945559
  H      -2.109045     -1.429276      3.354116
  H      -0.692631     -3.368830      3.388539
  H       1.283948     -4.542692      2.450674
  H       2.493299     -4.095812     -1.043618
  H       2.571927     -5.133637      0.418796
  H       1.086642     -2.060856     -1.061967
  H      -0.880161     -0.884144     -0.118409
  H      -8.826287     -4.894416      5.602048
  H      -8.245206     -6.368863      4.801195
  H      -7.338273     -5.685438      6.174912
  H      -6.845007     -3.629380      4.855852
  H      -7.200541     -3.657789      2.382763
  H      -8.247206     -5.085804      2.549043
  H     -10.568340     -4.832636      3.215975
  H     -12.466548     -3.331221      3.775983
  H     -12.185475      0.365413      4.066780
  H     -13.319942     -1.017755      3.919281
  H      -9.741818     -0.020443      4.159989
  H      -7.848086     -1.513479      3.584283
  H      -0.230007     -3.845477      7.443648
  H       0.052813     -4.166500      5.718462
  H      -0.299239     -5.509657      6.829582
  H      -2.190832     -3.169805      6.216940
  H      -3.879164     -4.138533      7.429124
  H      -2.424643     -4.250792      8.461426
  H      -1.421488     -6.535957      8.906086
  H      -1.778062     -8.988804      8.952453
  H      -4.843516    -10.674764      7.723286
  H      -3.297829    -10.889307      8.611867
  H      -5.359508     -8.507844      6.611639
  H      -4.981690     -6.058353      6.540083
  N      -4.448218     -2.768062      5.016237
  N      -4.160735     -1.498362      5.341731
  H      -3.876898     -0.872800      4.573278
  H      -4.849379     -1.044074      5.943530
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858890955858
  N      -3.496330     -3.502014      2.184277
  C      -3.073585     -4.422683      1.125342
  C      -2.609487     -5.736721      1.738915
  N      -3.512644     -6.140579      2.838961
  C      -4.786696     -6.715320      2.353334
  C      -5.884485     -6.506325      3.389063
  N      -5.826710     -5.137256      3.900184
  Mo     -4.059958     -4.217734      3.946295
  N      -2.526465     -4.879100      5.063523
  C      -1.898636     -6.147081      4.696839
  C      -2.842621     -6.987123      3.847535
  H      -1.643758     -6.748248      5.585469
  H      -0.944472     -5.981803      4.153798
  H      -3.624929     -7.403252      4.495806
  H      -2.307305     -7.829313      3.369203
  H      -6.851628     -6.716207      2.899031
  H      -5.790302     -7.248260      4.207087
  H      -5.053884     -6.168285      1.438027
  H      -4.664728     -7.784605      2.096684
  H      -2.232555     -4.015272      0.539883
  H      -3.896958     -4.603181      0.405070
  H      -1.614401     -5.587689      2.177417
  H      -2.534565     -6.531744      0.973558
  C      -3.835843     -1.759274      0.404341
  C      -3.460620     -2.073717      1.855571
  C      -2.108651     -1.418529      2.278719
  C      -0.884272     -2.079058      1.715844
  C      -0.268754     -3.131039      2.414347
  C       0.826615     -3.802743      1.877399
  C       1.345241     -3.438867      0.626737
  C       2.520881     -4.154204      0.052618
  Cl      4.103085     -3.379849      0.563184
  C       0.747488     -2.376254     -0.065189
  C      -0.349271     -1.706276      0.473317
  C      -7.932206     -5.429649      5.225099
  C      -7.109128     -4.543729      4.285835
  C      -7.920015     -4.120471      3.027852
  C      -9.101393     -3.253504      3.356390
  C     -10.406609     -3.765610      3.389379
  C     -11.488016     -2.958815      3.738938
  C     -11.295171     -1.610246      4.066826
  C     -12.449313     -0.746262      4.445634
  Cl    -12.748093     -0.768478      6.256888
  C      -9.992691     -1.091656      4.035593
  C      -8.915023     -1.900760      3.685500
  C      -0.546128     -4.468203      6.553881
  C      -2.039186     -4.244663      6.292272
  C      -2.914366     -4.613617      7.536566
  C      -3.161337     -6.081680      7.703197
  C      -2.274011     -6.915249      8.402044
  C      -2.470918     -8.294513      8.450866
  C      -3.571866     -8.881215      7.811130
  C      -3.760891    -10.358617      7.819792
  Cl     -3.020730    -11.133936      6.325408
  C      -4.484790     -8.049531      7.148283
  C      -4.281684     -6.673312      7.095566
  H      -4.802405     -2.217854      0.151259
  H      -3.927448     -0.672001      0.270171
  H      -3.086057     -2.122914     -0.311881
  H      -4.223392     -1.589437      2.489188
  H      -2.138127     -0.355169      1.989898
  H      -2.058604     -1.466229      3.377843
  H      -0.677603     -3.432372      3.381739
  H       1.291619     -4.619378      2.435434
  H       2.530658     -4.125912     -1.042285
  H       2.586863     -5.190675      0.400856
  H       1.152117     -2.071924     -1.033311
  H      -0.802227     -0.880109     -0.079262
  H      -8.834442     -4.898728      5.558701
  H      -8.255528     -6.359097      4.732322
  H      -7.343223     -5.697490      6.113866
  H      -6.853087     -3.618850      4.825275
  H      -7.223821     -3.575611      2.371617
  H      -8.254553     -5.020022      2.486424
  H     -10.573815     -4.818221      3.139818
  H     -12.496970     -3.377574      3.758404
  H     -12.279429      0.307568      4.200268
  H     -13.389072     -1.088051      3.998894
  H      -9.827207     -0.041355      4.287052
  H      -7.907122     -1.478940      3.658292
  H      -0.222538     -3.840568      7.396503
  H       0.050875     -4.187071      5.674189
  H      -0.311021     -5.511762      6.805434
  H      -2.182272     -3.160734      6.166272
  H      -3.876986     -4.098535      7.401070
  H      -2.427183     -4.195874      8.432141
  H      -1.412642     -6.475764      8.910189
  H      -1.760551     -8.928754      8.986419
  H      -4.816771    -10.648236      7.790170
  H      -3.261757    -10.841325      8.666589
  H      -5.357681     -8.490695      6.660101
  H      -4.990703     -6.037705      6.561239
  N      -4.471995     -2.770764      4.996622
  N      -4.198913     -1.502762      5.343655
  H      -3.897027     -0.871944      4.586089
  H      -4.895824     -1.065384      5.949360
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858912885044
  N      -3.494642     -3.502293      2.173066
  C      -3.071470     -4.423756      1.114896
  C      -2.607686     -5.737377      1.729691
  N      -3.512398     -6.139991      2.828799
  C      -4.786023     -6.714659      2.341300
  C      -5.884610     -6.505540      3.376611
  N      -5.827104     -5.136274      3.887337
  Mo     -4.060598     -4.215673      3.934963
  N      -2.527969     -4.877037      5.053686
  C      -1.901305     -6.146646      4.690151
  C      -2.845024     -6.986025      3.839917
  H      -1.647935     -6.746063      5.580264
  H      -0.945886     -5.984044      4.148214
  H      -3.628468     -7.401875      4.486942
  H      -2.308934     -7.828812      3.363459
  H      -6.852214     -6.715831      2.887757
  H      -5.789799     -7.248216      4.193981
  H      -5.054044     -6.168854      1.425567
  H      -4.663223     -7.783851      2.084649
  H      -2.230405     -4.016549      0.529341
  H      -3.893969     -4.604940      0.393797
  H      -1.612649     -5.587603      2.168271
  H      -2.532180     -6.533264      0.965314
  C      -3.826009     -1.760151      0.391748
  C      -3.457393     -2.073881      1.844809
  C      -2.105772     -1.419468      2.272279
  C      -0.879882     -2.083610      1.716969
  C      -0.268809     -3.133674      2.422405
  C       0.828776     -3.808454      1.893359
  C       1.353792     -3.449762      0.643850
  C       2.532094     -4.167794      0.078309
  Cl      4.111707     -3.391201      0.594052
  C       0.760403     -2.389009     -0.055021
  C      -0.338255     -1.715696      0.475561
  C      -7.929481     -5.435394      5.212161
  C      -7.108110     -4.543280      4.276805
  C      -7.921990     -4.110627      3.023901
  C      -9.104070     -3.248698      3.362143
  C     -10.408637     -3.763165      3.390678
  C     -11.491038     -2.962011      3.749896
  C     -11.300185     -1.616948      4.093363
  C     -12.455376     -0.759424      4.483407
  Cl    -12.751400     -0.803269      6.294835
  C      -9.998394     -1.095941      4.066748
  C      -8.919617     -1.899229      3.706219
  C      -0.548503     -4.464614      6.543678
  C      -2.041126     -4.239657      6.280727
  C      -2.918422     -4.603756      7.525678
  C      -3.164846     -6.071685      7.697087
  C      -2.278492     -6.902556      8.400760
  C      -2.475054     -8.281750      8.453558
  C      -3.574337     -8.871320      7.813311
  C      -3.762327    -10.348958      7.826953
  Cl     -3.018115    -11.128779      6.336696
  C      -4.486485     -8.042403      7.145970
  C      -4.284175     -6.665944      7.089578
  H      -4.792472     -2.217148      0.135000
  H      -3.914956     -0.672791      0.255675
  H      -3.073810     -2.125952     -0.320815
  H      -4.222035     -1.588484      2.475091
  H      -2.131877     -0.356617      1.980994
  H      -2.060956     -1.463791      3.371792
  H      -0.682758     -3.430857      3.388868
  H       1.290421     -4.623399      2.456755
  H       2.547329     -4.143794     -1.016672
  H       2.596235     -5.203001      0.430684
  H       1.170086     -2.088719     -1.022350
  H      -0.787370     -0.890780     -0.082055
  H      -8.832153     -4.907062      5.549365
  H      -8.252533     -6.362504      4.714882
  H      -7.339518     -5.707197      6.099071
  H      -6.851328     -3.621445      4.820917
  H      -7.227613     -3.558638      2.371525
  H      -8.256181     -5.005651      2.474654
  H     -10.574573     -4.811425      3.126608
  H     -12.499504     -3.382361      3.764367
  H     -12.287774      0.297484      4.249839
  H     -13.395207     -1.097699      4.034082
  H      -9.834559     -0.048241      4.330258
  H      -7.912223     -1.475701      3.683306
  H      -0.224432     -3.835705      7.385275
  H       0.048902     -4.185601      5.663395
  H      -0.314420     -5.507921      6.797391
  H      -2.183189     -3.156007      6.151852
  H      -3.880669     -4.088998      7.386831
  H      -2.434317     -4.182376      8.421251
  H      -1.418572     -6.461036      8.909650
  H      -1.765708     -8.913858      8.993128
  H      -4.817947    -10.639520      7.796427
  H      -3.264534    -10.828236      8.676522
  H      -5.358642     -8.485585      6.658206
  H      -4.992955     -6.032205      6.552583
  N      -4.478083     -2.770138      4.984403
  N      -4.212265     -1.502149      5.336823
  H      -3.908101     -0.868501      4.582425
  H      -4.912300     -1.070651      5.943303
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7067.373560209913
  N      -3.496597     -3.502259      2.167938
  C      -3.070390     -4.423726      1.111001
  C      -2.605373     -5.736182      1.727383
  N      -3.511531     -6.140000      2.824645
