114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.408311728721
  N      -2.624290     -3.625559      2.676989
  C      -1.967780     -4.624053      1.856879
  C      -2.337717     -6.032804      2.302524
  N      -3.740688     -6.076285      2.665645
  C      -4.597986     -5.971560      1.503359
  C      -5.995413     -5.532911      1.922124
  N      -5.951438     -4.513146      2.953075
  Mo     -4.108438     -4.404432      3.871636
  N      -3.243076     -5.670280      5.225182
  C      -3.364674     -7.062996      4.857138
  C      -4.048637     -7.224521      3.494989
  H      -3.948654     -7.637534      5.601824
  H      -2.381130     -7.559996      4.794693
  H      -5.130833     -7.249585      3.630713
  H      -3.733505     -8.168434      3.018980
  H      -6.493218     -5.171534      1.007048
  H      -6.568295     -6.422309      2.249661
  H      -4.179052     -5.195760      0.860651
  H      -4.641445     -6.918009      0.938152
  H      -0.869541     -4.551864      1.928285
  H      -2.209368     -4.506354      0.784123
  H      -1.764224     -6.264298      3.198454
  H      -2.094808     -6.770575      1.519997
  C      -2.446742     -2.284469      2.128772
  C      -0.988859     -1.974836      1.701907
  C       0.060289     -2.104019      2.805311
  C       1.457693     -1.823432      2.250962
  C       2.562541     -2.067275      3.264261
  Cl      2.786220     -3.823436      3.565367
  C      -2.917524     -1.260635      3.169534
  C      -3.000260      0.177135      2.665179
  C      -3.953837      0.267899      1.479941
  C      -3.513474     -0.687379      0.377574
  C      -3.378398     -2.117696      0.893109
  C      -7.290861     -4.215066      3.437794
  C      -7.790620     -5.342318      4.398315
  C      -6.823625     -5.587490      5.550992
  C      -6.935166     -6.989906      6.149261
  C      -8.269684     -7.191937      6.848275
  Cl     -8.340613     -8.810373      7.623813
  C      -7.336365     -2.891117      4.219080
  C      -6.984379     -1.707715      3.325795
  C      -7.999617     -1.575302      2.196655
  C      -8.044393     -2.875052      1.401839
  C      -8.358566     -4.051226      2.322991
  C      -2.595875     -5.436249      6.516107
  C      -3.696084     -5.495300      7.616136
  C      -3.318854     -5.053679      9.028533
  C      -4.528400     -5.120361      9.962399
  C      -4.198146     -4.684916     11.379869
  Cl     -3.058667     -5.830054     12.168041
  C      -1.489758     -6.458850      6.872956
  C      -0.251525     -6.238224      6.009905
  C       0.448746     -4.932058      6.401219
  C      -0.529722     -3.971795      7.077919
  C      -1.923011     -4.041082      6.456398
  H      -0.712317     -2.626595      0.870603
  H      -0.954630     -0.954983      1.319585
  H       0.027796     -3.104477      3.237704
  H      -0.147930     -1.391368      3.603959
  H       1.638861     -2.442747      1.369391
  H       1.519204     -0.777390      1.939485
  H       2.331764     -1.616708      4.228879
  H       3.523936     -1.703699      2.902493
  H      -3.917758     -1.586253      3.448002
  H      -2.266745     -1.315666      4.042877
  H      -2.015144      0.545825      2.374398
  H      -3.359732      0.817722      3.474721
  H      -3.985331      1.290525      1.095504
  H      -4.960552      0.000538      1.805942
  H      -2.561235     -0.351182     -0.039157
  H      -4.244089     -0.672607     -0.436579
  H      -3.021119     -2.742954      0.070999
  H      -4.360332     -2.495223      1.198292
  H      -8.776768     -5.065193      4.774950
  H      -7.912103     -6.263083      3.822734
  H      -7.003683     -4.859239      6.344256
  H      -5.795850     -5.429593      5.163861
  H      -6.133715     -7.137383      6.874673
  H      -6.821576     -7.744602      5.367736
  H      -9.103441     -7.152284      6.149555
  H      -8.415318     -6.463682      7.645445
  H      -6.657096     -2.961941      5.061668
  H      -8.348593     -2.758541      4.610189
  H      -6.956530     -0.783307      3.909219
  H      -5.997024     -1.894189      2.896662
  H      -7.731279     -0.744871      1.539138
  H      -8.989330     -1.366536      2.612651
  H      -7.074332     -3.030043      0.925704
  H      -8.801587     -2.812218      0.615144
  H      -8.472807     -4.968882      1.744008
  H      -9.320305     -3.866019      2.809493
  H      -4.532920     -4.885000      7.264240
  H      -4.046473     -6.529604      7.665085
  H      -2.539135     -5.701100      9.430810
  H      -2.935832     -4.032393      9.020457
  H      -4.924200     -6.137860      9.979623
  H      -5.316891     -4.459740      9.593363
  H      -3.708572     -3.711723     11.395714
  H      -5.087259     -4.666518     12.009234
  H      -1.856396     -7.481048      6.779443
  H      -1.210053     -6.328586      7.918065
  H      -0.553717     -6.182964      4.962812
  H       0.436676     -7.081670      6.109749
  H       1.279491     -5.137784      7.080806
  H       0.868156     -4.466992      5.508819
  H      -0.152293     -2.949793      6.992772
  H      -0.592197     -4.201436      8.143397
  H      -2.545676     -3.314855      6.976680
  H      -1.865461     -3.771228      5.394748
  N      -4.464246     -2.718375      5.123639
  H      -5.130202     -2.061212      4.719906
  H      -3.618729     -2.181576      5.311545
  H      -4.841320     -2.976392      6.034465
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.427813381196
  N      -2.607479     -3.605018      2.686201
  C      -1.947942     -4.599555      1.838963
  C      -2.286687     -6.016695      2.281527
  N      -3.698293     -6.076753      2.674088
  C      -4.581390     -5.954242      1.516289
  C      -5.972881     -5.520671      1.958530
  N      -5.927052     -4.504556      3.011390
  Mo     -4.064267     -4.399077      3.912181
  N      -3.182810     -5.682071      5.234015
  C      -3.290783     -7.087373      4.860086
  C      -3.990723     -7.246915      3.506499
  H      -3.862025     -7.677023      5.605903
  H      -2.298667     -7.574813      4.789077
  H      -5.076072     -7.282557      3.653853
  H      -3.673497     -8.190738      3.018048
  H      -6.480528     -5.148735      1.049308
  H      -6.546606     -6.414567      2.278849
  H      -4.167041     -5.167556      0.874786
  H      -4.631214     -6.894858      0.936033
  H      -0.845183     -4.513809      1.884285
  H      -2.212733     -4.477503      0.768384
  H      -1.690248     -6.255793      3.167422
  H      -2.049766     -6.746401      1.484104
  C      -2.436195     -2.255036      2.110757
  C      -0.980063     -1.968235      1.661016
  C       0.089389     -2.085392      2.749986
  C       1.483527     -1.827678      2.169375
  C       2.615434     -2.058790      3.158489
  Cl      2.850473     -3.816344      3.494088
  C      -2.887477     -1.194047      3.124307
  C      -2.982805      0.232071      2.584380
  C      -3.961081      0.282709      1.410572
  C      -3.534693     -0.700889      0.322266
  C      -3.383986     -2.118159      0.879315
  C      -7.300195     -4.219188      3.467156
  C      -7.866029     -5.349921      4.400443
  C      -7.028105     -5.622902      5.651926
  C      -7.217867     -7.025177      6.238216
  C      -8.620180     -7.214088      6.794859
  Cl     -8.800701     -8.836405      7.564412
  C      -7.409945     -2.887620      4.241552
  C      -7.028749     -1.684677      3.368548
  C      -7.975924     -1.578537      2.173369
  C      -7.951953     -2.885907      1.377318
  C      -8.299250     -4.069065      2.286387
  C      -2.531584     -5.435408      6.534037
  C      -3.630806     -5.525859      7.632079
  C      -3.271151     -5.094227      9.053868
  C      -4.487653     -5.193305      9.979275
  C      -4.195009     -4.770489     11.411174
  Cl     -3.044623     -5.901113     12.222862
  C      -1.402549     -6.441285      6.872525
  C      -0.168701     -6.180353      6.007738
  C       0.504050     -4.854329      6.416310
  C      -0.495566     -3.919055      7.112802
  C      -1.890713     -4.013341      6.491766
  H      -0.719544     -2.644184      0.834378
  H      -0.942831     -0.951441      1.249233
  H       0.054401     -3.083758      3.207225
  H      -0.099882     -1.352219      3.546454
  H       1.645135     -2.465906      1.289268
  H       1.547254     -0.780702      1.834251
  H       2.412150     -1.585527      4.125285
  H       3.573358     -1.702862      2.765789
  H      -3.887754     -1.504276      3.420382
  H      -2.225109     -1.229694      4.000824
  H      -1.997366      0.603735      2.266897
  H      -3.332928      0.895900      3.388445
  H      -4.012236      1.301012      0.998795
  H      -4.968971      0.010425      1.768852
  H      -2.586633     -0.366525     -0.124655
  H      -4.281925     -0.713288     -0.485373
  H      -3.036424     -2.774802      0.068809
  H      -4.366772     -2.489304      1.209785
  H      -8.885129     -5.060234      4.691666
  H      -7.951660     -6.274548      3.809960
  H      -7.275272     -4.886875      6.431450
  H      -5.964021     -5.489002      5.386435
  H      -6.493142     -7.183978      7.049000
  H      -7.030305     -7.786447      5.467987
  H      -9.381710     -7.163036      6.010759
  H      -8.841903     -6.478183      7.575499
  H      -6.788791     -2.947837      5.134681
  H      -8.452364     -2.776417      4.572866
  H      -7.057038     -0.754724      3.956761
  H      -6.004559     -1.834979      2.990579
  H      -7.686932     -0.735139      1.529899
  H      -8.999924     -1.389530      2.531436
  H      -6.947246     -3.026992      0.952995
  H      -8.665831     -2.837457      0.542207
  H      -8.367161     -4.997131      1.704064
  H      -9.296118     -3.897335      2.719308
  H      -4.482173     -4.924563      7.279317
  H      -3.968331     -6.573137      7.667882
  H      -2.475755     -5.733695      9.457061
  H      -2.902008     -4.058605      9.060971
  H      -4.870510     -6.223977      9.976764
  H      -5.289821     -4.538344      9.604662
  H      -3.725216     -3.781614     11.449814
  H      -5.100771     -4.774966     12.026059
  H      -1.752678     -7.474842      6.767810
  H      -1.123448     -6.318613      7.926833
  H      -0.478960     -6.120693      4.955249
  H       0.542835     -7.013117      6.091327
  H       1.347876     -5.049997      7.092770
  H       0.913552     -4.363022      5.524018
  H      -0.140130     -2.880945      7.042920
  H      -0.551314     -4.163585      8.182666
  H      -2.540256     -3.300572      7.019027
  H      -1.836426     -3.722434      5.431719
  N      -4.379094     -2.762269      5.303158
  H      -5.051942     -2.069341      4.967287
  H      -3.519624     -2.238952      5.496277
  H      -4.731746     -3.069846      6.219106
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.433547766989
  N      -2.621760     -3.615863      2.632384
  C      -1.946155     -4.614505      1.777592
  C      -2.260558     -6.034196      2.234274
  N      -3.683204     -6.111387      2.643101
  C      -4.588933     -6.004318      1.484672
  C      -5.979107     -5.577404      1.936546
  N      -5.931961     -4.534889      2.981044
  Mo     -4.066834     -4.399261      3.870148
  N      -3.202362     -5.660647      5.218145
  C      -3.280681     -7.084495      4.863901
  C      -3.968068     -7.278185      3.507624
  H      -3.848544     -7.676597      5.612261
  H      -2.276387     -7.554718      4.816227
  H      -5.058889     -7.321638      3.644079
  H      -3.638386     -8.231078      3.038823
  H      -6.498657     -5.227273      1.025087
  H      -6.544621     -6.469991      2.277234
  H      -4.180117     -5.224092      0.826417
  H      -4.637115     -6.953571      0.915005
  H      -0.842193     -4.515634      1.812896
  H      -2.215786     -4.501269      0.705695
  H      -1.655206     -6.266462      3.120940
  H      -2.019792     -6.769325      1.440107
  C      -2.450578     -2.244919      2.073207
  C      -0.989318     -1.961220      1.642281
  C       0.073419     -2.132964      2.731375
  C       1.479317     -1.878665      2.176822
  C       2.606644     -2.161458      3.157464
  Cl      2.823423     -3.939945      3.440680
  C      -2.900630     -1.205523      3.115016
  C      -2.990125      0.235611      2.605493
  C      -3.958803      0.320543      1.420215
  C      -3.534288     -0.644274      0.309151
  C      -3.392489     -2.076996      0.838802
  C      -7.301604     -4.234485      3.469953
  C      -7.845041     -5.366135      4.405122
  C      -6.972544     -5.664065      5.629638
  C      -7.146187     -7.072162      6.211091
  C      -8.530094     -7.270308      6.807468
  Cl     -8.699038     -8.905777      7.571015
  C      -7.340594     -2.906757      4.264963
  C      -6.952162     -1.695927      3.402266
  C      -7.922717     -1.551300      2.224299
  C      -7.972252     -2.853342      1.411403
  C      -8.327937     -4.041657      2.316080
  C      -2.564663     -5.391338      6.537529
  C      -3.672095     -5.487308      7.625049
  C      -3.313868     -5.072220      9.054505
  C      -4.526709     -5.163911      9.986537
  C      -4.243419     -4.751570     11.423112
  Cl     -3.101609     -5.892233     12.250672
  C      -1.438804     -6.402590      6.871006
  C      -0.197287     -6.136386      6.014973
  C       0.474402     -4.807644      6.439052
  C      -0.528786     -3.875630      7.145573
  C      -1.921585     -3.961916      6.514037
  H      -0.731357     -2.614293      0.790694
  H      -0.936188     -0.928872      1.255619
  H       0.016856     -3.150523      3.156475
  H      -0.111483     -1.427497      3.561537
  H       1.639805     -2.484887      1.268383
  H       1.564924     -0.816509      1.877506
  H       2.410507     -1.717051      4.143936
  H       3.574168     -1.803863      2.781108
  H      -3.911133     -1.518162      3.410312
  H      -2.243687     -1.267973      4.001237
  H      -1.995923      0.614905      2.303272
  H      -3.339357      0.886174      3.426585
  H      -4.007923      1.353282      1.032990
  H      -4.975144      0.045198      1.768306
  H      -2.578923     -0.301542     -0.129442
  H      -4.277375     -0.633846     -0.507959
  H      -3.046934     -2.729013      0.017907
  H      -4.383626     -2.448830      1.158186
  H      -8.858276     -5.067927      4.726935
  H      -7.959737     -6.287985      3.804401
  H      -7.178478     -4.925986      6.427479
  H      -5.913808     -5.542337      5.340039
  H      -6.393166     -7.242378      6.999445
  H      -6.978510     -7.828339      5.424534
  H      -9.320122     -7.208448      6.047257
  H      -8.731119     -6.538711      7.603288
  H      -6.698475     -2.995478      5.153256
  H      -8.372786     -2.773105      4.632538
  H      -6.939154     -0.771904      4.007984
  H      -5.935558     -1.856610      2.996472
  H      -7.625458     -0.703754      1.582128
  H      -8.935310     -1.330348      2.612259
  H      -6.982906     -3.023675      0.949244
  H      -8.709180     -2.769364      0.594161
  H      -8.444823     -4.963732      1.726102
  H      -9.310330     -3.848492      2.784279
  H      -4.521698     -4.876081      7.270522
  H      -4.027764     -6.535152      7.645893
  H      -2.516670     -5.719981      9.454873
  H      -2.930630     -4.035245      9.069193
  H      -4.926410     -6.192988      9.977622
  H      -5.328644     -4.497890      9.613037
  H      -3.768116     -3.761275     11.472178
  H      -5.155787     -4.750199     12.034176
  H      -1.796766     -7.436726      6.756598
  H      -1.168442     -6.292155      7.934988
  H      -0.505722     -6.071153      4.956699
  H       0.516302     -6.972750      6.089960
  H       1.321434     -5.009418      7.116422
  H       0.890552     -4.303326      5.550767
  H      -0.171251     -2.832544      7.094704
  H      -0.591904     -4.131376      8.217523
  H      -2.582127     -3.247034      7.036325
  H      -1.851732     -3.652981      5.457058
  N      -4.407172     -2.731029      5.297206
  H      -5.089458     -2.037218      4.968159
  H      -3.550222     -2.195655      5.482964
  H      -4.750132     -3.034386      6.222510
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.435988846568
  N      -2.633132     -3.616257      2.595313
  C      -1.969390     -4.614277      1.727196
  C      -2.269155     -6.030649      2.197236
  N      -3.686151     -6.111843      2.628353
  C      -4.613389     -6.012474      1.483938
  C      -5.996107     -5.593533      1.956466
  N      -5.938280     -4.540584      2.989641
  Mo     -4.063598     -4.379169      3.850292
  N      -3.209179     -5.628203      5.209430
  C      -3.265958     -7.056216      4.859792
  C      -3.959984     -7.267671      3.511863
  H      -3.817147     -7.656105      5.613370
  H      -2.255018     -7.507628      4.808678
  H      -5.050071     -7.311793      3.648403
  H      -3.629389     -8.222850      3.052675
  H      -6.538942     -5.256453      1.053468
  H      -6.548924     -6.484635      2.318353
  H      -4.212603     -5.239246      0.814226
  H      -4.666016     -6.965386      0.922246
  H      -0.866624     -4.511769      1.739805
  H      -2.258870     -4.502948      0.661054
  H      -1.654077     -6.262468      3.076855
  H      -2.040980     -6.769882      1.404975
  C      -2.449724     -2.236881      2.055914
  C      -0.986355     -1.964771      1.631190
  C       0.072273     -2.180381      2.713835
  C       1.483749     -1.938941      2.174369
  C       2.600978     -2.269529      3.147631
  Cl      2.777306     -4.061536      3.391901
  C      -2.882433     -1.216271      3.121880
  C      -2.955319      0.234082      2.636457
  C      -3.918482      0.354707      1.450412
  C      -3.508543     -0.597141      0.322975
  C      -3.387923     -2.040352      0.827774
  C      -7.308960     -4.253915      3.489233
  C      -7.831441     -5.409213      4.393336
  C      -6.969559     -5.693629      5.625760
  C      -7.105736     -7.111553      6.190689
  C      -8.491273     -7.365859      6.756532
  Cl     -8.621780     -9.017181      7.498408
  C      -7.366999     -2.940247      4.300512
  C      -6.987811     -1.710878      3.466716
  C      -7.934106     -1.563433      2.269705
  C      -7.967599     -2.857123      1.444589
  C      -8.322453     -4.058347      2.328865
  C      -2.576914     -5.350795      6.537364
  C      -3.692284     -5.434236      7.613750
  C      -3.335623     -5.035718      9.047196
  C      -4.550035     -5.106907      9.975785
  C      -4.270155     -4.702407     11.412166
  Cl     -3.147269     -5.861215     12.245707
  C      -1.456106     -6.364107      6.881945
  C      -0.210603     -6.113507      6.029736
  C       0.464026     -4.784309      6.442971
  C      -0.535918     -3.846036      7.143898
  C      -1.926417     -3.927008      6.508033
  H      -0.738985     -2.598334      0.762210
  H      -0.915817     -0.926184      1.265099
  H      -0.003530     -3.204961      3.114365
  H      -0.103145     -1.498712      3.564980
  H       1.637449     -2.518841      1.248091
  H       1.594629     -0.872000      1.903135
  H       2.415092     -1.846449      4.144771
  H       3.577511     -1.926116      2.784172
  H      -3.895330     -1.523351      3.422687
  H      -2.227926     -1.306340      4.006321
  H      -1.956511      0.606436      2.342223
  H      -3.292250      0.876290      3.467985
  H      -3.958044      1.394485      1.084289
  H      -4.937218      0.088355      1.792590
  H      -2.548547     -0.260261     -0.108755
  H      -4.247195     -0.559762     -0.496041
  H      -3.054127     -2.689537      0.000741
  H      -4.384193     -2.402207      1.141366
  H      -8.861042     -5.151060      4.696993
  H      -7.907587     -6.325991      3.779988
  H      -7.198881     -4.967227      6.427052
  H      -5.908088     -5.541999      5.356811
  H      -6.361119     -7.266055      6.988939
  H      -6.894332     -7.851412      5.399695
  H      -9.270132     -7.321136      5.984568
  H      -8.734757     -6.652601      7.556285
  H      -6.747020     -3.036024      5.201917
  H      -8.405682     -2.825991      4.656853
  H      -7.000584     -0.797536      4.087058
  H      -5.961503     -1.841390      3.080521
  H      -7.632905     -0.707707      1.641936
  H      -8.954201     -1.349056      2.640594
  H      -6.973603     -3.017432      0.990098
  H      -8.692836     -2.767992      0.618797
  H      -8.422843     -4.975251      1.728373
  H      -9.312179     -3.884754      2.788746
  H      -4.529013     -4.806970      7.257642
  H      -4.074702     -6.472110      7.622757
  H      -2.549258     -5.695920      9.447554
  H      -2.930696     -4.007805      9.068975
  H      -4.974195     -6.125583      9.962406
  H      -5.339508     -4.426887      9.601885
  H      -3.781157     -3.719836     11.468456
  H      -5.184064     -4.688178     12.019120
  H      -1.821537     -7.394904      6.778306
  H      -1.191095     -6.249085      7.946464
  H      -0.516657     -6.059283      4.970880
  H       0.499470     -6.951132      6.111459
  H       1.311213     -4.983069      7.119820
  H       0.883302     -4.287401      5.553236
  H      -0.173462     -2.805501      7.094983
  H      -0.603606     -4.096735      8.216079
  H      -2.586955     -3.203702      7.014883
  H      -1.845815     -3.621249      5.450526
  N      -4.373790     -2.672250      5.292240
  H      -5.044883     -1.966096      4.969883
  H      -3.505559     -2.152572      5.459953
  H      -4.703811     -2.958667      6.224067
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.437356792998
  N      -2.653607     -3.600880      2.579953
  C      -1.991667     -4.584878      1.697583
  C      -2.263122     -6.005169      2.166029
  N      -3.670197     -6.113146      2.610519
  C      -4.616464     -6.025052      1.483101
  C      -5.996405     -5.633706      1.976404
  N      -5.935936     -4.580752      3.004174
  Mo     -4.060733     -4.376786      3.840094
  N      -3.205309     -5.617386      5.198898
  C      -3.222578     -7.042373      4.838278
  C      -3.919985     -7.265328      3.499325
  H      -3.746526     -7.664595      5.591734
  H      -2.200152     -7.460361      4.775074
  H      -5.007448     -7.323849      3.634207
  H      -3.576618     -8.213514      3.040754
  H      -6.561106     -5.305053      1.084388
  H      -6.528847     -6.530696      2.348746
  H      -4.231343     -5.250402      0.809245
  H      -4.660956     -6.977838      0.922038
  H      -0.892709     -4.464997      1.689966
  H      -2.301285     -4.471386      0.638575
  H      -1.640225     -6.237636      3.038229
  H      -2.036465     -6.738637      1.370489
  C      -2.472412     -2.218299      2.042939
  C      -1.006151     -1.946090      1.632792
  C       0.039539     -2.164184      2.723643
  C       1.457443     -1.926791      2.208857
  C       2.555221     -2.271540      3.194271
  Cl      2.707270     -4.068031      3.434124
  C      -2.910238     -1.195850      3.099393
  C      -2.971455      0.249842      2.603189
  C      -3.916737      0.367630      1.405805
  C      -3.499666     -0.593990      0.291875
  C      -3.393878     -2.032769      0.807498
  C      -7.300389     -4.271973      3.510642
  C      -7.839936     -5.411653      4.413660
  C      -6.996237     -5.694953      5.654452
  C      -7.163990     -7.104591      6.228472
  C      -8.560688     -7.334214      6.770890
  Cl     -8.731441     -8.979648      7.518345