  C      -4.784158     -6.715058      2.335168
  C      -5.883919     -6.507416      3.369705
  N      -5.827414     -5.138722      3.881923
  Mo     -4.062336     -4.215832      3.930086
  N      -2.532477     -4.877271      5.052359
  C      -1.904109     -6.146222      4.689361
  C      -2.845469     -6.985879      3.836764
  H      -1.651526     -6.745551      5.579705
  H      -0.947782     -5.982642      4.149237
  H      -3.629695     -7.402851      4.482062
  H      -2.307644     -7.827866      3.360890
  H      -6.851144     -6.717581      2.880074
  H      -5.789289     -7.251023      4.186236
  H      -5.052000     -6.169042      1.419552
  H      -4.660433     -7.783995      2.077900
  H      -2.228968     -4.015667      0.526543
  H      -3.891236     -4.606542      0.388446
  H      -1.611698     -5.583463      2.168093
  H      -2.526049     -6.532425      0.963742
  C      -3.828461     -1.761286      0.385622
  C      -3.460651     -2.073901      1.839149
  C      -2.109591     -1.417887      2.266845
  C      -0.882775     -2.082981      1.714775
  C      -0.272161     -3.130766      2.423929
  C       0.826630     -3.806405      1.898324
  C       1.353065     -3.451090      0.648472
  C       2.532655     -4.169955      0.086624
  Cl      4.110858     -3.390150      0.601934
  C       0.760009     -2.392609     -0.054222
  C      -0.339634     -1.718270      0.473004
  C      -7.931431     -5.442249      5.202759
  C      -7.108437     -4.546555      4.272086
  C      -7.920963     -4.107644      3.020554
  C      -9.101229     -3.244661      3.362252
  C     -10.407237     -3.755662      3.386318
  C     -11.487740     -2.953656      3.749355
  C     -11.293459     -1.611345      4.101537
  C     -12.446580     -0.753075      4.496006
  Cl    -12.744215     -0.807897      6.306935
  C      -9.990170     -1.093753      4.079342
  C      -8.913305     -1.897783      3.714785
  C      -0.555256     -4.461810      6.544391
  C      -2.048021     -4.239458      6.280086
  C      -2.926253     -4.604908      7.524036
  C      -3.167709     -6.073472      7.697872
  C      -2.279544     -6.899895      8.404567
  C      -2.471808     -8.279551      8.460338
  C      -3.568431     -8.874192      7.820130
  C      -3.751978    -10.352384      7.837584
  Cl     -3.002310    -11.134270      6.351095
  C      -4.482270     -8.049787      7.149550
  C      -4.284306     -6.672748      7.090217
  H      -4.794405     -2.219275      0.128582
  H      -3.918226     -0.674098      0.248638
  H      -3.075512     -2.126992     -0.326170
  H      -4.226021     -1.588823      2.468743
  H      -2.135483     -0.355666      1.973241
  H      -2.066156     -1.459579      3.366504
  H      -0.687218     -3.425707      3.390595
  H       1.287955     -4.619483      2.464680
  H       2.549239     -4.149394     -1.008413
  H       2.597319     -5.203997      0.442295
  H       1.170780     -2.094849     -1.021874
  H      -0.788338     -0.895116     -0.087537
  H      -8.834731     -4.915003      5.540122
  H      -8.253669     -6.367538      4.701647
  H      -7.343294     -5.717193      6.089911
  H      -6.851815     -3.627079      4.820228
  H      -7.225273     -3.554133      2.370832
  H      -8.256732     -4.999724      2.467413
  H     -10.575915     -4.801127      3.114412
  H     -12.497470     -3.371101      3.759910
  H     -12.275765      0.304850      4.269493
  H     -13.387029     -1.085734      4.043793
  H      -9.823824     -0.048165      4.349623
  H      -7.904529     -1.477318      3.695640
  H      -0.233029     -3.832632      7.386518
  H       0.042063     -4.181063      5.664575
  H      -0.319126     -5.504719      6.797826
  H      -2.191926     -3.156047      6.151250
  H      -3.890013     -4.093683      7.382756
  H      -2.445595     -4.180376      8.419994
  H      -1.421685     -6.454417      8.913498
  H      -1.761167     -8.908107      9.002361
  H      -4.806671    -10.646156      7.805798
  H      -3.254479    -10.827791      8.689498
  H      -5.352431     -8.496903      6.661791
  H      -4.994401     -6.042592      6.550769
  N      -4.483989     -2.771153      4.979154
  N      -4.220400     -1.502966      5.332448
  H      -3.915391     -0.868945      4.578620
  H      -4.922328     -1.072476      5.937519
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858851751658
  N      -3.510446     -3.502116      2.131362
  C      -3.062357     -4.423122      1.083159
  C      -2.588373     -5.727150      1.710776
  N      -3.504742     -6.140090      2.794577
  C      -4.770013     -6.717985      2.290734
  C      -5.878245     -6.521301      3.319654
  N      -5.829124     -5.156849      3.842754
  Mo     -4.074477     -4.217461      3.895240
  N      -2.564707     -4.879617      5.042636
  C      -1.924004     -6.143682      4.683356
  C      -2.848123     -6.985107      3.813622
  H      -1.677087     -6.742558      5.575225
  H      -0.961259     -5.972860      4.156420
  H      -3.637823     -7.410390      4.446313
  H      -2.297790     -7.821129      3.341856
  H      -6.842691     -6.730553      2.824383
  H      -5.784823     -7.271699      4.129987
  H      -5.036609     -6.170328      1.376058
  H      -4.639435     -7.784980      2.028863
  H      -2.218548     -4.008609      0.506699
  H      -3.871142     -4.617605      0.350221
  H      -1.604922     -5.553162      2.166732
  H      -2.481405     -6.525524      0.952595
  C      -3.846773     -1.768937      0.342472
  C      -3.484309     -2.073794      1.799135
  C      -2.137192     -1.406387      2.228039
  C      -0.904041     -2.078062      1.698881
  C      -0.296720     -3.109243      2.434283
  C       0.810365     -3.790815      1.933098
  C       1.346623     -3.459789      0.680945
  C       2.535028     -4.184453      0.145305
  Cl      4.103357     -3.381879      0.656488
  C       0.756002     -2.417847     -0.048760
  C      -0.350357     -1.736347      0.454657
  C      -7.945294     -5.491500      5.133622
  C      -7.110335     -4.570632      4.237519
  C      -7.912605     -4.086683      2.996546
  C      -9.079447     -3.216213      3.363212
  C     -10.395653     -3.700648      3.355499
  C     -11.462167     -2.892770      3.746015
  C     -11.243087     -1.572271      4.160470
  C     -12.381012     -0.709017      4.586658
  Cl    -12.691606     -0.842311      6.391789
  C      -9.929160     -1.080867      4.169734
  C      -8.866363     -1.889894      3.776231
  C      -0.603763     -4.442610      6.549219
  C      -2.097356     -4.238821      6.275188
  C      -2.982315     -4.613779      7.511900
  C      -3.188578     -6.086144      7.703611
  C      -2.288553     -6.880466      8.432274
  C      -2.450726     -8.262745      8.509870
  C      -3.527853     -8.893189      7.870158
  C      -3.680410    -10.374558      7.915572
  Cl     -2.891200    -11.171126      6.457228
  C      -4.452612     -8.101306      7.175988
  C      -4.285111     -6.720826      7.095071
  H      -4.808994     -2.234104      0.083590
  H      -3.942532     -0.683017      0.199127
  H      -3.088638     -2.133775     -0.364052
  H      -4.254705     -1.591324      2.424197
  H      -2.161512     -0.348773      1.918033
  H      -2.103398     -1.429358      3.328491
  H      -0.719451     -3.388106      3.402326
  H       1.269375     -4.590312      2.520345
  H       2.560957     -4.188602     -0.949778
  H       2.603284     -5.209808      0.524580
  H       1.174320     -2.138290     -1.018619
  H      -0.796111     -0.926037     -0.126564
  H      -8.853135     -4.971922      5.471707
  H      -8.261452     -6.403173      4.604968
  H      -7.370704     -5.789295      6.022265
  H      -6.855129     -3.668690      4.814541
  H      -7.207172     -3.522891      2.366176
  H      -8.259791     -4.956886      2.415719
  H     -10.583992     -4.723914      3.027668
  H     -12.480828     -3.287851      3.728708
  H     -12.186605      0.354488      4.411149
  H     -13.325413     -1.000236      4.114552
  H      -9.744641     -0.052010      4.488385
  H      -7.847833     -1.492864      3.783743
  H      -0.294711     -3.811580      7.395052
  H      -0.007188     -4.149565      5.672738
  H      -0.353041     -5.482535      6.800793
  H      -2.254359     -3.157206      6.146535
  H      -3.956336     -4.128003      7.353057
  H      -2.526820     -4.166960      8.410289
  H      -1.445861     -6.407019      8.941384
  H      -1.731733     -8.865708      9.069768
  H      -4.728219    -10.690897      7.874576
  H      -3.186170    -10.822037      8.784352
  H      -5.308136     -8.576167      6.688420
  H      -5.003737     -6.116491      6.537816
  N      -4.526233     -2.779680      4.941986
  N      -4.279200     -1.510295      5.302308
  H      -3.968548     -0.872989      4.552959
  H      -4.994871     -1.087850      5.897326
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858643132633
  N      -3.498551     -3.492307      2.190177
  C      -3.092931     -4.410924      1.122588
  C      -2.635072     -5.732019      1.725064
  N      -3.530518     -6.132415      2.833922
  C      -4.812423     -6.699150      2.359251
  C      -5.901642     -6.487649      3.402490
  N      -5.835328     -5.120000      3.917820
  Mo     -4.061219     -4.210869      3.949812
  N      -2.514494     -4.876686      5.045680
  C      -1.895930     -6.146956      4.672461
  C      -2.854435     -6.982618      3.834955
  H      -1.637998     -6.752157      5.558088
  H      -0.946931     -5.985925      4.119955
  H      -3.633931     -7.390473      4.492121
  H      -2.330702     -7.830164      3.352850
  H      -6.871200     -6.692049      2.914581
  H      -5.808299     -7.231733      4.219081
  H      -5.080627     -6.145929      1.447515
  H      -4.699045     -7.768474      2.098262
  H      -2.254674     -4.007395      0.530509
  H      -3.926356     -4.581673      0.411396
  H      -1.633040     -5.599663      2.153119
  H      -2.579267     -6.522542      0.953412
  C      -3.827409     -1.744589      0.414934
  C      -3.455230     -2.063762      1.865603
  C      -2.104685     -1.415875      2.296827
  C      -0.879230     -2.080423      1.740769
  C      -0.271359     -3.135189      2.442222
  C       0.820370     -3.814195      1.908647
  C       1.345724     -3.452794      0.659941
  C       2.516101     -4.178142      0.088543
  Cl      4.105327     -3.423014      0.605450
  C       0.757995     -2.385925     -0.033312
  C      -0.337185     -1.710048      0.501177
  C      -7.930412     -5.397308      5.266428
  C      -7.116839     -4.524595      4.308718
  C      -7.936191     -4.124246      3.047759
  C      -9.123067     -3.259235      3.363203
  C     -10.423341     -3.782397      3.416227
  C     -11.511027     -2.976764      3.748973
  C     -11.329644     -1.617518      4.037056
  C     -12.490504     -0.754041      4.395709
  Cl    -12.784337     -0.725865      6.207713
  C     -10.032412     -1.088277      3.986158
  C      -8.948483     -1.896760      3.654632
  C      -0.524497     -4.484890      6.530583
  C      -2.016537     -4.249621      6.273914
  C      -2.891196     -4.621241      7.515823
  C      -3.135020     -6.089983      7.677569
  C      -2.254755     -6.918555      8.390632
  C      -2.449849     -8.298060      8.444824
  C      -3.540405     -8.889971      7.793008
  C      -3.732189    -10.366898      7.816399
  Cl     -2.968104    -11.165106      6.346742
  C      -4.443276     -8.063772      7.109115
  C      -4.243590     -6.687433      7.054192
  H      -4.794863     -2.198825      0.158182
  H      -3.914781     -0.656523      0.284976
  H      -3.077354     -2.108534     -0.301226
  H      -4.218704     -1.579453      2.498689
  H      -2.129789     -0.352351      2.008379
  H      -2.061163     -1.466402      3.396260
  H      -0.685530     -3.432311      3.408645
  H       1.278079     -4.633994      2.468057
  H       2.529814     -4.147831     -1.006217
  H       2.569414     -5.215849      0.435482
  H       1.168166     -2.084156     -0.999917
  H      -0.784162     -0.881713     -0.053028
  H      -8.829765     -4.863600      5.602352
  H      -8.257090     -6.333471      4.788098
  H      -7.331355     -5.653741      6.151874
  H      -6.857778     -3.592797      4.834840
  H      -7.245593     -3.588221      2.378712
  H      -8.267019     -5.035120      2.524013
  H     -10.580892     -4.849010      3.206887
  H     -12.515209     -3.405421      3.787899
  H     -12.331619      0.293845      4.119400
  H     -13.428181     -1.117652      3.961990
  H      -9.874852     -0.029884      4.206657
  H      -7.945979     -1.464094      3.610080
  H      -0.195412     -3.865512      7.377031
  H       0.075469     -4.203717      5.652995
  H      -0.298567     -5.532345      6.774539
  H      -2.152100     -3.164330      6.152716
  H      -3.855306     -4.109603      7.376541
  H      -2.405210     -4.202299      8.411428
  H      -1.403822     -6.474588      8.912126
  H      -1.747871     -8.927723      8.996489
  H      -4.787906    -10.655301      7.772291
  H      -3.248898    -10.838761      8.678366
  H      -5.308068     -8.509192      6.610667
  H      -4.946792     -6.055459      6.507459
  N      -4.445229     -2.755888      5.000367
  N      -4.160517     -1.489548      5.341630
  H      -3.852335     -0.860079      4.586560
  H      -4.841987     -1.043828      5.958180
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858908268714
  N      -3.495631     -3.508282      2.156203
  C      -3.061669     -4.429263      1.102400
  C      -2.595180     -5.740129      1.720907
  N      -3.504457     -6.144796      2.815195
  C      -4.775966     -6.719596      2.323697
  C      -5.875763     -6.515679      3.358863
  N      -5.822949     -5.147637      3.873421
  Mo     -4.059592     -4.221470      3.919625
  N      -2.533232     -4.883219      5.047276
  C      -1.902538     -6.151321      4.685380
  C      -2.840112     -6.990697      3.828217
  H      -1.653049     -6.751290      5.576200
  H      -0.943994     -5.986522      4.149553
  H      -3.625649     -7.409546      4.470668
  H      -2.299751     -7.831345      3.352884
  H      -6.842588     -6.727945      2.869380
  H      -5.779975     -7.260491      4.174183
  H      -5.044278     -6.172163      1.409107
  H      -4.651426     -7.787881      2.064048
  H      -2.218535     -4.019513      0.521473
  H      -3.878102     -4.614875      0.375594
  H      -1.604536     -5.581882      2.166447
  H      -2.508290     -6.537559      0.959287
  C      -3.827380     -1.770774      0.372011
  C      -3.464458     -2.080472      1.827423
  C      -2.116392     -1.419817      2.257402
  C      -0.886499     -2.075806      1.701140
  C      -0.271223     -3.124754      2.404491
  C       0.833802     -3.789312      1.877460
  C       1.361413     -3.422358      0.631439
  C       2.548682     -4.127157      0.067903
  Cl      4.118422     -3.336371      0.592491
  C       0.762455     -2.363882     -0.066117
  C      -0.342917     -1.700378      0.462722
  C      -7.924525     -5.467685      5.196511
  C      -7.104839     -4.562910      4.271926
  C      -7.920661     -4.116176      3.025350
  C      -9.095099     -3.247706      3.373359
  C     -10.404778     -3.749177      3.394798
  C     -11.479327     -2.940806      3.761428
  C     -11.275159     -1.601518      4.119366
  C     -12.422029     -0.735971      4.516063
  Cl    -12.721979     -0.795812      6.326636
  C      -9.967996     -1.093429      4.099910
  C      -8.897097     -1.903770      3.731923
  C      -0.565944     -4.476010      6.554654
  C      -2.055785     -4.248136      6.279247
  C      -2.945156     -4.607019      7.516599
  C      -3.188174     -6.074471      7.698396
  C      -2.308016     -6.894094      8.422893
  C      -2.502248     -8.272829      8.492110
  C      -3.592922     -8.873648      7.847556
  C      -3.778774    -10.351380      7.881511
  Cl     -3.013655    -11.154560      6.414274
  C      -4.498382     -8.056035      7.157484
  C      -4.298633     -6.679705      7.085131
  H      -4.789189     -2.235193      0.110912
  H      -3.924220     -0.684345      0.234083
  H      -3.069539     -2.131038     -0.337396
  H      -4.234493     -1.599010      2.454569
  H      -2.147079     -0.355855      1.970681
  H      -2.071913     -1.468331      3.356706
  H      -0.686373     -3.428592      3.368367
  H       1.299329     -4.602509      2.440239
  H       2.568059     -4.098827     -1.026920
  H       2.622412     -5.162921      0.416676
  H       1.173829     -2.056687     -1.030552
  H      -0.795234     -0.876061     -0.093209
  H      -8.830823     -4.946256      5.535052
  H      -8.241700     -6.391881      4.690217
  H      -7.336785     -5.744389      6.083353
  H      -6.849923     -3.646699      4.826274
  H      -7.224353     -3.564182      2.374986
  H      -8.262748     -5.004473      2.470001
  H     -10.581258     -4.790824      3.115844
  H     -12.492272     -3.350444      3.769321
  H     -12.242811      0.321530      4.294166
  H     -13.364671     -1.059413      4.061745
  H      -9.794336     -0.050093      4.374285
  H      -7.885048     -1.491126      3.714179
  H      -0.247681     -3.848769      7.399756
  H       0.038541     -4.196261      5.679412
  H      -0.334943     -5.519926      6.808700
  H      -2.194255     -3.164164      6.148755
  H      -3.907661     -4.097079      7.362527
  H      -2.474295     -4.176367      8.414872
  H      -1.455381     -6.443656      8.936226
  H      -1.798016     -8.895943      9.048589
  H      -4.833494    -10.643916      7.840961
  H      -3.291757    -10.816570      8.745051
  H      -5.363544     -8.507951      6.665288
  H      -5.002163     -6.055057      6.530797
  N      -4.483515     -2.776921      4.966939
  N      -4.224815     -1.509301      5.322983
  H      -3.927833     -0.871069      4.569402
  H      -4.926143     -1.083942      5.932412
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.850848419323
  N      -3.526296     -3.504025      2.175057
  C      -3.096945     -4.422416      1.115897
  C      -2.617423     -5.729376      1.732608
  N      -3.518821     -6.144927      2.829302
  C      -4.788508     -6.727305      2.337950
  C      -5.892265     -6.525690      3.370368
  N      -5.837941     -5.158758      3.887080
  Mo     -4.079440     -4.228043      3.938340
  N      -2.549571     -4.884045      5.062605
  C      -1.913122     -6.148710      4.696627
  C      -2.846797     -6.990882      3.838123
  H      -1.657827     -6.748605      5.585691
  H      -0.956827     -5.977385      4.158800
  H      -3.628075     -7.418355      4.480118
  H      -2.301370     -7.825260      3.357609
  H      -6.858382     -6.733744      2.877767
  H      -5.797323     -7.272049      4.184352
  H      -5.058561     -6.182622      1.422307
  H      -4.658159     -7.795329      2.080386
  H      -2.260389     -4.007244      0.529397
  H      -3.918695     -4.612123      0.396055
  H      -1.624801     -5.565519      2.172003
  H      -2.529897     -6.524590      0.968831
  C      -3.857128     -1.779177      0.378229
  C      -3.497071     -2.077560      1.837055
  C      -2.146454     -1.414050      2.263458
  C      -0.917034     -2.080568      1.718809
  C      -0.304390     -3.121293      2.436510
  C       0.799736     -3.794851      1.918948
  C       1.326923     -3.446364      0.667481
  C       2.511725     -4.164310      0.115249
  Cl      4.084383     -3.372533      0.629159
  C       0.730921     -2.395332     -0.044283
  C      -0.373211     -1.722347      0.475278
  C      -7.961055     -5.452965      5.178854
  C      -7.121387     -4.560948      4.259030
  C      -7.916770     -4.107219      3.002201
  C      -9.084334     -3.228066      3.346136
  C     -10.400160     -3.713815      3.350603
  C     -11.468948     -2.893846      3.708621
  C     -11.252590     -1.559284      4.076815
  C     -12.393461     -0.681801      4.465266
  Cl    -12.714548     -0.748299      6.271405
  C      -9.939279     -1.066873      4.074329
  C      -8.874001     -1.888952      3.715868
  C      -0.567761     -4.446323      6.541874
  C      -2.064959     -4.242615      6.287502
  C      -2.932839     -4.623827      7.534051
  C      -3.148661     -6.096767      7.710120
  C      -2.244735     -6.907879      8.414900
  C      -2.413319     -8.290640      8.470606
  C      -3.501526     -8.903734      7.833003
  C      -3.660340    -10.385082      7.850097
  Cl     -2.896886    -11.152995      6.363312
  C      -4.431296     -8.094827      7.165167
  C      -4.256874     -6.714347      7.105182
  H      -4.822739     -2.238251      0.121220
  H      -3.942854     -0.693424      0.228392
  H      -3.101101     -2.156449     -0.324255
  H      -4.266490     -1.589231      2.459752
  H      -2.175083     -0.353515      1.963730
  H      -2.104585     -1.448075      3.363491
  H      -0.719388     -3.411421      3.404738
  H       1.263915     -4.601606      2.492080
  H       2.531473     -4.153036     -0.979923
  H       2.579432     -5.195054      0.479806
  H       1.142290     -2.102803     -1.013348
  H      -0.824446     -0.905427     -0.092535
  H      -8.859874     -4.915837      5.512990
  H      -8.292265     -6.371009      4.670371
  H      -7.382939     -5.738922      6.069252
  H      -6.864486     -3.645907      4.814536
  H      -7.209792     -3.556589      2.362218
  H      -8.262098     -4.990551      2.440560
  H     -10.586649     -4.749349      3.059718
  H     -12.487052     -3.290738      3.701284
  H     -12.198270      0.374464      4.250894
  H     -13.334502     -0.991007      3.997749
  H      -9.756053     -0.026908      4.355509
  H      -7.856818     -1.488471      3.710604
  H      -0.249955     -3.821379      7.388907
  H       0.019613     -4.146878      5.661417
  H      -0.314862     -5.488350      6.782811
  H      -2.224530     -3.160807      6.163236
  H      -3.905222     -4.127778      7.397536
  H      -2.455292     -4.191800      8.428193