  C      -7.319833     -2.953584      4.307131
  C      -6.919301     -1.741795      3.466268
  C      -7.849046     -1.583368      2.260357
  C      -7.919059     -2.883349      1.454253
  C      -8.306194     -4.061191      2.348844
  C      -2.571347     -5.346670      6.534012
  C      -3.688909     -5.430124      7.602310
  C      -3.328815     -5.053092      9.038849
  C      -4.537946     -5.115529      9.970293
  C      -4.251782     -4.720362     11.404225
  Cl     -3.132571     -5.891490     12.227334
  C      -1.451610     -6.362221      6.875898
  C      -0.207760     -6.118067      6.024156
  C       0.469298     -4.792966      6.433848
  C      -0.524553     -3.858567      7.141759
  C      -1.915936     -3.930262      6.508989
  H      -0.751393     -2.574469      0.763795
  H      -0.928759     -0.910389      1.265560
  H      -0.043374     -3.185880      3.120998
  H      -0.146451     -1.491811      3.577151
  H       1.622989     -2.495311      1.279338
  H       1.583106     -0.861246      1.946112
  H       2.362324     -1.854841      4.190923
  H       3.540282     -1.939536      2.849148
  H      -3.923317     -1.498873      3.394894
  H      -2.270890     -1.287145      3.991475
  H      -1.969256      0.615332      2.319414
  H      -3.310814      0.900788      3.424153
  H      -3.952182      1.403475      1.035108
  H      -4.937970      0.109624      1.737233
  H      -2.533913     -0.266185     -0.128703
  H      -4.223246     -0.555534     -0.537580
  H      -3.055783     -2.694210     -0.005105
  H      -4.394674     -2.386578      1.111363
  H      -8.871975     -5.148755      4.699608
  H      -7.921005     -6.331330      3.810332
  H      -7.210517     -4.955641      6.444613
  H      -5.927083     -5.568805      5.398899
  H      -6.434774     -7.267035      7.035835
  H      -6.948869     -7.851244      5.447135
  H      -9.326954     -7.281483      5.989279
  H      -8.808363     -6.615467      7.562035
  H      -6.707972     -3.054484      5.211302
  H      -8.353870     -2.813502      4.666281
  H      -6.918394     -0.825247      4.078384
  H      -5.893828     -1.887573      3.089504
  H      -7.520486     -0.746601      1.624820
  H      -8.862737     -1.330587      2.619565
  H      -6.932495     -3.080264      1.002527
  H      -8.636943     -2.781815      0.626103
  H      -8.430299     -4.980625      1.760122
  H      -9.291157     -3.861185      2.804814
  H      -4.517208     -4.790331      7.253169
  H      -4.091245     -6.458093      7.594969
  H      -2.547762     -5.721304      9.431087
  H      -2.908993     -4.033736      9.069903
  H      -4.979033     -6.124900      9.953207
  H      -5.321633     -4.427295      9.604650
  H      -3.755610     -3.743702     11.467013
  H      -5.160784     -4.702803     12.015173
  H      -1.822692     -7.388708      6.776406
  H      -1.186637     -6.251822      7.938752
  H      -0.516114     -6.066510      4.968036
  H       0.499930     -6.955670      6.102501
  H       1.319943     -4.992681      7.103125
  H       0.885220     -4.296051      5.545873
  H      -0.159404     -2.820655      7.102822
  H      -0.589834     -4.114750      8.210745
  H      -2.571807     -3.205829      7.012561
  H      -1.832822     -3.617370      5.454060
  N      -4.413543     -2.673001      5.335363
  H      -5.098298     -1.973726      5.031719
  H      -3.553762     -2.144728      5.499914
  H      -4.723761     -2.977455      6.263230
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.437651722616
  N      -2.659481     -3.592746      2.557171
  C      -2.007840     -4.572903      1.666942
  C      -2.263683     -5.990835      2.145069
  N      -3.662037     -6.109630      2.601654
  C      -4.618321     -6.038165      1.484321
  C      -5.996885     -5.661762      1.988101
  N      -5.938855     -4.603687      3.007564
  Mo     -4.060001     -4.365408      3.821352
  N      -3.207983     -5.586229      5.193531
  C      -3.189983     -7.010348      4.833741
  C      -3.892878     -7.253316      3.502618
  H      -3.692919     -7.644295      5.592364
  H      -2.157484     -7.402808      4.763195
  H      -4.978773     -7.323206      3.643407
  H      -3.540997     -8.202382      3.050967
  H      -6.574732     -5.345573      1.100450
  H      -6.513589     -6.564038      2.370441
  H      -4.247139     -5.264045      0.802213
  H      -4.656270     -6.995263      0.928690
  H      -0.909784     -4.448055      1.643720
  H      -2.333962     -4.463160      0.612677
  H      -1.631164     -6.214720      3.012502
  H      -2.039334     -6.727899      1.351460
  C      -2.446481     -2.202860      2.049870
  C      -0.982098     -1.961092      1.606673
  C       0.094512     -2.265052      2.646906
  C       1.497558     -2.030938      2.091407
  C       2.624146     -2.473017      3.002117
  Cl      2.737580     -4.285357      3.100335
  C      -2.823969     -1.196052      3.142965
  C      -2.851422      0.263288      2.687509
  C      -3.820405      0.442699      1.518115
  C      -3.461721     -0.500840      0.370142
  C      -3.393469     -1.954786      0.845694
  C      -7.304474     -4.305071      3.524918
  C      -7.824203     -5.453567      4.429053
  C      -6.966808     -5.737276      5.659790
  C      -7.125127     -7.151274      6.226885
  C      -8.517517     -7.391523      6.774973
  Cl     -8.674966     -9.043128      7.509742
  C      -7.331522     -2.989596      4.322620
  C      -6.960223     -1.770486      3.480412
  C      -7.897768     -1.621194      2.280406
  C      -7.959737     -2.920635      1.475263
  C      -8.325813     -4.100605      2.373307
  C      -2.600380     -5.300817      6.538507
  C      -3.730977     -5.420561      7.587779
  C      -3.402814     -5.038367      9.030335
  C      -4.620960     -5.138546      9.945659
  C      -4.365078     -4.730982     11.381657
  Cl     -3.213287     -5.859952     12.218115
  C      -1.454704     -6.280236      6.898227
  C      -0.207330     -5.991016      6.065761
  C       0.417497     -4.642711      6.481445
  C      -0.614828     -3.744421      7.177038
  C      -1.992304     -3.864570      6.523620
  H      -0.776709     -2.552428      0.699611
  H      -0.879788     -0.913123      1.284544
  H       0.001004     -3.306297      2.991077
  H      -0.044024     -1.639377      3.543610
  H       1.609942     -2.535144      1.117952
  H       1.645110     -0.953764      1.896443
  H       2.484723     -2.128647      4.034562
  H       3.603546     -2.142083      2.640203
  H      -3.835573     -1.476594      3.460217
  H      -2.164944     -1.332342      4.014283
  H      -1.845245      0.604658      2.389299
  H      -3.149313      0.903176      3.532930
  H      -3.832333      1.488776      1.176086
  H      -4.841883      0.208838      1.867598
  H      -2.495249     -0.194870     -0.064323
  H      -4.201658     -0.414584     -0.441103
  H      -3.101217     -2.606342      0.008437
  H      -4.398165     -2.280750      1.166769
  H      -8.857869     -5.207395      4.723989
  H      -7.901540     -6.371481      3.823234
  H      -7.172389     -5.002042      6.455533
  H      -5.901087     -5.607528      5.393923
  H      -6.389935     -7.316103      7.028033
  H      -6.909655     -7.891460      5.439686
  H      -9.288960     -7.337463      5.998702
  H      -8.765271     -6.681111      7.573523
  H      -6.709587     -3.082917      5.219789
  H      -8.363472     -2.864862      4.694990
  H      -6.972690     -0.855429      4.095089
  H      -5.933832     -1.895691      3.097713
  H      -7.580003     -0.781919      1.642850
  H      -8.911679     -1.376119      2.643990
  H      -6.975892     -3.108461      1.014352
  H      -8.686033     -2.825716      0.653476
  H      -8.449084     -5.021025      1.786375
  H      -9.307962     -3.910452      2.839262
  H      -4.571877     -4.802997      7.229501
  H      -4.106126     -6.458648      7.569235
  H      -2.606672     -5.682573      9.431473
  H      -3.012999     -4.007499      9.069509
  H      -5.030902     -6.160715      9.925537
  H      -5.422443     -4.477149      9.569287
  H      -3.904421     -3.737554     11.449654
  H      -5.280320     -4.746194     11.983401
  H      -1.789830     -7.319110      6.793838
  H      -1.210968     -6.163448      7.964932
  H      -0.501449     -5.951379      5.005206
  H       0.528247     -6.803156      6.155099
  H       1.268436     -4.810959      7.159125
  H       0.824445     -4.131685      5.596564
  H      -0.285123     -2.694340      7.145788
  H      -0.685419     -4.004442      8.244713
  H      -2.679346     -3.162235      7.016958
  H      -1.904619     -3.547342      5.470427
  N      -4.421999     -2.642318      5.318284
  H      -5.107306     -1.944515      5.013348
  H      -3.557820     -2.117479      5.472702
  H      -4.725266     -2.944890      6.249200
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.438458617491
  N      -2.676376     -3.590446      2.511102
  C      -2.041501     -4.578112      1.619152
  C      -2.296897     -5.991278      2.110531
  N      -3.690198     -6.102295      2.579254
  C      -4.654576     -6.036560      1.470867
  C      -6.027420     -5.663234      1.989278
  N      -5.959954     -4.604376      3.005260
  Mo     -4.070248     -4.348966      3.789991
  N      -3.219529     -5.563002      5.170658
  C      -3.201668     -6.987246      4.813574
  C      -3.919841     -7.235952      3.492815
  H      -3.692841     -7.620859      5.581408
  H      -2.167524     -7.377242      4.729215
  H      -5.005271     -7.297740      3.647606
  H      -3.578804     -8.193238      3.045946
  H      -6.617009     -5.351619      1.107746
  H      -6.535504     -6.568879      2.378759
  H      -4.293308     -5.262589      0.781743
  H      -4.695945     -6.996471      0.917862
  H      -0.943076     -4.459279      1.578809
  H      -2.383929     -4.475592      0.568629
  H      -1.654209     -6.209475      2.972930
  H      -2.081401     -6.735858      1.319467
  C      -2.435522     -2.196594      2.022059
  C      -0.953392     -1.954286      1.635437
  C       0.077956     -2.255182      2.720602
  C       1.505206     -2.024746      2.227259
  C       2.586273     -2.475884      3.189207
  Cl      2.671331     -4.288660      3.300475
  C      -2.846805     -1.198074      3.112262
  C      -2.849537      0.266890      2.673852
  C      -3.771913      0.465541      1.469472
  C      -3.376707     -0.468619      0.325284
  C      -3.340527     -1.927747      0.788653
  C      -7.325319     -4.318423      3.536687
  C      -7.814012     -5.474719      4.452405
  C      -6.937244     -5.740247      5.674801
  C      -7.071122     -7.154107      6.251463
  C      -8.456466     -7.412965      6.810562
  Cl     -8.581334     -9.063010      7.553298
  C      -7.370108     -3.002437      4.332395
  C      -7.036158     -1.776498      3.482524
  C      -7.988599     -1.648237      2.291364
  C      -8.035344     -2.951526      1.490395
  C      -8.368570     -4.134064      2.398412
  C      -2.592842     -5.287908      6.510963
  C      -3.722869     -5.384137      7.563945
  C      -3.381493     -5.016392      9.007750
  C      -4.600039     -5.092379      9.925774
  C      -4.330174     -4.691823     11.362716
  Cl     -3.194552     -5.842089     12.191554
  C      -1.471374     -6.298026      6.864639
  C      -0.217082     -6.041216      6.030961
  C       0.445011     -4.711042      6.450165
  C      -0.562928     -3.787862      7.149211
  C      -1.945804     -3.867627      6.497778
  H      -0.709860     -2.544781      0.736526
  H      -0.838251     -0.905237      1.319682
  H      -0.031745     -3.296030      3.062770
  H      -0.100045     -1.626638      3.609342