  H      -1.392441     -6.447823      8.920398
  H      -1.690040     -8.907158      9.009908
  H      -4.710253    -10.695640      7.818836
  H      -3.155729    -10.852402      8.702344
  H      -5.294486     -8.557363      6.679158
  H      -4.978131     -6.096141      6.566647
  N      -4.513964     -2.788797      4.992985
  N      -4.250705     -1.518848      5.345431
  H      -3.943660     -0.887007      4.590439
  H      -4.955836     -1.087758      5.946567
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858553902807
  N      -3.539727     -3.496257      2.217892
  C      -3.115082     -4.413980      1.155146
  C      -2.626468     -5.717752      1.771192
  N      -3.523072     -6.141504      2.867854
  C      -4.790576     -6.728599      2.374212
  C      -5.898915     -6.528179      3.402540
  N      -5.842204     -5.163041      3.922793
  Mo     -4.088612     -4.228003      3.979646
  N      -2.563314     -4.884245      5.106301
  C      -1.919360     -6.143980      4.735806
  C      -2.847835     -6.988165      3.874201
  H      -1.659885     -6.744650      5.622964
  H      -0.964331     -5.965135      4.198124
  H      -3.627038     -7.422496      4.514155
  H      -2.297504     -7.817536      3.390647
  H      -6.863875     -6.730403      2.905347
  H      -5.807710     -7.276917      4.214730
  H      -5.060080     -6.185265      1.457632
  H      -4.655973     -7.796353      2.117761
  H      -2.283583     -3.995637      0.563926
  H      -3.941098     -4.606729      0.441003
  H      -1.632663     -5.550538      2.206953
  H      -2.538120     -6.510903      1.005401
  C      -3.890351     -1.783380      0.413156
  C      -3.512594     -2.071437      1.869851
  C      -2.154854     -1.404783      2.274901
  C      -0.932871     -2.075678      1.719047
  C      -0.297475     -3.097086      2.444767
  C       0.795636     -3.778789      1.914539
  C       1.284778     -3.461264      0.639599
  C       2.452669     -4.195064      0.072020
  Cl      4.040106     -3.392468      0.519017
  C       0.665974     -2.429134     -0.081089
  C      -0.424374     -1.744972      0.453086
  C      -7.994503     -5.426306      5.169826
  C      -7.127250     -4.549289      4.260563
  C      -7.891060     -4.089917      2.986733
  C      -9.060544     -3.206636      3.312775
  C     -10.379209     -3.683930      3.284345
  C     -11.450682     -2.859107      3.622973
  C     -11.234277     -1.528979      4.006700
  C     -12.378189     -0.647116      4.376452
  Cl    -12.739770     -0.725742      6.173938
  C      -9.918183     -1.045080      4.037355
  C      -8.850163     -1.872038      3.698624
  C      -0.578650     -4.421781      6.573123
  C      -2.080918     -4.241945      6.330975
  C      -2.934494     -4.652471      7.578899
  C      -3.126988     -6.131147      7.736753
  C      -2.203434     -6.940549      8.417812
  C      -2.349073     -8.326752      8.447431
  C      -3.433694     -8.944741      7.808042
  C      -3.568699    -10.428553      7.795387
  Cl     -2.804450    -11.150079      6.286069
  C      -4.383945     -8.138079      7.166887
  C      -4.232007     -6.754083      7.131579
  H      -4.862945     -2.237263      0.173342
  H      -3.968455     -0.698411      0.253802
  H      -3.145856     -2.175578     -0.293345
  H      -4.273094     -1.575208      2.497543
  H      -2.189728     -0.346842      1.966472
  H      -2.097562     -1.427792      3.374662
  H      -0.684564     -3.365602      3.430714
  H       1.277797     -4.570826      2.493384
  H       2.440011     -4.213128     -1.023204
  H       2.529147     -5.216005      0.461608
  H       1.038774     -2.169850     -1.077973
  H      -0.897604     -0.947519     -0.124603
  H      -8.884419     -4.870268      5.496990
  H      -8.341820     -6.335251      4.655702
  H      -7.431411     -5.725638      6.065591
  H      -6.869905     -3.635304      4.817785
  H      -7.168796     -3.538268      2.364834
  H      -8.228546     -4.969625      2.414349
  H     -10.565877     -4.715348      2.980083
  H     -12.470961     -3.249191      3.588924
  H     -12.171278      0.409371      4.174321
  H     -13.310258     -0.946598      3.885092
  H      -9.734625     -0.008374      4.330357
  H      -7.830500     -1.478167      3.719234
  H      -0.267129     -3.804174      7.427882
  H      -0.003104     -4.097262      5.693569
  H      -0.304940     -5.462592      6.796140
  H      -2.261185     -3.162234      6.217738
  H      -3.914766     -4.167969      7.457833
  H      -2.454867     -4.226156      8.474730
  H      -1.352515     -6.476538      8.922179
  H      -1.609855     -8.941923      8.966432
  H      -4.613922    -10.754952      7.766814
  H      -3.050227    -10.905519      8.633887
  H      -5.244633     -8.605521      6.680905
  H      -4.968080     -6.137203      6.611894
  N      -4.534676     -2.793141      5.039160
  N      -4.257164     -1.519639      5.378444
  H      -3.923009     -0.905315      4.620597
  H      -4.967523     -1.070075      5.959527
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858832158251
  N      -3.518972     -3.503266      2.177943
  C      -3.082447     -4.425008      1.124969
  C      -2.602282     -5.727462      1.750918
  N      -3.507527     -6.139516      2.843812
  C      -4.777245     -6.718108      2.353868
  C      -5.877218     -6.520081      3.389841
  N      -5.823094     -5.156817      3.915019
  Mo     -4.069239     -4.215274      3.946759
  N      -2.551458     -4.876993      5.081072
  C      -1.909985     -6.138099      4.715375
  C      -2.841419     -6.982762      3.857332
  H      -1.654726     -6.737637      5.604901
  H      -0.953190     -5.964166      4.179199
  H      -3.625769     -7.404706      4.499368
  H      -2.296455     -7.821006      3.382887
  H      -6.844304     -6.726317      2.897966
  H      -5.783046     -7.271137      4.199703
  H      -5.048035     -6.169479      1.440632
  H      -4.649743     -7.785525      2.091285
  H      -2.244064     -4.011195      0.540314
  H      -3.899612     -4.621956      0.401946
  H      -1.614228     -5.554944      2.197708
  H      -2.503281     -6.525836      0.991621
  C      -3.878888     -1.766568      0.396248
  C      -3.494061     -2.076510      1.846100
  C      -2.143399     -1.412891      2.263039
  C      -0.915450     -2.071431      1.705951
  C      -0.279015     -3.094063      2.429083
  C       0.815683     -3.772618      1.898837
  C       1.310580     -3.447431      0.628279
  C       2.481142     -4.174607      0.058540
  Cl      4.065775     -3.370957      0.514068
  C       0.693189     -2.412166     -0.088512
  C      -0.400188     -1.732634      0.445117
  C      -7.953886     -5.459644      5.197113
  C      -7.106168     -4.560835      4.292134
  C      -7.889845     -4.096784      3.031496
  C      -9.064279     -3.219208      3.356325
  C     -10.380095     -3.703396      3.327880
  C     -11.455726     -2.883896      3.666124
  C     -11.245883     -1.552156      4.048001
  C     -12.393754     -0.675675      4.416609
  Cl    -12.756402     -0.753754      6.215160
  C      -9.932219     -1.061757      4.078861
  C      -8.860331     -1.883166      3.740417
  C      -0.589296     -4.439128      6.584232
  C      -2.084901     -4.242583      6.318140
  C      -2.960745     -4.642135      7.551825
  C      -3.165691     -6.117301      7.713978
  C      -2.261020     -6.926493      8.419605
  C      -2.421057     -8.310518      8.466550
  C      -3.500551     -8.926861      7.817487
  C      -3.655211    -10.408199      7.833182
  Cl     -2.870308    -11.174762      6.357068
  C      -4.428393     -8.120653      7.144453
  C      -4.262723     -6.739295      7.094165
  H      -4.846659     -2.227039      0.150322
  H      -3.971331     -0.679676      0.257396
  H      -3.132003     -2.132709     -0.321418
  H      -4.255734     -1.593850      2.480558
  H      -2.179004     -0.351696      1.966909
  H      -2.090368     -1.451704      3.362512
  H      -0.669783     -3.368655      3.411886
  H       1.295501     -4.567120      2.476085
  H       2.471592     -4.184718     -1.036722
  H       2.561026     -5.197853      0.441485
  H       1.069652     -2.146639     -1.082574
  H      -0.872202     -0.932789     -0.129888
  H      -8.852780     -4.922662      5.531066
  H      -8.285547     -6.371128      4.677192
  H      -7.382828     -5.757200      6.088376
  H      -6.849515     -3.651068      4.856494
  H      -7.172858     -3.548719      2.400371
  H      -8.226671     -4.978558      2.462356
  H     -10.560826     -4.739098      3.028370
  H     -12.473875     -3.279315      3.634504
  H     -12.192673      0.381938      4.214817
  H     -13.324827     -0.980156      3.926672
  H      -9.754339     -0.024062      4.371350
  H      -7.842571     -1.484888      3.761177
  H      -0.285477     -3.829003      7.446986
  H       0.004644     -4.116667      5.716331
  H      -0.329417     -5.483488      6.806486
  H      -2.249751     -3.160657      6.202598
  H      -3.936726     -4.155715      7.405719
  H      -2.498913     -4.211437      8.454830
  H      -1.416720     -6.463392      8.935560
  H      -1.699135     -8.925606      9.009162
  H      -4.703567    -10.722177      7.787280
  H      -3.160397    -10.873520      8.692201
  H      -5.285671     -8.585185      6.649995
  H      -4.983521     -6.123415      6.552332
  N      -4.505845     -2.772157      4.993441
  N      -4.239918     -1.499057      5.332890
  H      -3.910454     -0.879112      4.577954
  H      -4.950681     -1.054226      5.916701
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858896225271
  N      -3.515443     -3.504014      2.170455
  C      -3.080348     -4.423017      1.114701
  C      -2.604735     -5.729713      1.735095
  N      -3.510685     -6.141083      2.829570
  C      -4.781069     -6.719534      2.338594
  C      -5.882747     -6.518142      3.372629
  N      -5.828498     -5.152140      3.892353
  Mo     -4.068756     -4.221453      3.936537
  N      -2.542793     -4.882091      5.064659
  C      -1.906182     -6.145613      4.696541
  C      -2.842081     -6.987038      3.839875
  H      -1.651434     -6.747150      5.584815
  H      -0.950155     -5.973851      4.158678
  H      -3.625679     -7.408870      4.482624
  H      -2.299820     -7.824977      3.361958
  H      -6.848822     -6.725758      2.879694
  H      -5.789231     -7.265692      4.185803
  H      -5.049627     -6.172103      1.424044
  H      -4.653975     -7.787517      2.078939
  H      -2.240407     -4.009476      0.531939
  H      -3.898108     -4.613718      0.390909
  H      -1.615164     -5.563697      2.180496
  H      -2.511744     -6.526702      0.973520
  C      -3.859134     -1.769260      0.384351
  C      -3.488452     -2.076904      1.838318
  C      -2.141127     -1.411459      2.264616
  C      -0.911318     -2.069997      1.711517
  C      -0.284272     -3.101583      2.429802
  C       0.815337     -3.775451      1.903593
  C       1.323597     -3.437589      0.641434