  H       1.659032     -2.528172      1.258282
  H       1.666863     -0.947150      2.040918
  H       2.405892     -2.125435      4.214009
  H       3.585573     -2.159372      2.868436
  H      -3.870570     -1.477332      3.391129
  H      -2.217874     -1.348200      4.004935
  H      -1.829812      0.605519      2.419201
  H      -3.177175      0.899744      3.514929
  H      -3.762130      1.516118      1.137901
  H      -4.809823      0.236673      1.776322
  H      -2.390398     -0.167934     -0.068332
  H      -4.084693     -0.366141     -0.513598
  H      -3.028000     -2.574697     -0.045776
  H      -4.359630     -2.244257      1.073018
  H      -8.850246     -5.250147      4.758310
  H      -7.878979     -6.396889      3.849516
  H      -7.142238     -5.002900      6.469961
  H      -5.878245     -5.598016      5.393316
  H      -6.327472     -7.303116      7.049417
  H      -6.848934     -7.895742      5.466503
  H      -9.234238     -7.375483      6.038628
  H      -8.710091     -6.702722      7.608532
  H      -6.733282     -3.081007      5.220566
  H      -8.400083     -2.898449      4.719072
  H      -7.066930     -0.860005      4.096810
  H      -6.008615     -1.878605      3.091331
  H      -7.689198     -0.805949      1.647174
  H      -9.003951     -1.417776      2.662684
  H      -7.053569     -3.123387      1.017194
  H      -8.775026     -2.872564      0.677370
  H      -8.485674     -5.059681      1.816697
  H      -9.347544     -3.958040      2.877900
  H      -4.549583     -4.743205      7.211935
  H      -4.124429     -6.413506      7.541462
  H      -2.599357     -5.681536      9.404075
  H      -2.967413     -3.993978      9.050324
  H      -5.031984     -6.106277      9.905374
  H      -5.389054     -4.413185      9.552008
  H      -3.851477     -3.706202     11.431045
  H      -5.243557     -4.693542     11.969167
  H      -1.834667     -7.329171      6.758836
  H      -1.221079     -6.189758      7.931327
  H      -0.509336     -5.991238      4.969346
  H       0.495982     -6.874452      6.119478
  H       1.293427     -4.903346      7.126217
  H       0.863874     -4.208722      5.565903
  H      -0.204459     -2.745983      7.122995
  H      -0.639488     -4.052329      8.216362
  H      -2.609569     -3.146836      6.999270
  H      -1.854774     -3.550095      5.444802
  N      -4.412795     -2.599557      5.273235
  H      -5.087326     -1.893885      4.961362
  H      -3.535239     -2.091529      5.417071
  H      -4.717328     -2.893178      6.208690
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.438891318346
  N      -2.688964     -3.580040      2.484756
  C      -2.060160     -4.562426      1.584496
  C      -2.307579     -5.978170      2.073770
  N      -3.696846     -6.095321      2.555391
  C      -4.675163     -6.030141      1.458586
  C      -6.044744     -5.665804      1.996467
  N      -5.966044     -4.612907      3.017158
  Mo     -4.067318     -4.348680      3.774753
  N      -3.200498     -5.562855      5.144167
  C      -3.173685     -6.985327      4.779002
  C      -3.910698     -7.233152      3.468508
  H      -3.647673     -7.626956      5.550552
  H      -2.137975     -7.366446      4.676087
  H      -4.993163     -7.299271      3.640793
  H      -3.574094     -8.188767      3.014914
  H      -6.646616     -5.351079      1.124177
  H      -6.544330     -6.576586      2.386043
  H      -4.328859     -5.249138      0.769377
  H      -4.717931     -6.986898      0.900405
  H      -0.962600     -4.440191      1.530888
  H      -2.415832     -4.458391      0.538263
  H      -1.653817     -6.194375      2.928424
  H      -2.095634     -6.719516      1.278759
  C      -2.441144     -2.188213      2.001657
  C      -0.949692     -1.953898      1.652847
  C       0.045830     -2.285179      2.763002
  C       1.490936     -2.067185      2.318153
  C       2.531887     -2.560923      3.304064
  Cl      2.573310     -4.376775      3.381948
  C      -2.881530     -1.185869      3.077841
  C      -2.868880      0.278287      2.636235
  C      -3.755974      0.476837      1.404867
  C      -3.334728     -0.464340      0.275045
  C      -3.315874     -1.921956      0.745789
  C      -7.322624     -4.321225      3.560647
  C      -7.807466     -5.470521      4.487168
  C      -6.922601     -5.725211      5.706432
  C      -7.058259     -7.130559      6.303160
  C      -8.442520     -7.379096      6.870314
  Cl     -8.566733     -9.018008      7.637103
  C      -7.349054     -3.001048      4.351188
  C      -7.011244     -1.783083      3.490016
  C      -7.975308     -1.654120      2.307699
  C      -8.043058     -2.962199      1.514107
  C      -8.375851     -4.137823      2.432746
  C      -2.579303     -5.286880      6.486116
  C      -3.709306     -5.409505      7.537582
  C      -3.381711     -5.039842      8.984249
  C      -4.604039     -5.146986      9.894723
  C      -4.351939     -4.742979     11.334608
  Cl     -3.191344     -5.865026     12.166999
  C      -1.436600     -6.273825      6.837985
  C      -0.183658     -5.982519      6.012251
  C       0.446565     -4.640071      6.442555
  C      -0.586806     -3.742104      7.138514
  C      -1.963298     -3.852882      6.478215
  H      -0.689335     -2.536099      0.753125
  H      -0.815281     -0.901475      1.356474
  H      -0.087608     -3.330518      3.083440
  H      -0.151836     -1.668405      3.655766
  H       1.666593     -2.551766      1.343346
  H       1.675879     -0.988564      2.162560
  H       2.326443     -2.225948      4.329297
  H       3.547082     -2.260179      3.020323
  H      -3.914936     -1.463382      3.327611
  H      -2.275882     -1.333814      3.987250
  H      -1.841440      0.614210      2.410830
  H      -3.220227      0.913292      3.465958
  H      -3.730291      1.526013      1.069334
  H      -4.803192      0.255511      1.682910
  H      -2.337316     -0.169583     -0.094188
  H      -4.020467     -0.362906     -0.582235
  H      -2.986752     -2.573932     -0.078742
  H      -4.342497     -2.232740      1.008895
  H      -8.841399     -5.242792      4.798284
  H      -7.875431     -6.397411      3.891080
  H      -7.120666     -4.977524      6.493847
  H      -5.865732     -5.589799      5.414195
  H      -6.313078     -7.268793      7.102061
  H      -6.839625     -7.883929      5.528425
  H      -9.221918     -7.351562      6.099695
  H      -8.692165     -6.656800      7.658613
  H      -6.699559     -3.080248      5.230697
  H      -8.372896     -2.885563      4.749185
  H      -7.030061     -0.862951      4.099129
  H      -5.987678     -1.898057      3.090997
  H      -7.672538     -0.819354      1.655254
  H      -8.984564     -1.410823      2.686948
  H      -7.068414     -3.144176      1.030083
  H      -8.792045     -2.881838      0.709876
  H      -8.504846     -5.066446      1.857636
  H      -9.347986     -3.951758      2.921808
  H      -4.547960     -4.784225      7.185847
  H      -4.087935     -6.447328      7.511139
  H      -2.587682     -5.689962      9.381979
  H      -2.991226     -4.008463      9.032908
  H      -5.010588     -6.171350      9.869661
  H      -5.406437     -4.485973      9.517138
  H      -3.899804     -3.745248     11.406947
  H      -5.268380     -4.770395     11.935715
  H      -1.773588     -7.312366      6.724123
  H      -1.193518     -6.165968      7.906566
  H      -0.469905     -5.932331      4.949036
  H       0.547274     -6.800037      6.101266
  H       1.294933     -4.816445      7.122839
  H       0.859339     -4.125095      5.561946
  H      -0.252696     -2.692148      7.117335
  H      -0.664037     -4.011885      8.204281
  H      -2.645824     -3.147123      6.976872
  H      -1.873557     -3.534938      5.425325
  N      -4.406691     -2.609189      5.270876
  H      -5.078450     -1.898252      4.965852
  H      -3.524969     -2.110647      5.416300
  H      -4.710083     -2.913075      6.202609
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439200727377
  N      -2.704795     -3.547237      2.481814
  C      -2.073018     -4.519559      1.574502
  C      -2.297697     -5.939272      2.064934
  N      -3.684412     -6.077123      2.550048
  C      -4.666738     -6.026063      1.455920
  C      -6.041053     -5.686429      2.001171
  N      -5.970439     -4.638388      3.026234
  Mo     -4.071980     -4.338562      3.771536
  N      -3.187451     -5.542631      5.138164
  C      -3.133912     -6.963102      4.766998
  C      -3.877752     -7.220098      3.462892
  H      -3.587261     -7.616479      5.540273
  H      -2.091758     -7.323312      4.652536
  H      -4.957187     -7.300716      3.645829
  H      -3.533690     -8.171549      3.007154
  H      -6.650958     -5.375542      1.133033
  H      -6.525448     -6.607610      2.386350
  H      -4.339296     -5.234112      0.769912
  H      -4.694421     -6.980133      0.892822
  H      -0.977982     -4.384445      1.507693
  H      -2.442043     -4.419292      0.532509
  H      -1.634966     -6.141914      2.916039
  H      -2.075677     -6.676929      1.269811
  C      -2.446575     -2.155370      2.014483
  C      -0.950025     -1.934057      1.682860
  C       0.032645     -2.344402      2.779493
  C       1.483800     -2.128907      2.351349
  C       2.511239     -2.734080      3.288950
  Cl      2.509714     -4.549625      3.200156
  C      -2.896317     -1.153761      3.088478
  C      -2.866059      0.312461      2.654145
  C      -3.731885      0.525481      1.409712
  C      -3.305223     -0.417564      0.283006
  C      -3.305913     -1.876989      0.750226
  C      -7.327759     -4.350789      3.562311
  C      -7.816892     -5.494401      4.493699
  C      -6.945886     -5.727486      5.727450
  C      -7.088875     -7.119426      6.352308
  C      -8.481903     -7.359758      6.901821
  Cl     -8.612463     -8.980532      7.705092
  C      -7.359025     -3.024083      4.342808
  C      -7.014416     -1.814331      3.470999
  C      -7.974006     -1.696354      2.283568
  C      -8.040285     -3.012026      1.500599
  C      -8.374743     -4.181129      2.428601
  C      -2.564795     -5.267034      6.478315
  C      -3.689428     -5.403792      7.534343
  C      -3.368504     -5.033295      8.982105
  C      -4.594278     -5.161663      9.885806
  C      -4.357631     -4.752535     11.327466
  Cl     -3.178576     -5.849763     12.166287
  C      -1.411027     -6.244988      6.817183
  C      -0.164331     -5.932820      5.988507
  C       0.455099     -4.589198      6.429824
  C      -0.585597     -3.707577      7.136145
  C      -1.960466     -3.828901      6.475594
  H      -0.698044     -2.480569      0.758773
  H      -0.791790     -0.871997      1.437485
  H      -0.121866     -3.403625      3.038897
  H      -0.158527     -1.774497      3.703993
  H       1.646755     -2.535451      1.339541
  H       1.696594     -1.046525      2.286320
  H       2.312394     -2.486749      4.340019
  H       3.533154     -2.433299      3.031425
  H      -3.936472     -1.425760      3.321857
  H      -2.300745     -1.307066      4.003612
  H      -1.832706      0.641469      2.447401
  H      -3.226952      0.945150      3.481142
  H      -3.687358      1.575077      1.077774
  H      -4.785337      0.316731      1.670564
  H      -2.300373     -0.132415     -0.072830
  H      -3.978933     -0.307422     -0.582367
  H      -2.975968     -2.529358     -0.073632
  H      -4.337881     -2.178000      1.004484
  H      -8.855928     -5.270846      4.789822
  H      -7.869153     -6.427858      3.905866
  H      -7.155468     -4.965393      6.497882
  H      -5.886451     -5.596917      5.442814
  H      -6.358083     -7.235967      7.168225
  H      -6.854735     -7.889631      5.599145
  H      -9.247222     -7.353131      6.117085
  H      -8.746540     -6.619719      7.668211
  H      -6.708401     -3.095819      5.222032
  H      -8.383004     -2.904163      4.736903
  H      -7.038219     -0.889018      4.071443
  H      -5.988673     -1.936177      3.079779
  H      -7.664769     -0.869205      1.624665
  H      -8.984308     -1.447231      2.655082
  H      -7.064814     -3.196155      1.019523
  H      -8.788272     -2.939438      0.695124
  H      -8.498451     -5.115454      1.861174
  H      -9.348674     -3.992403      2.912275
  H      -4.535245     -4.787370      7.184968
  H      -4.053427     -6.446383      7.507785
  H      -2.567323     -5.673954      9.380636
  H      -2.994110     -3.996335      9.035132
  H      -4.981497     -6.193593      9.858555
  H      -5.405266     -4.514915      9.502789
  H      -3.927461     -3.745431     11.400780
  H      -5.276642     -4.799497     11.922993
  H      -1.734759     -7.285870      6.693790
  H      -1.164771     -6.143790      7.885881
  H      -0.454151     -5.873549      4.926638
  H       0.574164     -6.744178      6.067835
  H       1.308147     -4.763092      7.104400
  H       0.857453     -4.064079      5.550213
  H      -0.263044     -2.654188      7.122518
  H      -0.658963     -3.987059      8.199537
  H      -2.647581     -3.131251      6.978446
  H      -1.873627     -3.510631      5.422759
  N      -4.456405     -2.608712      5.269628
  H      -5.133488     -1.904438      4.962355
  H      -3.579919     -2.107270      5.422469
  H      -4.762232     -2.926102      6.194404
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439391022436
  N      -2.704238     -3.554644      2.459598
  C      -2.092784     -4.532779      1.543821
  C      -2.313792     -5.949285      2.043959
  N      -3.695841     -6.081956      2.541519
  C      -4.685240     -6.034905      1.454591
  C      -6.054237     -5.692330      2.009546
  N      -5.975450     -4.638080      3.027991
  Mo     -4.069726     -4.335993      3.757247
  N      -3.188299     -5.537273      5.127441
  C      -3.129907     -6.958391      4.757500
  C      -3.883804     -7.220528      3.461026
  H      -3.575022     -7.611918      5.535278
  H      -2.087034     -7.314564      4.636262
  H      -4.961917     -7.297644      3.653103
  H      -3.545668     -8.174846      3.007124
  H      -6.670238     -5.386870      1.144536
  H      -6.535566     -6.611471      2.403290
  H      -4.362556     -5.245223      0.763983
  H      -4.717275     -6.990983      0.895175
  H      -0.999063     -4.404711      1.455850
  H      -2.479728     -4.434625      0.508540
  H      -1.642930     -6.147991      2.889591
  H      -2.100641     -6.691542      1.250886
  C      -2.430223     -2.162291      2.000373
  C      -0.928311     -1.940770      1.687089
  C       0.044600     -2.353651      2.791871
  C       1.499305     -2.131425      2.378323
  C       2.519970     -2.754549      3.311428
  Cl      2.514860     -4.568169      3.191149
  C      -2.886359     -1.161672      3.072288
  C      -2.843934      0.305670      2.642866
  C      -3.692444      0.529062      1.388697
  C      -3.259582     -0.414425      0.265082
  C      -3.275692     -1.874699      0.728616
  C      -7.330796     -4.346482      3.571459
  C      -7.806909     -5.483159      4.517876
  C      -6.917326     -5.708490      5.739523
  C      -7.061516     -7.090929      6.384457
  C      -8.448193     -7.313649      6.956794
  Cl     -8.578215     -8.921700      7.785308
  C      -7.360378     -3.013058      4.339894
  C      -7.032354     -1.809250      3.453345
  C      -8.005512     -1.704876      2.276243
  C      -8.076222     -3.027214      1.506120
  C      -8.392836     -4.188946      2.449075
  C      -2.572877     -5.262614      6.472058
  C      -3.695146     -5.433784      7.524211
  C      -3.384133     -5.071311      8.976167
  C      -4.607741     -5.237992      9.876552
  C      -4.384736     -4.835412     11.322009
  Cl     -3.177692     -5.907387     12.153553
  C      -1.398208     -6.218511      6.800963
  C      -0.158892     -5.868909      5.976267
  C       0.430634     -4.517712      6.434707
  C      -0.629535     -3.669015      7.151590
  C      -2.000107     -3.812119      6.486491
  H      -0.666192     -2.481797      0.762619
  H      -0.767560     -0.877712      1.448780
  H      -0.108993     -3.413864      3.044687
  H      -0.157560     -1.789267      3.717327
  H       1.669245     -2.520112      1.360652
  H       1.713816     -1.048436      2.333869
  H       2.315489     -2.524840      4.365492
  H       3.544040     -2.451702      3.065147
  H      -3.928979     -1.429623      3.295967
  H      -2.298617     -1.318649      3.991707
  H      -1.806482      0.629837      2.450250
  H      -3.211611      0.937206      3.467688
  H      -3.634802      1.579009      1.060338
  H      -4.750960      0.328945      1.635639
  H      -2.248621     -0.136037     -0.078696
  H      -3.922313     -0.297418     -0.607720
  H      -2.943146     -2.526806     -0.093714
  H      -4.312292     -2.168856      0.972832
  H      -8.841622     -5.257761      4.827447
  H      -7.867326     -6.420495      3.937508
  H      -7.107624     -4.934938      6.503405
  H      -5.862057     -5.590774      5.434533
  H      -6.320391     -7.201788      7.191571
  H      -6.843460     -7.872938      5.638735
  H      -9.224493     -7.312834      6.182941
  H      -8.696889     -6.560836      7.716041
  H      -6.699468     -3.073687      5.211457
  H      -8.380420     -2.894655      4.744801
  H      -7.054276     -0.878959      4.046169
  H      -6.011033     -1.930765      3.051532
  H      -7.706050     -0.883012      1.606327
  H      -9.012218     -1.455328      2.656867
  H      -7.106884     -3.210784      1.012889
  H      -8.835891     -2.964871      0.710837
  H      -8.522414     -5.128211      1.892120
  H      -9.360796     -3.998394      2.944038
  H      -4.553109     -4.831920      7.179403
  H      -4.036834     -6.483597      7.486570
  H      -2.568635     -5.697238      9.368980
  H      -3.034314     -4.026448      9.040860
  H      -4.969196     -6.278801      9.839553
  H      -5.433845     -4.608414      9.497354
  H      -3.982495     -3.817570     11.404891
  H      -5.303208     -4.912720     11.915175
  H      -1.697937     -7.265023      6.665029
  H      -1.154575     -6.123901      7.870914
  H      -0.449933     -5.802115      4.915115
  H       0.597242     -6.664709      6.045136
  H       1.288386     -4.680495      7.106021
  H       0.818803     -3.973078      5.561331
  H      -0.330461     -2.608628      7.153039
  H      -0.698199     -3.964828      8.210793
  H      -2.703046     -3.134823      6.995049
  H      -1.918251     -3.481738      5.437133
  N      -4.442375     -2.597203      5.253642
  H      -5.108513     -1.882822      4.946217
  H      -3.556859     -2.111558      5.405733
  H      -4.752024     -2.912939      6.177567
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439444842328
  N      -2.698375     -3.558848      2.460819
  C      -2.089149     -4.543591      1.549809
  C      -2.310809     -5.957074      2.058684
  N      -3.694744     -6.084715      2.553424
  C      -4.679887     -6.039934      1.462785
  C      -6.048989     -5.692814      2.012828
  N      -5.973064     -4.634181      3.028138
  Mo     -4.066381     -4.333384      3.762034
  N      -3.190323     -5.534314      5.138800
  C      -3.138098     -6.957552      4.773055
  C      -3.889282     -7.220302      3.475595
  H      -3.587981     -7.606535      5.551944
  H      -2.096566     -7.318403      4.655410
  H      -4.968394     -7.291339      3.665277
  H      -3.554275     -8.176870      3.024410
  H      -6.661655     -5.390826      1.144663
  H      -6.532677     -6.609529      2.409185
  H      -4.353287     -5.252905      0.771288
  H      -4.711964     -6.997928      0.906725
  H      -0.995159     -4.417024      1.458259
  H      -2.477798     -4.451721      0.515227
  H      -1.642467     -6.150860      2.907448
  H      -2.096693     -6.704290      1.270572
  C      -2.427032     -2.167159      1.994010
  C      -0.926999     -1.939617      1.673083
  C       0.053508     -2.324155      2.779427
  C       1.504955     -2.096221      2.356429
  C       2.534947     -2.686014      3.300782
  Cl      2.537974     -4.502227      3.238091
  C      -2.880770     -1.164024      3.064679
  C      -2.848383      0.301919      2.628357
  C      -3.702761      0.518299      1.377213
  C      -3.270946     -0.427748      0.255671
  C      -3.278607     -1.886394      0.723969
  C      -7.332855     -4.344334      3.566256
  C      -7.815289     -5.487547      4.502223
  C      -6.930754     -5.728732      5.724118
  C      -7.092187     -7.112371      6.362164
  C      -8.482890     -7.321424      6.929944
  Cl     -8.633022     -8.929853      7.754436
  C      -7.368406     -3.016361      4.343834
  C      -7.035698     -1.806473      3.468192
  C      -8.004219     -1.691970      2.288465
  C      -8.072482     -3.007987      1.508216
  C      -8.391238     -4.177045      2.441095
  C      -2.570193     -5.263574      6.483983
  C      -3.692503     -5.422321      7.536657
  C      -3.373503     -5.069637      8.989283
  C      -4.597355     -5.225884      9.891349
  C      -4.367397     -4.835773     11.338825
  Cl     -3.172273     -5.927741     12.161409
  C      -1.404507     -6.230740      6.813234
  C      -0.164574     -5.900010      5.983283
  C       0.441507     -4.555090      6.438735
  C      -0.607338     -3.694402      7.158622
  C      -1.982145     -3.819427      6.497177
  H      -0.663352     -2.492320      0.755896
  H      -0.776705     -0.879108      1.417962
  H      -0.090573     -3.380193      3.051515
  H      -0.150072     -1.744357      3.694973
  H       1.675117     -2.506662      1.347350
  H       1.709076     -1.012539      2.286887
  H       2.335367     -2.425161      4.348505
  H       3.555929     -2.384849      3.039691
  H      -3.919201     -1.436081      3.299563
  H      -2.283598     -1.311408      3.979443
  H      -1.813472      0.630417      2.429768
  H      -3.215286      0.934302      3.452945
  H      -3.648948      1.567160      1.044965
  H      -4.759763      0.316442      1.628859
  H      -2.262645     -0.146571     -0.093894
  H      -3.938138     -0.317057     -0.614573
  H      -2.946196     -2.538414     -0.097999
  H      -4.312944     -2.184952      0.973002
  H      -8.849742     -5.259907      4.811118
  H      -7.877931     -6.419175      3.913280
  H      -7.114707     -4.956502      6.490938
  H      -5.873819     -5.621343      5.421123
  H      -6.355020     -7.235248      7.170910
  H      -6.881254     -7.893831      5.613831
  H      -9.257137     -7.310019      6.154057
  H      -8.725398     -6.567687      7.690394
  H      -6.713405     -3.082996      5.218911
  H      -8.391284     -2.901431      4.743088
  H      -7.057749     -0.880526      4.067745
  H      -6.013761     -1.928467      3.069500
  H      -7.702412     -0.864964      1.625871
  H      -9.012146     -1.445346      2.667959
  H      -7.101821     -3.186649      1.015734
  H      -8.830482     -2.939717      0.711766
  H      -8.520726     -5.111327      1.876431
  H      -9.360573     -3.989250      2.934759
  H      -4.542103     -4.807329      7.194611
  H      -4.048503     -6.467353      7.496733
  H      -2.565006     -5.707694      9.377238
  H      -3.011034     -4.029357      9.058508
  H      -4.972606     -6.261496      9.847823
  H      -5.415597     -4.582804      9.517668
  H      -3.952959     -3.823231     11.427818
  H      -5.286040     -4.905650     11.932779
  H      -1.716839     -7.274286      6.682722
  H      -1.155650     -6.133432      7.881778