  C       2.501428     -4.157497      0.077418
  Cl      4.079989     -3.355790      0.556568
  C       0.712370     -2.396696     -0.072173
  C      -0.385475     -1.721430      0.457718
  C      -7.953714     -5.454969      5.181641
  C      -7.112143     -4.557373      4.270393
  C      -7.904430     -4.102374      3.011954
  C      -9.076702     -3.224964      3.344618
  C     -10.391503     -3.712881      3.336652
  C     -11.463827     -2.897527      3.694925
  C     -11.251930     -1.565062      4.072920
  C     -12.396288     -0.692694      4.462107
  Cl    -12.727285     -0.773132      6.266223
  C      -9.939515     -1.070474      4.082266
  C      -8.871076     -1.887367      3.722236
  C      -0.572079     -4.457778      6.561645
  C      -2.067194     -4.249992      6.298120
  C      -2.945012     -4.633130      7.536343
  C      -3.163190     -6.105560      7.710323
  C      -2.267306     -6.914987      8.426884
  C      -2.439117     -8.297003      8.488846
  C      -3.522098     -8.911486      7.844221
  C      -3.686089    -10.392009      7.871965
  Cl     -2.906232    -11.177620      6.403176
  C      -4.442552     -8.104643      7.161327
  C      -4.265571     -6.724849      7.096634
  H      -4.825597     -2.228007      0.130873
  H      -3.948373     -0.682585      0.243302
  H      -3.107515     -2.138454     -0.327114
  H      -4.256204     -1.594535      2.466624
  H      -2.175143     -0.349733      1.969749
  H      -2.095509     -1.452726      3.364142
  H      -0.686481     -3.386410      3.404817
  H       1.289827     -4.575032      2.478197
  H       2.503378     -4.157507     -1.017951
  H       2.578927     -5.184037      0.451789
  H       1.098912     -2.121015     -1.058810
  H      -0.848963     -0.913170     -0.112351
  H      -8.857581     -4.923108      5.510519
  H      -8.276096     -6.373823      4.668860
  H      -7.380153     -5.740607      6.074814
  H      -6.858023     -3.644216      4.830470
  H      -7.194087     -3.553587      2.374209
  H      -8.245020     -4.986810      2.449398
  H     -10.573746     -4.749867      3.043067
  H     -12.480838     -3.296825      3.681809
  H     -12.202051      0.365590      4.257190
  H     -13.334398     -0.999990      3.987595
  H      -9.759816     -0.032781      4.373588
  H      -7.854188     -1.486440      3.729009
  H      -0.258347     -3.837075      7.413302
  H       0.021969     -4.156257      5.686362
  H      -0.322508     -5.501157      6.799809
  H      -2.222144     -3.167379      6.177000
  H      -3.916611     -4.138240      7.390012
  H      -2.476293     -4.200467      8.434807
  H      -1.420364     -6.453613      8.939910
  H      -1.723389     -8.911951      9.039694
  H      -4.736471    -10.699320      7.828487
  H      -3.194512    -10.853327      8.735016
  H      -5.301447     -8.568061      6.668887
  H      -4.980745     -6.108262      6.548053
  N      -4.497712     -2.778854      4.985433
  N      -4.240675     -1.509831      5.341258
  H      -3.950370     -0.870887      4.585808
  H      -4.942861     -1.086304      5.951111
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858913597461
  N      -3.509368     -3.501426      2.165096
  C      -3.073452     -4.421399      1.111031
  C      -2.601325     -5.729453      1.731563
  N      -3.509801     -6.138906      2.824428
  C      -4.780388     -6.714564      2.331320
  C      -5.882371     -6.512641      3.365124
  N      -5.827468     -5.147060      3.886050
  Mo     -4.067431     -4.217475      3.929978
  N      -2.544800     -4.880253      5.061445
  C      -1.910241     -6.145638      4.696380
  C      -2.844794     -6.985401      3.836517
  H      -1.659439     -6.746923      5.585941
  H      -0.951953     -5.976445      4.161619
  H      -3.630454     -7.406888      4.477024
  H      -2.301914     -7.823928      3.360211
  H      -6.848627     -6.719356      2.872276
  H      -5.789723     -7.261028      4.177586
  H      -5.047911     -6.166274      1.416978
  H      -4.654751     -7.782527      2.070713
  H      -2.232035     -4.009154      0.529508
  H      -3.889969     -4.610503      0.385324
  H      -1.612153     -5.565354      2.178405
  H      -2.508724     -6.526536      0.970085
  C      -3.850440     -1.768741      0.378736
  C      -3.482008     -2.074171      1.833671
  C      -2.132889     -1.410598      2.258115
  C      -0.904787     -2.073146      1.705833
  C      -0.282700     -3.107636      2.424177
  C       0.817750     -3.782513      1.900790
  C       1.331575     -3.443026      0.641328
  C       2.511290     -4.162321      0.080393
  Cl      4.087965     -3.362432      0.568502
  C       0.724959     -2.399552     -0.072377
  C      -0.374015     -1.723727      0.454260
  C      -7.947233     -5.454426      5.182262
  C      -7.109968     -4.553786      4.269807
  C      -7.906924     -4.096854      3.015014
  C      -9.081461     -3.224750      3.353416
  C     -10.394683     -3.717026      3.344850
  C     -11.469546     -2.906554      3.706386
  C     -11.261930     -1.574781      4.089238
  C     -12.408987     -0.707752      4.482412
  Cl    -12.738122     -0.795941      6.286483
  C      -9.951142     -1.075787      4.099124
  C      -8.880058     -1.887941      3.736091
  C      -0.578061     -4.458886      6.564410
  C      -2.071831     -4.248407      6.296044
  C      -2.953945     -4.629737      7.531747
  C      -3.171580     -6.102120      7.707185
  C      -2.277274     -6.909482      8.428135
  C      -2.448243     -8.291475      8.492306
  C      -3.528682     -8.908201      7.845478
  C      -3.691758    -10.388786      7.876756
  Cl     -2.905350    -11.178721      6.413871
  C      -4.447512     -8.103508      7.157921
  C      -4.271476     -6.723610      7.091080
  H      -4.817142     -2.227050      0.125162
  H      -3.938911     -0.682290      0.235739
  H      -3.098905     -2.139636     -0.331944
  H      -4.250295     -1.591070      2.461560
  H      -2.163831     -0.348852      1.962989
  H      -2.087242     -1.450945      3.357629
  H      -0.689143     -3.393138      3.397291
  H       1.288978     -4.583634      2.475992
  H       2.517999     -4.159327     -1.014970
  H       2.587062     -5.189891      0.452240
  H       1.118360     -2.119729     -1.053956
  H      -0.832158     -0.911680     -0.114746
  H      -8.850092     -4.924023      5.516164
  H      -8.271359     -6.372137      4.668573
  H      -7.369879     -5.741715      6.072560
  H      -6.854378     -3.641524      4.830427
  H      -7.199541     -3.544511      2.376890
  H      -8.246099     -4.980514      2.450392
  H     -10.573676     -4.753137      3.047077
  H     -12.485250     -3.309176      3.691963
  H     -12.218682      0.351943      4.281127
  H     -13.346442     -1.016593      4.007611
  H      -9.774832     -0.038310      4.393365
  H      -7.864626     -1.483282      3.742925
  H      -0.265952     -3.839464      7.417587
  H       0.019111     -4.157495      5.691221
  H      -0.330756     -5.502909      6.802346
  H      -2.224962     -3.165467      6.174527
  H      -3.925260     -4.135549      7.381018
  H      -2.489496     -4.195343      8.431608
  H      -1.432290     -6.446469      8.942951
  H      -1.733748     -8.904740      9.046661
  H      -4.741737    -10.697006      7.829956
  H      -3.203244    -10.847213      8.743082
  H      -5.304490     -8.568668      6.663753
  H      -4.985419     -6.108631      6.539061
  N      -4.495888     -2.772564      4.976690
  N      -4.230840     -1.503204      5.325466
  H      -3.923401     -0.872754      4.569755
  H      -4.934017     -1.068315      5.925964
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858922498322
  N      -3.511144     -3.503810      2.163530
  C      -3.076730     -4.424251      1.109416
  C      -2.604029     -5.732247      1.729327
  N      -3.510716     -6.140781      2.823857
  C      -4.781717     -6.717280      2.332893
  C      -5.881976     -6.514906      3.368190
  N      -5.827061     -5.148633      3.886552
  Mo     -4.066991     -4.218957      3.929308
  N      -2.542330     -4.881402      5.058107
  C      -1.907860     -6.146483      4.692472
  C      -2.844338     -6.986784      3.835344
  H      -1.654923     -6.747194      5.581826
  H      -0.950804     -5.977228      4.155456
  H      -3.629153     -7.406993      4.477845
  H      -2.302937     -7.826187      3.358892
  H      -6.848906     -6.723064      2.877223
  H      -5.787649     -7.262102      4.181542
  H      -5.050880     -6.169869      1.418533
  H      -4.655796     -7.785358      2.072922
  H      -2.236178     -4.012289      0.526530
  H      -3.894277     -4.613346      0.384740
  H      -1.613970     -5.568609      2.174383
  H      -2.513330     -6.529646      0.968090
  C      -3.856070     -1.769358      0.378757
  C      -3.483696     -2.076445      1.832396
  C      -2.135014     -1.411639      2.256255
  C      -0.905781     -2.072555      1.704446
  C      -0.284990     -3.108950      2.421206
  C       0.816341     -3.782560      1.898027
  C       1.334008     -3.438004      0.641562
  C       2.515892     -4.154355      0.081407
  Cl      4.090484     -3.355184      0.577364
  C       0.729796     -2.391500     -0.069640
  C      -0.371080     -1.718066      0.455971
  C      -7.946097     -5.454945      5.184185
  C      -7.109277     -4.555038      4.270257
  C      -7.906919     -4.100249      3.015070
  C      -9.080505     -3.226872      3.353425
  C     -10.394295     -3.717588      3.346165
  C     -11.468001     -2.905577      3.707576
  C     -11.258654     -1.573747      4.089315
  C     -12.404465     -0.705091      4.482464
  Cl    -12.732084     -0.790748      6.286970
  C      -9.947298     -1.076241      4.097764
  C      -8.877374     -1.889956      3.734842
  C      -0.576416     -4.462407      6.562968
  C      -2.069434     -4.249591      6.292866
  C      -2.953062     -4.628927      7.527929
  C      -3.172226     -6.100883      7.704419
  C      -2.279776     -6.907779      8.428221
  C      -2.452033     -8.289466      8.494537
  C      -3.532082     -8.906275      7.847095
  C      -3.697011    -10.386521      7.881608
  Cl     -2.907111    -11.181349      6.423308
  C      -4.448777     -8.102016      7.156203
  C      -4.271352     -6.722431      7.087084
  H      -4.823990     -2.226612      0.127612
  H      -3.944270     -0.682684      0.237037
  H      -3.107185     -2.139731     -0.334797
  H      -4.251080     -1.594358      2.462269
  H      -2.166658     -0.349880      1.961568
  H      -2.089607     -1.452007      3.355821
  H      -0.694217     -3.397991      3.392154
  H       1.285991     -4.585738      2.471662
  H       2.525837     -4.147055     -1.013900
  H       2.591414     -5.183346      0.449343
  H       1.129331     -2.104553     -1.045667
  H      -0.826884     -0.903155     -0.110831
  H      -8.850505     -4.925880      5.515867
  H      -8.267460     -6.374649      4.672399
  H      -7.368837     -5.739302      6.075564