  H      -0.459047     -5.831836      4.923105
  H       0.582242     -6.704687      6.050561
  H       1.299866     -4.726830      7.107065
  H       0.831590     -4.015307      5.564524
  H      -0.295302     -2.637679      7.160156
  H      -0.677139     -3.990903      8.217478
  H      -2.676650     -3.133367      7.005929
  H      -1.898287     -3.491812      5.447310
  N      -4.438531     -2.587168      5.246476
  H      -5.094489     -1.866043      4.932444
  H      -3.548411     -2.110652      5.404582
  H      -4.758965     -2.898079      6.168717
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439465204819
  N      -2.709100     -3.547013      2.458258
  C      -2.095803     -4.526911      1.544846
  C      -2.307572     -5.941657      2.053877
  N      -3.691222     -6.080044      2.548812
  C      -4.678091     -6.045167      1.458927
  C      -6.048963     -5.708664      2.010942
  N      -5.980359     -4.645239      3.022304
  Mo     -4.074856     -4.330331      3.756645
  N      -3.190637     -5.525567      5.132514
  C      -3.123989     -6.948574      4.765910
  C      -3.875626     -7.217997      3.470637
  H      -3.564265     -7.602604      5.546069
  H      -2.078856     -7.297708      4.644929
  H      -4.953953     -7.297066      3.662208
  H      -3.534248     -8.171617      3.018156
  H      -6.665846     -5.414750      1.142839
  H      -6.524374     -6.627985      2.411339
  H      -4.359503     -5.255745      0.766526
  H      -4.702565     -7.004159      0.904163
  H      -1.002406     -4.393514      1.450604
  H      -2.487311     -4.436451      0.511480
  H      -1.638432     -6.129027      2.903542
  H      -2.087061     -6.687961      1.266591
  C      -2.426962     -2.153353      2.007416
  C      -0.923046     -1.940823      1.696795
  C       0.043931     -2.365199      2.800900
  C       1.502272     -2.157274      2.391718
  C       2.513426     -2.785912      3.331365
  Cl      2.470404     -4.600610      3.245655
  C      -2.874397     -1.159442      3.089634
  C      -2.831371      0.311515      2.670911
  C      -3.679573      0.550222      1.419577
  C      -3.251584     -0.385361      0.287899
  C      -3.271737     -1.849640      0.737731
  C      -7.343940     -4.358610      3.553314
  C      -7.820883     -5.493614      4.502227
  C      -6.938549     -5.710773      5.730316
  C      -7.097202     -7.082062      6.395149
  C      -8.488583     -7.284729      6.963764
  Cl     -8.634106     -8.875185      7.823422
  C      -7.392127     -3.020630      4.313325
  C      -7.065324     -1.820150      3.422476
  C      -8.031158     -1.727950      2.238607
  C      -8.087312     -3.054446      1.475331
  C      -8.399354     -4.213782      2.422289
  C      -2.565172     -5.250067      6.474148
  C      -3.677862     -5.420666      7.534317
  C      -3.352334     -5.071048      8.986057
  C      -4.569567     -5.244385      9.894024
  C      -4.337284     -4.858760     11.342180
  Cl     -3.124659     -5.939763     12.153652
  C      -1.386098     -6.204610      6.791850
  C      -0.160202     -5.858477      5.947142
  C       0.436477     -4.506987      6.397073
  C      -0.613173     -3.659537      7.131482
  C      -1.992309     -3.799786      6.482980
  H      -0.663823     -2.479874      0.770072
  H      -0.755200     -0.877867      1.463701
  H      -0.121712     -3.424137      3.051454
  H      -0.155085     -1.799883      3.726579
  H       1.670575     -2.551225      1.375687
  H       1.729005     -1.076780      2.345512
  H       2.315902     -2.534127      4.381793
  H       3.542788     -2.506543      3.078747
  H      -3.914433     -1.426666      3.322403
  H      -2.277477     -1.320042      4.002439
  H      -1.793538      0.635587      2.480175
  H      -3.196942      0.935670      3.502473
  H      -3.615368      1.602686      1.100659
  H      -4.739364      0.354502      1.664870
  H      -2.240056     -0.107769     -0.055457
  H      -3.915317     -0.259122     -0.582993
  H      -2.941539     -2.493240     -0.091733
  H      -4.309063     -2.143707      0.979803
  H      -8.858196     -5.269953      4.804656
  H      -7.873808     -6.433358      3.925225
  H      -7.126490     -4.924386      6.481767
  H      -5.881679     -5.606121      5.427005
  H      -6.361786     -7.185969      7.208489
  H      -6.881541     -7.877840      5.663356
  H      -9.261059     -7.293711      6.186004
  H      -8.736289     -6.515405      7.706892
  H      -6.739276     -3.070407      5.191194
  H      -8.417207     -2.908208      4.707887
  H      -7.094687     -0.886323      4.009472
  H      -6.041661     -1.942122      3.028092
  H      -7.733522     -0.907362      1.566059
  H      -9.042028     -1.483902      2.612254
  H      -7.114095     -3.231479      0.986969
  H      -8.844215     -3.002566      0.676482
  H      -8.520181     -5.156224      1.869099
  H      -9.371706     -4.026931      2.910606
  H      -4.534067     -4.810579      7.199738
  H      -4.026115     -6.468455      7.494002
  H      -2.535010     -5.702870      9.365875
  H      -3.000036     -4.027400      9.058611
  H      -4.934184     -6.283794      9.846865
  H      -5.396389     -4.608064      9.527395
  H      -3.935273     -3.841379     11.434361
  H      -5.252214     -4.942888     11.940161
  H      -1.687513     -7.251825      6.664362
  H      -1.126960     -6.104330      7.857684
  H      -0.469524     -5.791666      4.890959
  H       0.596627     -6.654689      6.003004
  H       1.305467     -4.669675      7.053885
  H       0.808171     -3.960473      5.518021
  H      -0.313188     -2.599240      7.131823
  H      -0.668349     -3.958951      8.190388
  H      -2.690999     -3.120668      6.995642
  H      -1.918857     -3.473467      5.431815
  N      -4.465788     -2.587241      5.240001
  H      -5.122993     -1.866686      4.926843
  H      -3.576596     -2.109936      5.401661
  H      -4.787420     -2.902982      6.160255
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439545039461
  N      -2.702979     -3.545317      2.456840
  C      -2.094535     -4.524288      1.539411
  C      -2.303766     -5.939441      2.048137
  N      -3.686167     -6.078595      2.547767
  C      -4.677792     -6.042442      1.461591
  C      -6.046421     -5.705174      2.019349
  N      -5.972289     -4.640854      3.029223
  Mo     -4.064333     -4.330435      3.759390
  N      -3.179072     -5.529548      5.131929
  C      -3.113200     -6.951964      4.762156
  C      -3.867473     -7.218728      3.467865
  H      -3.552332     -7.607042      5.541891
  H      -2.068414     -7.300911      4.639212
  H      -4.945257     -7.298160      3.661972
  H      -3.527420     -8.171033      3.012104
  H      -6.667340     -5.411377      1.153733
  H      -6.520881     -6.623623      2.422877
  H      -4.361688     -5.252553      0.768576
  H      -4.705052     -7.000999      0.906500
  H      -1.001987     -4.390534      1.438238
  H      -2.492623     -4.432726      0.508374
  H      -1.631872     -6.126700      2.895563
  H      -2.085613     -6.685114      1.259720
  C      -2.430304     -2.152753      1.998573
  C      -0.929401     -1.932793      1.680892
  C       0.046046     -2.347682      2.780875
  C       1.500327     -2.135472      2.359933
  C       2.522110     -2.759548      3.290919
  Cl      2.486461     -4.574458      3.206322
  C      -2.883426     -1.155442      3.075212
  C      -2.850185      0.313168      2.647106
  C      -3.700058      0.538901      1.394355
  C      -3.267720     -0.401992      0.268649
  C      -3.278470     -1.863300      0.728479
  C      -7.332678     -4.348777      3.561611
  C      -7.811219     -5.478102      4.515686
  C      -6.927311     -5.691102      5.743223
  C      -7.091116     -7.056911      6.417837
  C      -8.481664     -7.248856      6.992222
  Cl     -8.631675     -8.831721      7.865107
  C      -7.373362     -3.006747      4.315252
  C      -7.038160     -1.813312      3.418239
  C      -8.003511     -1.722196      2.233632
  C      -8.067739     -3.052720      1.477383
  C      -8.386528     -4.205729      2.429923
  C      -2.565136     -5.261470      6.480800
  C      -3.686920     -5.442549      7.529769
  C      -3.373763     -5.102375      8.986627
  C      -4.596981     -5.285868      9.884529
  C      -4.377052     -4.909130     11.336855
  Cl     -3.165936     -5.990479     12.150143
  C      -1.385990     -6.214903      6.801700
  C      -0.152937     -5.857256      5.972372
  C       0.434522     -4.507907      6.440700
  C      -0.625643     -3.670177      7.171083
  C      -1.996678     -3.809641      6.505752
  H      -0.671860     -2.474233      0.755174
  H      -0.769228     -0.869833      1.442102
  H      -0.113392     -3.406028      3.037318
  H      -0.148986     -1.778849      3.705157
  H       1.661330     -2.529591      1.342832
  H       1.722817     -1.054275      2.311153
  H       2.333098     -2.507553      4.342851
  H       3.547838     -2.475884      3.028865
  H      -3.921988     -1.427781      3.309829
  H      -2.285177     -1.306023      3.988901
  H      -1.814444      0.642624      2.454319
  H      -3.219622      0.939844      3.474980
  H      -3.641460      1.589527      1.068493
  H      -4.758573      0.339339      1.641182
  H      -2.258321     -0.120699     -0.077780
  H      -3.933116     -0.286032     -0.602336
  H      -2.944961     -2.510803     -0.096979
  H      -4.313319     -2.162577      0.974031
  H      -8.847359     -5.250133      4.818659
  H      -7.866966     -6.420325      3.942901
  H      -7.109826     -4.898496      6.489395
  H      -5.870670     -5.593274      5.436783
  H      -6.353870     -7.158871      7.229606
  H      -6.881655     -7.858795      5.691018
  H      -9.256620     -7.260590      6.217087
  H      -8.723640     -6.472571      7.729899
  H      -6.721119     -3.055452      5.193919
  H      -8.397857     -2.886303      4.708497
  H      -7.061107     -0.876113      3.999868
  H      -6.015022     -1.944907      3.025136
  H      -7.701382     -0.906999      1.556710
  H      -9.012872     -1.470322      2.606074
  H      -7.095596     -3.237843      0.989878
  H      -8.824229     -3.000880      0.678253
  H      -8.511092     -5.150555      1.881214
  H      -9.358087     -4.011932      2.916916
  H      -4.541495     -4.831612      7.192261
  H      -4.032833     -6.490648      7.479359
  H      -2.557411     -5.734369      9.368026
  H      -3.025431     -4.058228      9.069471
  H      -4.957561     -6.326078      9.827775
  H      -5.423150     -4.649949      9.515944
  H      -3.980243     -3.890727     11.438979
  H      -5.296022     -5.001024     11.927303
  H      -1.682705     -7.261866      6.662645
  H      -1.137631     -6.122637      7.870685
  H      -0.452200     -5.781499      4.914001
  H       0.606088     -6.651258      6.028086
  H       1.297162     -4.673512      7.104936
  H       0.813101     -3.952313      5.570514
  H      -0.329054     -2.609108      7.183475
  H      -0.691752     -3.978641      8.226693
  H      -2.703613     -3.136044      7.014015
  H      -1.910844     -3.476872      5.457438
  N      -4.457986     -2.592895      5.246674
  H      -5.113187     -1.869176      4.936684
  H      -3.568267     -2.118812      5.412267
  H      -4.781715     -2.912393      6.164571
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439529360509
  N      -2.702177     -3.551872      2.449031
  C      -2.098839     -4.533915      1.532304
  C      -2.305527     -5.946600      2.047981
  N      -3.686186     -6.084289      2.552009
  C      -4.681001     -6.051849      1.468751
  C      -6.047856     -5.711673      2.029060
  N      -5.970983     -4.643800      3.035170