  H      -6.854046     -3.641932      4.829560
  H      -7.199885     -3.549142      2.375454
  H      -8.246914     -4.984834      2.452404
  H     -10.574744     -4.753220      3.048704
  H     -12.484203     -3.306943      3.693627
  H     -12.213332      0.354180      4.279751
  H     -13.342659     -1.013546      4.008882
  H      -9.769545     -0.038643      4.390706
  H      -7.861569     -1.486230      3.740509
  H      -0.263579     -3.841469      7.414733
  H       0.022081     -4.164725      5.689462
  H      -0.331683     -5.506381      6.803800
  H      -2.221051     -3.166396      6.170938
  H      -3.923687     -4.133809      7.375886
  H      -2.489340     -4.194310      8.428049
  H      -1.435310     -6.444542      8.943715
  H      -1.739100     -8.902353      9.051311
  H      -4.747232    -10.693580      7.832486
  H      -3.211573    -10.843281      8.750527
  H      -5.305387     -8.567407      6.661571
  H      -4.983677     -6.107815      6.532620
  N      -4.495055     -2.775178      4.977521
  N      -4.232744     -1.506061      5.329732
  H      -3.921155     -0.874215      4.576862
  H      -4.939062     -1.073035      5.927849
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858927022077
  N      -3.510473     -3.503878      2.160517
  C      -3.076451     -4.424686      1.106450
  C      -2.605040     -5.733137      1.726339
  N      -3.511801     -6.141126      2.821091
  C      -4.783071     -6.717322      2.330233
  C      -5.883183     -6.514614      3.365487
  N      -5.828026     -5.148190      3.883639
  Mo     -4.067688     -4.218929      3.925820
  N      -2.542762     -4.880758      5.054785
  C      -1.909143     -6.146680      4.690096
  C      -2.845772     -6.987032      3.833039
  H      -1.656901     -6.747233      5.579763
  H      -0.951861     -5.978421      4.153170
  H      -3.630813     -7.406684      4.475703
  H      -2.304703     -7.826862      3.356981
  H      -6.850097     -6.722985      2.874490
  H      -5.788881     -7.261578      4.179004
  H      -5.052044     -6.169687      1.415952
  H      -4.657604     -7.785455      2.070199
  H      -2.235382     -4.013430      0.523672
  H      -3.894007     -4.612957      0.381513
  H      -1.614710     -5.570777      2.171307
  H      -2.515393     -6.530424      0.964923
  C      -3.851713     -1.767534      0.376656
  C      -3.481168     -2.076305      1.830371
  C      -2.132217     -1.413857      2.255802
  C      -0.902782     -2.075555      1.705335
  C      -0.284912     -3.114863      2.420629
  C       0.816804     -3.788244      1.897977
  C       1.338771     -3.439455      0.644479
  C       2.521709     -4.154843      0.085296
  Cl      4.095640     -3.359113      0.589074
  C       0.738208     -2.389453     -0.064600
  C      -0.363871     -1.717069      0.459862
  C      -7.944267     -5.454704      5.185933
  C      -7.109930     -4.555075      4.269362
  C      -7.910408     -4.101427      3.015452
  C      -9.083872     -3.228767      3.356335
  C     -10.397400     -3.720187      3.351424
  C     -11.470984     -2.908653      3.714336
  C     -11.261710     -1.576673      4.095594
  C     -12.407310     -0.708576      4.490559
  Cl    -12.731733     -0.793894      6.295694
  C      -9.950621     -1.078455      4.101692
  C      -8.880815     -1.891763      3.737492
  C      -0.577355     -4.462434      6.560842
  C      -2.069790     -4.247977      6.289288
  C      -2.954567     -4.625689      7.523777
  C      -3.173675     -6.097374      7.701612
  C      -2.281641     -6.903413      8.426888
  C      -2.453764     -8.285065      8.494464
  C      -3.533374     -8.902582      7.846895
  C      -3.698744    -10.382640      7.883571
  Cl     -2.906465    -11.180247      6.428070
  C      -4.449309     -8.099131      7.154075
  C      -4.271858     -6.719713      7.083556
  H      -4.820464     -2.222475      0.124393
  H      -3.937410     -0.680517      0.235587
  H      -3.103069     -2.139007     -0.336594
  H      -4.248179     -1.594046      2.460252
  H      -2.162139     -0.352033      1.961440
  H      -2.088251     -1.454512      3.355497
  H      -0.696550     -3.405954      3.390009
  H       1.283866     -4.594043      2.470042
  H       2.534956     -4.143450     -1.009930
  H       2.595171     -5.185319      0.449509
  H       1.143917     -2.096819     -1.035899
  H      -0.817521     -0.900005     -0.105624
  H      -8.848685     -4.926331      5.518599
  H      -8.265439     -6.375374      4.675767
  H      -7.365080     -5.737548      6.076581
  H      -6.853842     -3.641495      4.827525
  H      -7.205117     -3.550295      2.373975
  H      -8.251084     -4.986561      2.454123
  H     -10.577846     -4.755986      3.054202
  H     -12.486990     -3.310564      3.702011
  H     -12.217169      0.350767      4.287256
  H     -13.346164     -1.017715      4.018728
  H      -9.772908     -0.040672      4.393991
  H      -7.865312     -1.487273      3.741101
  H      -0.264311     -3.840621      7.411874
  H       0.022301     -4.167028      5.687369
  H      -0.334426     -5.506376      6.803499
  H      -2.220058     -3.164641      6.166602
  H      -3.925030     -4.130800      7.369850
  H      -2.491620     -4.190043      8.423797
  H      -1.437644     -6.439535      8.942581
  H      -1.741243     -8.897300      9.052479
  H      -4.748985    -10.689446      7.833183
  H      -3.214965    -10.838017      8.754141
  H      -5.305605     -8.565057      6.659361
  H      -4.983547     -6.105803      6.527551
  N      -4.495240     -2.774366      4.972921
  N      -4.233679     -1.505415      5.325044
  H      -3.925520     -0.872564      4.571565
  H      -4.938820     -1.073725      5.925430
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858928803494
  N      -3.511269     -3.505559      2.157740
  C      -3.076899     -4.426383      1.103707
  C      -2.605620     -5.734741      1.723926
  N      -3.512400     -6.142923      2.818632
  C      -4.783551     -6.719403      2.327584
  C      -5.884006     -6.516730      3.362480
  N      -5.828706     -5.150397      3.880886
  Mo     -4.068622     -4.220768      3.923001
  N      -2.543427     -4.881875      5.051975
  C      -1.909678     -6.147787      4.687502
  C      -2.846268     -6.988560      3.830760
  H      -1.657168     -6.748135      5.577230
  H      -0.952586     -5.979519      4.150259
  H      -3.631221     -7.408125      4.473539
  H      -2.305141     -7.828366      3.354788
  H      -6.850816     -6.724945      2.871179
  H      -5.789902     -7.263725      4.175997
  H      -5.052231     -6.171658      1.413271
  H      -4.657929     -7.787506      2.067553
  H      -2.235683     -4.015062      0.521112
  H      -3.894300     -4.614742      0.378652
  H      -1.615292     -5.572594      2.168969
  H      -2.516029     -6.531943      0.962368
  C      -3.850461     -1.769069      0.373346
  C      -3.481805     -2.077976      1.827455
  C      -2.133741     -1.415385      2.254753
  C      -0.903008     -2.076056      1.706099
  C      -0.285954     -3.116047      2.421114
  C       0.817325     -3.787738      1.899690
  C       1.341997     -3.436119      0.648133
  C       2.526743     -4.149762      0.090547
  Cl      4.099025     -3.353589      0.598864
  C       0.742302     -2.385394     -0.060587
  C      -0.361681     -1.715017      0.462456
  C      -7.944267     -5.456936      5.184366
  C      -7.110456     -4.557334      4.267366
  C      -7.911841     -4.103144      3.014263
  C      -9.084244     -3.229691      3.356940
  C     -10.398213     -3.719844      3.352602
  C     -11.470605     -2.907893      3.718148
  C     -11.259633     -1.576728      4.101249
  C     -12.403921     -0.708211      4.499050
  Cl    -12.725946     -0.795930      6.304483
  C      -9.948085     -1.079762      4.106682
  C      -8.879512     -1.893431      3.739779
  C      -0.577437     -4.463334      6.557289
  C      -2.069717     -4.247881      6.285642
  C      -2.954874     -4.623389      7.520514
  C      -3.174692     -6.094677      7.700461
  C      -2.283102     -6.900266      8.426757
  C      -2.456080     -8.281716      8.496235
  C      -3.536140     -8.899432      7.849603
  C      -3.702509    -10.379315      7.888333
  Cl     -2.910074    -11.179523      6.434325
  C      -4.451597     -8.096326      7.155767
  C      -4.273268     -6.717158      7.083372
  H      -4.819016     -2.223602      0.119748
  H      -3.935362     -0.682021      0.232125
  H      -3.100778     -2.140971     -0.338640
  H      -4.249432     -1.595837      2.456441
  H      -2.163813     -0.353709      1.959812
  H      -2.091242     -1.455484      3.354549
  H      -0.698919     -3.408507      3.389492
  H       1.283604     -4.594353      2.471207
  H       2.542331     -4.136872     -1.004622
  H       2.600141     -5.180695      0.453472
  H       1.151420     -2.089811     -1.029540
  H      -0.815384     -0.897991     -0.103022
  H      -8.848637     -4.928686      5.517310
  H      -8.265424     -6.377723      4.674391
  H      -7.364710     -5.739676      6.074760
  H      -6.853841     -3.643965      4.825682
  H      -7.206984     -3.552230      2.372181
  H      -8.253815     -4.987934      2.453207
  H     -10.579971     -4.755156      3.054108
  H     -12.486959     -3.308907      3.706630
  H     -12.213096      0.351262      4.297094
  H     -13.343685     -1.015817      4.028038
  H      -9.769025     -0.042704      4.400661
  H      -7.863616     -1.489975      3.743124
  H      -0.263548     -3.839872      7.406793
  H       0.022416     -4.170667      5.683036
  H      -0.335757     -5.506956      6.802401
  H      -2.218893     -3.164593      6.161553
  H      -3.925017     -4.128236      7.365550
  H      -2.491691     -4.186651      8.419888
  H      -1.438905     -6.436186      8.941892
  H      -1.743902     -8.893623      9.055009
  H      -4.752943    -10.685426      7.837916
  H      -3.219506    -10.833777      8.759809
  H      -5.308293     -8.562317      6.661836
  H      -4.984577     -6.103577      6.526546
  N      -4.496654     -2.776112      4.970024
  N      -4.235291     -1.507085      5.322034
  H      -3.927177     -0.874162      4.568595
  H      -4.940461     -1.075418      5.922453
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858929418883
  N      -3.512487     -3.507883      2.156014
  C      -3.076786     -4.428825      1.102602
  C      -2.605392     -5.736640      1.723921
  N      -3.512806     -6.144950      2.818067
  C      -4.783561     -6.721793      2.326368
  C      -5.884821     -6.519319      3.360495
  N      -5.829610     -5.153221      3.879430
  Mo     -4.070021     -4.222669      3.921469
  N      -2.545056     -4.882743      5.051257
  C      -1.910897     -6.148618      4.687610
  C      -2.847000     -6.990004      3.830910
  H      -1.658559     -6.748544      5.577683
  H      -0.953652     -5.980471      4.150581
  H      -3.632162     -7.409394      4.473533
  H      -2.305498     -7.829889      3.355511
  H      -6.851313     -6.727166      2.868397
  H      -5.791380     -7.266598      4.173869
  H      -5.051692     -6.174044      1.411878
  H      -4.657581     -7.789862      2.066413
  H      -2.235252     -4.017295      0.520610
  H      -3.893465     -4.617949      0.376962
  H      -1.615500     -5.573857      2.169688
  H      -2.514736     -6.534048      0.962643
  C      -3.850999     -1.772289      0.370600
  C      -3.483632     -2.080372      1.825195
  C      -2.136457     -1.416809      2.253568
  C      -0.904571     -2.076103      1.705871
  C      -0.287310     -3.116083      2.420682
  C       0.817453     -3.785906      1.900010
  C       1.343361     -3.432350      0.649510
  C       2.529685     -4.144181      0.092947
  Cl      4.100419     -3.346273      0.603401
  C       0.743273     -2.381778     -0.059122
  C      -0.362256     -1.713341      0.463166
  C      -7.945482     -5.460468      5.182434
  C      -7.111343     -4.560332      4.266349
  C      -7.912656     -4.104652      3.013812
  C      -9.083425     -3.229427      3.357671
  C     -10.398366     -3.716900      3.352397
  C     -11.469146     -2.903243      3.718982
  C     -11.255479     -1.573069      4.103995
  C     -12.398031     -0.702727      4.502796
  Cl    -12.720368     -0.792072      6.308120
  C      -9.942904     -1.078795      4.110375
  C      -8.875973     -1.894132      3.742457
  C      -0.579248     -4.462592      6.556426
  C      -2.071567     -4.247629      6.284485
  C      -2.956932     -4.622572      7.519407
  C      -3.175700     -6.093878      7.700559
  C      -2.283730     -6.898462      8.427506
  C      -2.455755     -8.280010      8.497629
  C      -3.535170     -8.898860      7.850986
  C      -3.700394    -10.378872      7.890188
  Cl     -2.906176    -11.178931      6.437036
  C      -4.451110     -8.096735      7.156651
  C      -4.273748     -6.717467      7.083660
  H      -4.818868     -2.227665      0.116010
  H      -3.936418     -0.685372      0.228832
  H      -3.099957     -2.144002     -0.340112
  H      -4.252094     -1.598371      2.453307
  H      -2.167325     -0.355225      1.958163
  H      -2.094674     -1.456451      3.353395
  H      -0.700818     -3.409682      3.388483
  H       1.283877     -4.592695      2.471173
  H       2.546517     -4.130821     -1.002204
  H       2.603925     -5.175176      0.455528
  H       1.153687     -2.084837     -1.027179
  H      -0.816627     -0.896666     -0.102291
  H      -8.849817     -4.932186      5.515470
  H      -8.266736     -6.380809      4.671661
  H      -7.366357     -5.744027      6.072833
  H      -6.854463     -3.647551      4.825510
  H      -7.207337     -3.554445      2.371630
  H      -8.256325     -4.988644      2.452494
  H     -10.582201     -4.751338      3.052249
  H     -12.486332     -3.302140      3.706823
  H     -12.205010      0.356615      4.302241
  H     -13.338407     -1.007810      4.031361
  H      -9.761784     -0.042533      4.405920
  H      -7.859201     -1.492867      3.746551
  H      -0.265666     -3.838518      7.405612
  H       0.020725     -4.170297      5.682126
  H      -0.337463     -5.506016      6.802270
  H      -2.220835     -3.164477      6.159476
  H      -3.927350     -4.128326      7.363351
  H      -2.494359     -4.184581      8.418499
  H      -1.440023     -6.433519      8.942674
  H      -1.743220     -8.891147      9.056801
  H      -4.750554    -10.685807      7.839065
  H      -3.217766    -10.832659      8.762232
  H      -5.307381     -8.563514      6.662724
  H      -4.985374     -6.104702      6.526332
  N      -4.499206     -2.777997      4.968119
  N      -4.239215     -1.508805      5.320486
  H      -3.932603     -0.875156      4.567060
  H      -4.944633     -1.078231      5.921421
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858929924813
  N      -3.513515     -3.510098      2.154366
  C      -3.076530     -4.431095      1.101560
  C      -2.605050     -5.738497      1.723769
  N      -3.513040     -6.146839      2.817433
  C      -4.783323     -6.724077      2.325086
  C      -5.885362     -6.521941      3.358506
  N      -5.830296     -5.156130      3.878119
  Mo     -4.071321     -4.224469      3.919955
  N      -2.546528     -4.883487      5.050478
  C      -1.911931     -6.149305      4.687655
  C      -2.847561     -6.991276      3.831001
  H      -1.659834     -6.748794      5.578107
  H      -0.954498     -5.981265      4.150921
  H      -3.633014     -7.410442      4.473406
  H      -2.305657     -7.831289      3.356265
  H      -6.851523     -6.729248      2.865544
  H      -5.792662     -7.269637      4.171616
  H      -5.050990     -6.176367      1.410423
  H      -4.656882     -7.792103      2.065204
  H      -2.234654     -4.019336      0.520255
  H      -3.892471     -4.620840      0.375271
  H      -1.615507     -5.575263      2.170117
  H      -2.513557     -6.536086      0.962744
  C      -3.851457     -1.775128      0.368193
  C      -3.485204     -2.082600      1.823216
  C      -2.138954     -1.417955      2.252669
  C      -0.906043     -2.075844      1.705553
  C      -0.288394     -3.115731      2.420111
  C       0.817707     -3.783776      1.899982
  C       1.344442     -3.428546      0.650292
  C       2.532293     -4.138509      0.094589
  Cl      4.101439     -3.338445      0.606527
  C       0.743735     -2.378234     -0.058219
  C      -0.363089     -1.711565      0.463569
  C      -7.946664     -5.464565      5.180206
  C      -7.112102     -4.563561      4.265441
  C      -7.913162     -4.106215      3.013402
  C      -9.082336     -3.229209      3.358262
  C     -10.398266     -3.713965      3.351683
  C     -11.467466     -2.898747      3.719503
  C     -11.251129     -1.569743      4.107017
  C     -12.391971     -0.697752      4.507135
  Cl    -12.714719     -0.789444      6.312273
  C      -9.937523     -1.078188      4.114681
  C      -8.872206     -1.895028      3.745482
  C      -0.581213     -4.461983      6.556029
  C      -2.073497     -4.247482      6.283432
  C      -2.959401     -4.621809      7.518170
  C      -3.177217     -6.093118      7.700475
  C      -2.285219     -6.896577      8.428627
  C      -2.456407     -8.278182      8.499675
  C      -3.534929     -8.898277      7.852745
  C      -3.699130    -10.378394      7.892877
  Cl     -2.902559    -11.178983      6.441301
  C      -4.450991     -8.097279      7.157256
  C      -4.274517     -6.717920      7.083420
  H      -4.818532     -2.231569      0.112601
  H      -3.937776     -0.688327      0.226167
  H      -3.099077     -2.146193     -0.341465
  H      -4.254562     -1.600825      2.450479
  H      -2.170699     -0.356388      1.957163
  H      -2.097763     -1.457524      3.352497
  H      -0.702404     -3.410501      3.387342
  H       1.284547     -4.590534      2.470857
  H       2.550090     -4.124947     -1.000549
  H       2.607660     -5.169451      0.457090
  H       1.154707     -2.080474     -1.025812
  H      -0.817949     -0.894968     -0.101611
  H      -8.850958     -4.936312      5.513452
  H      -8.268057     -6.384233      4.668297
  H      -7.368048     -5.749258      6.070574
  H      -6.855158     -3.651488      4.825710
  H      -7.207253     -3.556677      2.371264
  H      -8.258492     -4.989288      2.451635
  H     -10.584126     -4.747484      3.049680
  H     -12.485475     -3.295521      3.706452
  H     -12.196750      0.361526      4.308379
  H     -13.332912     -1.000120      4.035078
  H      -9.754368     -0.042863      4.412266
  H      -7.854546     -1.496012      3.750749
  H      -0.268138     -3.837306      7.404973
  H       0.019085     -4.170069      5.681833
  H      -0.339385     -5.505213      6.802662
  H      -2.222857     -3.164444      6.157548
  H      -3.930035     -4.128428      7.360778
  H      -2.497732     -4.182523      8.417099
  H      -1.442222     -6.430710      8.944129
  H      -1.743853     -8.888429      9.059804
  H      -4.749012    -10.686102      7.840700
  H      -3.217287    -10.831215      8.765860
  H      -5.306635     -8.564946      6.663083
  H      -4.986277     -6.106026      6.525289
  N      -4.501563     -2.779695      4.966105
  N      -4.241933     -1.510158      5.317796
  H      -3.935491     -0.876821      4.564045
  H      -4.947537     -1.079388      5.918384
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858930139177
  N      -3.514335     -3.512253      2.152789
  C      -3.075951     -4.433274      1.100651
  C      -2.604396     -5.740290      1.723676
  N      -3.513011     -6.148565      2.816850
  C      -4.782740     -6.726239      2.323749
  C      -5.885598     -6.524597      3.356438
  N      -5.830818     -5.159107      3.876835
  Mo     -4.072503     -4.226187      3.918454
  N      -2.547779     -4.883956      5.049702
  C      -1.912902     -6.149907      4.687974
  C      -2.847998     -6.992392      3.831235
  H      -1.661361     -6.748924      5.578915
  H      -0.955119     -5.982180      4.151765
  H      -3.633880     -7.411226      4.473340
  H      -2.305725     -7.832633      3.357301
  H      -6.851354     -6.731339      2.862448
  H      -5.793732     -7.272815      4.169175
  H      -5.049998     -6.178609      1.408919
  H      -4.655734     -7.794216      2.063933
  H      -2.233711     -4.021268      0.520065
  H      -3.891092     -4.623621      0.373619
  H      -1.615202     -5.576630      2.170619
  H      -2.512102     -6.538094      0.962969
  C      -3.851775     -1.777830      0.365929
  C      -3.486559     -2.084736      1.821365
  C      -2.141247     -1.418955      2.251869
  C      -0.907437     -2.075485      1.705060
  C      -0.289185     -3.115145      2.419405
  C       0.818095     -3.781560      1.899655
  C       1.345258     -3.425001      0.650510
  C       2.534579     -4.133043      0.095485
  Cl      4.102100     -3.330370      0.608248
  C       0.743738     -2.375066     -0.057887
  C      -0.364159     -1.709962      0.463579
  C      -7.947787     -5.469188      5.177746
  C      -7.112769     -4.567038      4.264547
  C      -7.913513     -4.107826      3.013005
  C      -9.081071     -3.229075      3.359001
  C     -10.398018     -3.711024      3.351058
  C     -11.465613     -2.894183      3.720017
  C     -11.246552     -1.566385      4.110093
  C     -12.385651     -0.692695      4.511494
  Cl    -12.708919     -0.786736      6.316422
  C      -9.931893     -1.077631      4.119102
  C      -8.868207     -1.896053      3.748762
  C      -0.583331     -4.461244      6.556108
  C      -2.075491     -4.247184      6.282553
  C      -2.962085     -4.621044      7.516935
  C      -3.178985     -6.092353      7.700265
  C      -2.287006     -6.894656      8.429709
  C      -2.457348     -8.276312      8.501712
  C      -3.534946     -8.897662      7.854458
  C      -3.698220    -10.377852      7.895735
  Cl     -2.899197    -11.179324      6.446006
  C      -4.451029     -8.097829      7.157642
  C      -4.275438     -6.718392      7.082899