  Mo     -4.060071     -4.331987      3.757910
  N      -3.172520     -5.525772      5.133144
  C      -3.103648     -6.949056      4.766669
  C      -3.863303     -7.221244      3.476665
  H      -3.537076     -7.602939      5.550393
  H      -2.058294     -7.295081      4.639857
  H      -4.940215     -7.300312      3.675729
  H      -3.524786     -8.174774      3.022395
  H      -6.670982     -5.421454      1.164097
  H      -6.521280     -6.628722      2.437255
  H      -4.366746     -5.264398      0.772099
  H      -4.710142     -7.012473      0.917298
  H      -1.007131     -4.400803      1.424165
  H      -2.503219     -4.446365      0.503230
  H      -1.631329     -6.129010      2.894614
  H      -2.089203     -6.695985      1.262599
  C      -2.429808     -2.160222      1.989120
  C      -0.928173     -1.936239      1.676858
  C       0.044970     -2.352046      2.778771
  C       1.499889     -2.137460      2.361244
  C       2.521104     -2.763170      3.291756
  Cl      2.486248     -4.577732      3.204157
  C      -2.889818     -1.162948      3.062413
  C      -2.857433      0.305240      2.633148
  C      -3.701826      0.528032      1.376266
  C      -3.263231     -0.413660      0.253772
  C      -3.273591     -1.874213      0.715592
  C      -7.330033     -4.347880      3.569858
  C      -7.820512     -5.484508      4.509525
  C      -6.939957     -5.725671      5.734102
  C      -7.129763     -7.095108      6.394472
  C      -8.523524     -7.266665      6.967530
  Cl     -8.702008     -8.854552      7.825454
  C      -7.360919     -3.014155      4.338570
  C      -7.010890     -1.814122      3.456244
  C      -7.973011     -1.699733      2.271061
  C      -8.050724     -3.021172      1.500184
  C      -8.382062     -4.181527      2.439575
  C      -2.559861     -5.252938      6.481821
  C      -3.679968     -5.441644      7.531021
  C      -3.369512     -5.098313      8.987709
  C      -4.591418     -5.291556      9.885410
  C      -4.374625     -4.913464     11.337850
  Cl     -3.153503     -5.983954     12.150268
  C      -1.371751     -6.195197      6.802830
  C      -0.142616     -5.824747      5.972989
  C       0.431710     -4.469726      6.441308
  C      -0.636334     -3.642370      7.171676
  C      -2.004973     -3.796018      6.504935
  H      -0.666715     -2.474495      0.750500
  H      -0.769845     -0.872325      1.441076
  H      -0.113946     -3.411040      3.032965
  H      -0.153060     -1.785109      3.703571
  H       1.662938     -2.527801      1.343028
  H       1.721645     -1.055968      2.316691
  H       2.331923     -2.512585      4.343988
  H       3.546818     -2.478994      3.030306
  H      -3.928839     -1.437112      3.292174
  H      -2.295690     -1.311249      3.979189
  H      -1.821382      0.636410      2.445221
  H      -3.232187      0.931791      3.458684
  H      -3.642682      1.578283      1.049365
  H      -4.761417      0.327679      1.618269
  H      -2.252874     -0.131356     -0.088809
  H      -3.925111     -0.300133     -0.620183
  H      -2.935386     -2.522159     -0.107599
  H      -4.308787     -2.175166      0.957265
  H      -8.854097     -5.249275      4.815602
  H      -7.886972     -6.418134      3.924051
  H      -7.107881     -4.937400      6.488164
  H      -5.881905     -5.644285      5.427724
  H      -6.394567     -7.219909      7.204819
  H      -6.935852     -7.893182      5.659257
  H      -9.298890     -7.257008      6.192860
  H      -8.751065     -6.493220      7.712712
  H      -6.712587     -3.078392      5.218944
  H      -8.385706     -2.888588      4.729453
  H      -7.025354     -0.883445      4.048382
  H      -5.987930     -1.952579      3.064484
  H      -7.661100     -0.880530      1.603576
  H      -8.980161     -1.441036      2.644663
  H      -7.080507     -3.210830      1.010850
  H      -8.806365     -2.952585      0.701525
  H      -8.516715     -5.118642      1.880372
  H      -9.351639     -3.982930      2.928508
  H      -4.538672     -4.836831      7.193361
  H      -4.018360     -6.492091      7.481637
  H      -2.548151     -5.723550      9.369218
  H      -3.029750     -4.051394      9.070608
  H      -4.944107     -6.334430      9.828136
  H      -5.422342     -4.661876      9.516924
  H      -3.987312     -3.891526     11.440717
  H      -5.292592     -5.014197     11.928386
  H      -1.658127     -7.245091      6.664488
  H      -1.124022     -6.100019      7.871569
  H      -0.443359     -5.751207      4.914926
  H       0.624463     -6.610983      6.027653
  H       1.296290     -4.626719      7.105046
  H       0.803994     -3.910115      5.570842
  H      -0.350078     -2.578523      7.183920
  H      -0.699925     -3.951369      8.227256
  H      -2.719426     -3.128171      7.010195
  H      -1.920087     -3.465290      5.455755
  N      -4.453865     -2.589268      5.238121
  H      -5.102723     -1.860528      4.926338
  H      -3.560730     -2.122702      5.406316
  H      -4.782473     -2.906717      6.154911
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439593465273
  N      -2.702300     -3.548859      2.449014
  C      -2.098273     -4.529051      1.530772
  C      -2.302199     -5.942484      2.045288
  N      -3.682750     -6.083384      2.549001
  C      -4.677577     -6.052198      1.465896
  C      -6.044400     -5.715028      2.027006
  N      -5.970430     -4.644729      3.031246
  Mo     -4.059587     -4.332536      3.756939
  N      -3.171826     -5.528203      5.131287
  C      -3.100132     -6.950945      4.762342
  C      -3.858275     -7.222245      3.471703
  H      -3.532278     -7.607070      5.544816
  H      -2.053883     -7.294317      4.635443
  H      -4.935281     -7.303210      3.669844
  H      -3.517901     -8.174151      3.015492
  H      -6.668657     -5.428194      1.161888
  H      -6.515182     -6.632591      2.436957
  H      -4.364683     -5.264058      0.769480
  H      -4.705179     -7.012864      0.914391
  H      -1.006773     -4.393864      1.421890
  H      -2.503631     -4.441068      0.502246
  H      -1.628345     -6.124250      2.892366
  H      -2.084316     -6.691035      1.259562
  C      -2.430271     -2.155215      1.992980
  C      -0.929154     -1.930600      1.678326
  C       0.045490     -2.345645      2.778513
  C       1.500109     -2.133550      2.358776
  C       2.522286     -2.752197      3.292828
  Cl      2.483792     -4.567498      3.224582
  C      -2.885936     -1.162113      3.071757
  C      -2.853569      0.307859      2.648137
  C      -3.701167      0.536865      1.394651
  C      -3.266471     -0.400449      0.267093
  C      -3.276626     -1.863066      0.722383
  C      -7.332290     -4.349518      3.561980
  C      -7.817284     -5.478896      4.512928
  C      -6.935817     -5.703594      5.739837
  C      -7.124093     -7.064637      6.417823
  C      -8.517026     -7.229864      6.994657
  Cl     -8.692864     -8.806104      7.874439
  C      -7.372339     -3.008252      4.316917
  C      -7.030850     -1.814909      3.422506
  C      -7.993638     -1.718197      2.236490
  C      -8.062167     -3.047519      1.478886
  C      -8.385607     -4.200286      2.429937
  C      -2.558643     -5.259260      6.481327
  C      -3.680250     -5.444320      7.529292
  C      -3.367718     -5.107249      8.987049
  C      -4.590154     -5.296845      9.884762
  C      -4.370583     -4.926278     11.338594
  Cl     -3.154757     -6.006826     12.145786
  C      -1.374725     -6.207223      6.801549
  C      -0.144033     -5.842343      5.971949
  C       0.436585     -4.490853      6.442630
  C      -0.627780     -3.659731      7.174390
  C      -1.997194     -3.805036      6.506879
  H      -0.668879     -2.468302      0.751259
  H      -0.772030     -0.866506      1.442483
  H      -0.114699     -3.403766      3.034615
  H      -0.150571     -1.776911      3.702710
  H       1.662398     -2.530140      1.342819
  H       1.722033     -1.052335      2.307389
  H       2.336267     -2.490485      4.342904
  H       3.547942     -2.472535      3.026191
  H      -3.924099     -1.436271      3.304426
  H      -2.289017     -1.314350      3.986057
  H      -1.817705      0.638799      2.458576
  H      -3.225235      0.931326      3.477424
  H      -3.641747      1.588466      1.072145
  H      -4.760304      0.336788      1.638610
  H      -2.256814     -0.117459     -0.077060
  H      -3.930572     -0.282680     -0.604634
  H      -2.940130     -2.507231     -0.104357
  H      -4.311522     -2.164907      0.964395
  H      -8.852015     -5.245272      4.816547
  H      -7.879375     -6.418679      3.937051
  H      -7.103712     -4.905637      6.483650
  H      -5.878074     -5.624957      5.431783
  H      -6.387916     -7.178805      7.228823
  H      -6.930529     -7.871958      5.692637
  H      -9.293475     -7.231704      6.220981
  H      -8.744766     -6.446627      7.729533
  H      -6.724731     -3.058658      5.198651
  H      -8.398352     -2.885956      4.705909
  H      -7.050389     -0.878329      4.005201
  H      -6.007579     -1.951369      3.031506
  H      -7.687775     -0.903303      1.560933
  H      -9.002508     -1.462917      2.607932
  H      -7.090745     -3.235580      0.991330
  H      -8.818349     -2.992011      0.679675
  H      -8.515252     -5.143563      1.880219
  H      -9.356355     -4.002714      2.917141
  H      -4.534919     -4.833049      7.193109
  H      -4.025633     -6.492378      7.476862
  H      -2.549514     -5.738098      9.366180
  H      -3.022292     -4.062443      9.073449
  H      -4.949416     -6.337216      9.823126
  H      -5.417492     -4.660528      9.519458
  H      -3.977814     -3.906846     11.445990
  H      -5.288780     -5.024559     11.929247
  H      -1.666517     -7.255590      6.662873
  H      -1.126298     -6.113702      7.870298
  H      -0.444872     -5.765905      4.914082
  H       0.619335     -6.632296      6.025025
  H       1.300348     -4.653134      7.106207
  H       0.811620     -3.931243      5.573634
  H      -0.336103     -2.597372      7.189008
  H      -0.693231     -3.970765      8.229277
  H      -2.709154     -3.134328      7.011897
  H      -1.909587     -3.473630      5.458076
  N      -4.456770     -2.593976      5.240277
  H      -5.104508     -1.862656      4.931900
  H      -3.562969     -2.129258      5.411074
  H      -4.785935     -2.914514      6.155882
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439608571321
  N      -2.702996     -3.545740      2.446482
  C      -2.100366     -4.524372      1.526295
  C      -2.300145     -5.937922      2.041679
  N      -3.679752     -6.081984      2.547498
  C      -4.676749     -6.053495      1.466230
  C      -6.042999     -5.718884      2.030071
  N      -5.969666     -4.645729      3.031413
  Mo     -4.058101     -4.331625      3.755622
  N      -3.167956     -5.526216      5.129511
  C      -3.091288     -6.948568      4.759312
  C      -3.850849     -7.221683      3.470123
  H      -3.519153     -7.606731      5.542282
  H      -2.043872     -7.287708      4.630286
  H      -4.927341     -7.305266      3.670268
  H      -3.509051     -8.172438      3.012658
  H      -6.670367     -5.436227      1.165762
  H      -6.510120     -6.636935      2.443333
  H      -4.367002     -5.265149      0.768651
  H      -4.703594     -7.014713      0.915597
  H      -1.009452     -4.386958      1.413559
  H      -2.509669     -4.436981      0.499235
  H      -1.624774     -6.117156      2.888128
  H      -2.081520     -6.686578      1.256260
  C      -2.430746     -2.151971      1.992339
  C      -0.929393     -1.929778      1.677063
  C       0.044424     -2.349571      2.776268
  C       1.499575     -2.143926      2.355544
  C       2.520066     -2.764507      3.290090