  H      -4.817994     -2.235537      0.109400
  H      -3.939339     -0.691145      0.223780
  H      -3.098151     -2.147964     -0.342900
  H      -4.256881     -1.603290      2.447769
  H      -2.173885     -0.357337      1.956640
  H      -2.100602     -1.458845      3.351686
  H      -0.703571     -3.410971      3.386163
  H       1.285624     -4.588020      2.470395
  H       2.553028     -4.119518     -0.999646
  H       2.611407     -5.163827      0.458125
  H       1.154780     -2.076739     -1.025271
  H      -0.819421     -0.893333     -0.101238
  H      -8.852060     -4.941074      5.511321
  H      -8.269299     -6.388040      4.664466
  H      -7.369688     -5.755223      6.068031
  H      -6.855943     -3.655765      4.826143
  H      -7.206986     -3.558878      2.371009
  H      -8.260499     -4.989881      2.450656
  H     -10.585953     -4.743556      3.047091
  H     -12.484476     -3.288731      3.705883
  H     -12.188165      0.366502      4.314551
  H     -13.327142     -0.992284      4.038759
  H      -9.746674     -0.043244      4.418670
  H      -7.849654     -1.499326      3.755168
  H      -0.270979     -3.836234      7.405078
  H       0.017459     -4.169407      5.682233
  H      -0.341440     -5.504352      6.803222
  H      -2.225015     -3.164235      6.155973
  H      -3.932923     -4.128521      7.358143
  H      -2.501483     -4.180533      8.415806
  H      -1.444711     -6.427861      8.945528
  H      -1.744839     -8.885637      9.062907
  H      -4.747837    -10.686273      7.842448
  H      -3.217269    -10.829581      8.769776
  H      -5.305999     -8.566427      6.663183
  H      -4.987259     -6.107387      6.523869
  N      -4.503923     -2.781335      4.964030
  N      -4.245381     -1.511461      5.315499
  H      -3.939325     -0.878028      4.561667
  H      -4.951453     -1.081081      5.915834
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858930524313
  N      -3.514744     -3.513357      2.151818
  C      -3.075549     -4.434326      1.100011
  C      -2.603905     -5.741178      1.723330
  N      -3.512792     -6.149432      2.816296
  C      -4.782151     -6.727502      2.322775
  C      -5.885488     -6.526296      3.355068
  N      -5.830988     -5.161008      3.876003
  Mo     -4.073159     -4.227176      3.917422
  N      -2.548267     -4.883970      5.048956
  C      -1.913237     -6.150063      4.687944
  C      -2.847999     -6.992874      3.831149
  H      -1.662103     -6.748785      5.579202
  H      -0.955219     -5.982535      4.152103
  H      -3.634131     -7.411501      4.473095
  H      -2.305523     -7.833272      3.357721
  H      -6.850965     -6.732726      2.860390
  H      -5.794132     -7.274879      4.167514
  H      -5.049301     -6.179982      1.407855
  H      -4.654688     -7.795439      2.062995
  H      -2.233152     -4.022129      0.519789
  H      -3.890253     -4.624966      0.372555
  H      -1.614847     -5.577363      2.170524
  H      -2.511301     -6.539072      0.962771
  C      -3.851710     -1.778926      0.364762
  C      -3.487103     -2.085778      1.820384
  C      -2.142353     -1.419492      2.251714
  C      -0.908094     -2.075277      1.704959
  C      -0.289507     -3.114873      2.419121
  C       0.818304     -3.780504      1.899469
  C       1.345603     -3.423271      0.650571
  C       2.535664     -4.130251      0.095771
  Cl      4.102308     -3.325998      0.608701
  C       0.743665     -2.373463     -0.057663
  C      -0.364689     -1.709084      0.463728
  C      -7.948390     -5.472320      5.176024
  C      -7.113073     -4.569329      4.263896
  C      -7.913573     -4.108864      3.012651
  C      -9.080215     -3.229189      3.359464
  C     -10.397750     -3.709503      3.350719
  C     -11.464403     -2.891804      3.720536
  C     -11.243758     -1.564782      4.112333
  C     -12.381826     -0.690207      4.514745
  Cl    -12.705224     -0.785932      6.319551
  C      -9.928496     -1.077645      4.122121
  C      -8.865767     -1.896904      3.750917
  C      -0.584606     -4.460696      6.556235
  C      -2.076620     -4.246817      6.281865
  C      -2.963812     -4.620377      7.515907
  C      -3.180331     -6.091649      7.699872
  C      -2.288536     -6.893219      8.430346
  C      -2.458497     -8.274876      8.503123
  C      -3.535515     -8.896969      7.855622
  C      -3.698450    -10.377159      7.897923
  Cl     -2.897821    -11.179703      6.449686
  C      -4.451388     -8.097868      7.157684
  C      -4.276199     -6.718420      7.082192
  H      -4.817421     -2.237394      0.107654
  H      -3.940177     -0.692281      0.222809
  H      -3.097460     -2.148276     -0.343799
  H      -4.258028     -1.604599      2.446276
  H      -2.175409     -0.357747      1.957065
  H      -2.102123     -1.460017      3.351521
  H      -0.704130     -3.411302      3.385599
  H       1.286249     -4.586773      2.470139
  H       2.554298     -4.116794     -0.999358
  H       2.613434     -5.160928      0.458517
  H       1.154596     -2.074775     -1.024976
  H      -0.820051     -0.892316     -0.100808
  H      -8.852653     -4.944366      5.509900
  H      -8.269967     -6.390598      4.661779
  H      -7.370563     -5.759296      6.066189
  H      -6.856434     -3.658600      4.826449
  H      -7.206696     -3.560129      2.370845
  H      -8.261482     -4.990257      2.449845
  H     -10.586899     -4.741419      3.045452
  H     -12.483754     -3.285062      3.705725
  H     -12.183075      0.368978      4.319005
  H     -13.323664     -0.988121      4.041640
  H      -9.742074     -0.043854      4.423001
  H      -7.846713     -1.501474      3.757976
  H      -0.272754     -3.835508      7.405254
  H       0.016612     -4.168971      5.682620
  H      -0.342764     -5.503742      6.803658
  H      -2.226232     -3.163909      6.154948
  H      -3.934715     -4.128277      7.356189
  H      -2.503956     -4.179175      8.414817
  H      -1.446683     -6.425867      8.946382
  H      -1.746172     -8.883614      9.065189
  H      -4.747947    -10.685861      7.843884
  H      -3.218241    -10.828058      8.772801
  H      -5.305910     -8.567057      6.663006
  H      -4.987877     -6.107968      6.522380
  N      -4.505287     -2.782277      4.962641
  N      -4.247362     -1.512150      5.313720
  H      -3.941408     -0.878825      4.559747
  H      -4.953679     -1.081904      5.913861
96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655535-9E2N/orca E -7204.858930764586
  N      -3.514963     -3.513910      2.151132
  C      -3.075222     -4.434812      1.099499
  C      -2.603436     -5.741549      1.722939
  N      -3.512452     -6.149840      2.815793
  C      -4.781561     -6.728240      2.322017
  C      -5.885183     -6.527441      3.354102
  N      -5.830926     -5.162318      3.875502
  Mo     -4.073472     -4.227751      3.916661
  N      -2.548336     -4.883767      5.048294
  C      -1.913254     -6.150015      4.687792
  C      -2.847773     -6.993036      3.830927
  H      -1.662439     -6.748543      5.579267
  H      -0.955062     -5.982620      4.152226
  H      -3.634036     -7.411555      4.472791
  H      -2.305178     -7.833526      3.357806
  H      -6.850466     -6.733704      2.858957
  H      -5.794141     -7.276312      4.166302
  H      -5.048735     -6.180780      1.407075
  H      -4.653739     -7.796130      2.062207
  H      -2.232801     -4.022435      0.519430
  H      -3.889678     -4.625664      0.371807
  H      -1.614465     -5.577592      2.170285
  H      -2.510635     -6.539491      0.962471
  C      -3.851556     -1.779403      0.363998
  C      -3.487334     -2.086280      1.819713
  C      -2.142929     -1.419816      2.251666
  C      -0.908422     -2.075175      1.704939
  C      -0.289584     -3.114669      2.419050
  C       0.818470     -3.779938      1.899443
  C       1.345762     -3.422462      0.650616
  C       2.536162     -4.128901      0.095854
  Cl      4.102358     -3.323605      0.608516
  C       0.743559     -2.372772     -0.057558
  C      -0.365006     -1.708715      0.463790
  C      -7.948713     -5.474609      5.174705
  C      -7.113109     -4.570927      4.263479
  C      -7.913315     -4.109368      3.012437
  C      -9.079471     -3.229288      3.359897
  C     -10.397340     -3.708648      3.350517
  C     -11.463469     -2.890542      3.720953
  C     -11.241933     -1.564063      4.114071
  C     -12.379425     -0.689076      4.517222
  Cl    -12.702974     -0.786214      6.321916
  C      -9.926327     -1.077863      4.124485
  C      -8.864132     -1.897520      3.752661
  C      -0.585350     -4.460278      6.556341
  C      -2.077229     -4.246429      6.281327
  C      -2.964920     -4.619798      7.515063
  C      -3.181356     -6.091013      7.699458
  C      -2.289780     -6.892148      8.430687
  C      -2.459646     -8.273785      8.504077
  C      -3.536363     -8.896272      7.856443
  C      -3.699308    -10.376425      7.899582
  Cl     -2.897732    -11.179992      6.452440
  C      -4.451958     -8.097593      7.157660
  C      -4.276869     -6.718175      7.081561
  H      -4.816935     -2.238411      0.106558
  H      -3.940745     -0.692783      0.222257
  H      -3.096981     -2.148166     -0.344513
  H      -4.258659     -1.605296      2.445259
  H      -2.176155     -0.357933      1.957595
  H      -2.103038     -1.460967      3.351469
  H      -0.704289     -3.411330      3.385428
  H       1.286668     -4.586041      2.470139
  H       2.554708     -4.115622     -0.999277
  H       2.614582     -5.159468      0.458768
  H       1.154363     -2.073813     -1.024843
  H      -0.820452     -0.891954     -0.100689
  H      -8.852956     -4.946806      5.508875
  H      -8.270346     -6.392400      4.659636
  H      -7.371065     -5.762405      6.064725
  H      -6.856639     -3.660670      4.826876
  H      -7.206173     -3.560559      2.370990
  H      -8.261671     -4.990246      2.449110
  H     -10.587183     -4.740130      3.044211
  H     -12.483099     -3.283045      3.705577
  H     -12.179944      0.370149      4.322442
  H     -13.321440     -0.985915      4.043790
  H      -9.739226     -0.044488      4.426368
  H      -7.844797     -1.502825      3.760199
  H      -0.273826     -3.835054      7.405448
  H       0.016205     -4.168612      5.682936
  H      -0.343589     -5.503309      6.803892
  H      -2.226863     -3.163538      6.154259
  H      -3.935814     -4.127877      7.354715
  H      -2.505575     -4.178222      8.414050
  H      -1.448164     -6.424482      8.946825
  H      -1.747520     -8.882177      9.066765
  H      -4.748777    -10.685144      7.845081
  H      -3.219662    -10.826738      8.775071
  H      -5.306227     -8.567128      6.662867
  H      -4.988317     -6.108051      6.521102
  N      -4.506150     -2.782874      4.961668
  N      -4.248957     -1.512571      5.312575
  H      -3.943222     -0.879171      4.558566
  H      -4.955506     -1.082675      5.912692