  Cl      2.472473     -4.579783      3.229016
  C      -2.884536     -1.159548      3.072533
  C      -2.851193      0.310898      2.650493
  C      -3.699514      0.541825      1.397851
  C      -3.266501     -0.394659      0.268898
  C      -3.277252     -1.857891      0.722375
  C      -7.331945     -4.350664      3.560769
  C      -7.815682     -5.477462      4.515175
  C      -6.933037     -5.697937      5.741956
  C      -7.127532     -7.052610      6.430926
  C      -8.519763     -7.205776      7.012800
  Cl     -8.700844     -8.773427      7.906775
  C      -7.374561     -3.006714      4.310938
  C      -7.032557     -1.816506      3.412650
  C      -7.994167     -1.724834      2.225245
  C      -8.061191     -3.057061      1.472426
  C      -8.384574     -4.206650      2.427389
  C      -2.557009     -5.258347      6.481057
  C      -3.679124     -5.449906      7.527266
  C      -3.369012     -5.117000      8.986526
  C      -4.591534     -5.314351      9.882442
  C      -4.374290     -4.949866     11.338148
  Cl     -3.154759     -6.029434     12.141090
  C      -1.369964     -6.202985      6.799354
  C      -0.140232     -5.830492      5.971535
  C       0.435206     -4.478631      6.447411
  C      -0.632787     -3.653726      7.181033
  C      -2.000616     -3.802295      6.511096
  H      -0.670962     -2.466488      0.748820
  H      -0.770216     -0.865645      1.442980
  H      -0.120446     -3.407113      3.032024
  H      -0.148556     -1.780390      3.700875
  H       1.659750     -2.542584      1.340056
  H       1.725765     -1.063621      2.302575
  H       2.337481     -2.497580      4.339473
  H       3.546596     -2.491039      3.020336
  H      -3.922849     -1.432790      3.305679
  H      -2.287202     -1.313309      3.986312
  H      -1.815166      0.641144      2.460672
  H      -3.221834      0.933711      3.480735
  H      -3.639260      1.593723      1.076397
  H      -4.758668      0.342580      1.642356
  H      -2.256970     -0.112028     -0.075903
  H      -3.931289     -0.275529     -0.602123
  H      -2.940896     -2.501166     -0.105206
  H      -4.312240     -2.159810      0.963896
  H      -8.850280     -5.243345      4.818940
  H      -7.877670     -6.419091      3.942230
  H      -7.094889     -4.893198      6.479791
  H      -5.875660     -5.627129      5.430975
  H      -6.389897     -7.164799      7.240981
  H      -6.940506     -7.866650      5.711527
  H      -9.298408     -7.210701      6.241356
  H      -8.741849     -6.415132      7.741474
  H      -6.728876     -3.052555      5.194385
  H      -8.401522     -2.884181      4.697374
  H      -7.052875     -0.877740      3.991769
  H      -6.008720     -1.954541      3.023652
  H      -7.688391     -0.912142      1.546981
  H      -9.003609     -1.468949      2.594785
  H      -7.089280     -3.246285      0.986290
  H      -8.816814     -3.005047      0.672429
  H      -8.513143     -5.152089      1.880982
  H      -9.355832     -4.008179      2.913186
  H      -4.534814     -4.839399      7.192324
  H      -4.022212     -6.498574      7.471150
  H      -2.548881     -5.746383      9.363973
  H      -3.027424     -4.071294      9.077277
  H      -4.947753     -6.355461      9.815617
  H      -5.420459     -4.678749      9.519447
  H      -3.985733     -3.929390     11.450913
  H      -5.292494     -5.054601     11.927706
  H      -1.657713     -7.252024      6.657556
  H      -1.122612     -6.111640      7.868566
  H      -0.441053     -5.751113      4.913853
  H       0.626151     -6.617690      6.021812
  H       1.299003     -4.640182      7.111135
  H       0.808955     -3.914485      5.580620
  H      -0.344942     -2.590389      7.199399
  H      -0.698208     -3.968475      8.234816
  H      -2.716081     -3.135377      7.016086
  H      -1.911986     -3.468647      5.463053
  N      -4.462574     -2.596021      5.238659
  H      -5.107777     -1.861487      4.932194
  H      -3.567926     -2.134587      5.413711
  H      -4.794616     -2.919416      6.152224
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439625708400
  N      -2.703442     -3.543610      2.438868
  C      -2.105112     -4.519221      1.513827
  C      -2.295595     -5.932911      2.031684
  N      -3.672280     -6.083269      2.543923
  C      -4.674923     -6.060542      1.467726
  C      -6.039213     -5.730352      2.038286
  N      -5.966331     -4.650799      3.033071
  Mo     -4.052387     -4.333368      3.752168
  N      -3.156308     -5.524862      5.125164
  C      -3.069467     -6.946447      4.752687
  C      -3.833076     -7.224000      3.467304
  H      -3.487654     -7.608738      5.537151
  H      -2.019795     -7.276726      4.618323
  H      -4.908219     -7.313095      3.672694
  H      -3.488672     -8.172625      3.007497
  H      -6.673431     -5.456816      1.176026
  H      -6.498545     -6.649104      2.459013
  H      -4.371978     -5.272479      0.766870
  H      -4.701268     -7.023194      0.919402
  H      -1.015750     -4.377657      1.391698
  H      -2.523954     -4.433352      0.490408
  H      -1.615773     -6.106898      2.875744
  H      -2.076782     -6.682040      1.246760
  C      -2.433354     -2.147975      1.990860
  C      -0.932176     -1.923740      1.675132
  C       0.041852     -2.352273      2.770737
  C       1.497049     -2.154347      2.347304
  C       2.516855     -2.777625      3.280658
  Cl      2.456911     -4.592776      3.229318
  C      -2.886759     -1.161665      3.076743
  C      -2.854702      0.311070      2.662614
  C      -3.704770      0.547520      1.412167
  C      -3.272425     -0.382617      0.277656
  C      -3.280931     -1.848434      0.723054
  C      -7.329719     -4.352726      3.558557
  C      -7.816566     -5.472838      4.519215
  C      -6.935288     -5.689578      5.747468
  C      -7.150956     -7.030203      6.457408
  C      -8.543353     -7.151674      7.046352
  Cl     -8.744945     -8.701192      7.967220
  C      -7.375473     -3.002925      4.298235
  C      -7.028039     -1.820229      3.392208
  C      -7.984991     -1.736682      2.200489
  C      -8.051671     -3.074938      1.458184
  C      -8.379642     -4.216301      2.421458
  C      -2.549567     -5.258168      6.479660
  C      -3.673300     -5.459975      7.522090
  C      -3.368326     -5.133989      8.984038
  C      -4.591671     -5.343853      9.875961
  C      -4.378720     -4.991016     11.335154
  Cl     -3.154241     -6.070540     12.130698
  C      -1.356987     -6.196303      6.796892
  C      -0.127533     -5.810672      5.974453
  C       0.437457     -4.458110      6.460367
  C      -0.638912     -3.643795      7.193811
  C      -2.002508     -3.798952      6.516856
  H      -0.675184     -2.454160      0.742844
  H      -0.773140     -0.858144      1.447887
  H      -0.129148     -3.409509      3.023606
  H      -0.146000     -1.784835      3.697548
  H       1.653520     -2.554666      1.331877
  H       1.728408     -1.075093      2.292928
  H       2.341177     -2.503529      4.329371
  H       3.543952     -2.512702      3.004470
  H      -3.925038     -1.436349      3.308742
  H      -2.289493     -1.320600      3.989745
  H      -1.819067      0.642935      2.473539
  H      -3.224940      0.929208      3.496525
  H      -3.645675      1.601142      1.096040
  H      -4.763523      0.346312      1.656895
  H      -2.263720     -0.097094     -0.067176
  H      -3.938614     -0.259616     -0.591767
  H      -2.943182     -2.486632     -0.107993
  H      -4.315423     -2.153669      0.962411
  H      -8.850639     -5.234081      4.821367
  H      -7.881149     -6.417709      3.951885
  H      -7.081924     -4.870829      6.472987
  H      -5.877815     -5.640193      5.433271
  H      -6.412526     -7.143115      7.266770
  H      -6.980421     -7.858111      5.749752
  H      -9.325035     -7.157969      6.278008
  H      -8.751066     -6.345767      7.762482
  H      -6.735748     -3.040362      5.186377
  H      -8.404798     -2.877318      4.677462
  H      -7.048718     -0.876825      3.963726
  H      -6.002698     -1.963693      3.009017
  H      -7.675974     -0.929764      1.516782
  H      -8.995439     -1.476466      2.564339
  H      -7.078622     -3.269863      0.976609
  H      -8.804821     -3.028247      0.655492
  H      -8.508755     -5.165923      1.882366
  H      -9.351752     -4.012575      2.903360
  H      -4.530160     -4.850357      7.188605
  H      -4.013075     -6.509401      7.459653
  H      -2.545407     -5.761023      9.359394
  H      -3.032947     -4.086933      9.082189
  H      -4.943903     -6.385678      9.799412
  H      -5.422455     -4.708362      9.516941
  H      -3.996501     -3.969312     11.458157
  H      -5.297241     -5.106409     11.922276
  H      -1.637027     -7.246641      6.650064
  H      -1.113227     -6.108005      7.867240
  H      -0.426068     -5.726582      4.916463
  H       0.644191     -6.592804      6.021767
  H       1.299421     -4.618112      7.126891
  H       0.811576     -3.886473      5.598500
  H      -0.358127     -2.578724      7.218478
  H      -0.706504     -3.964199      8.245758
  H      -2.725299     -3.138289      7.019664
  H      -1.910267     -3.462511      5.469913
  N      -4.468380     -2.602896      5.234159
  H      -5.109580     -1.861998      4.933861
  H      -3.571503     -2.147881      5.414710
  H      -4.802855     -2.931676      6.144937
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439634207873
  N      -2.703487     -3.540933      2.433026
  C      -2.108185     -4.515406      1.505676
  C      -2.293417     -5.928876      2.025685
  N      -3.668210     -6.082159      2.541752
  C      -4.674043     -6.062793      1.468646
  C      -6.037010     -5.735150      2.043263
  N      -5.964958     -4.651056      3.033402
  Mo     -4.049446     -4.331758      3.748970
  N      -3.150594     -5.520651      5.122538
  C      -3.057318     -6.941790      4.749269
  C      -3.823193     -7.222741      3.466279
  H      -3.469846     -7.606411      5.534665
  H      -2.006265     -7.266744      4.611980
  H      -4.897509     -7.314947      3.674807
  H      -3.477324     -8.170530      3.005926
  H      -6.675623     -5.468716      1.182193
  H      -6.490701     -6.654462      2.469178
  H      -4.374973     -5.275267      0.765568
  H      -4.700469     -7.026413      0.921879
  H      -1.019798     -4.371762      1.377692
  H      -2.532895     -4.431006      0.484540
  H      -1.610709     -6.099690      2.868107
  H      -2.074921     -6.678708      1.241364
  C      -2.433027     -2.144824      1.987360
  C      -0.931519     -1.921820      1.671496
  C       0.041351     -2.356432      2.765668
  C       1.497167     -2.169463      2.340017
  C       2.514086     -2.795957      3.274316
  Cl      2.439691     -4.610872      3.232500
  C      -2.884700     -1.159713      3.074913
  C      -2.850087      0.313610      2.663352
  C      -3.701067      0.552877      1.414105
  C      -3.270543     -0.375656      0.277580
  C      -3.280169     -1.842435      0.720037
  C      -7.329058     -4.354402      3.558833
  C      -7.814570     -5.474967      4.519372
  C      -6.927944     -5.698059      5.742317
  C      -7.157703     -7.031932      6.460363
  C      -8.546440     -7.130491      7.062097
  Cl     -8.761032     -8.672016      7.993445
  C      -7.378026     -3.004253      4.297778
  C      -7.031092     -1.821564      3.391698
  C      -7.987205     -1.739554      2.199313
  C      -8.052862     -3.078408      1.457989
  C      -8.380178     -4.219162      2.422246
  C      -2.547686     -5.254218      6.479387
  C      -3.673051     -5.462122      7.518877
  C      -3.371945     -5.139064      8.982401
  C      -4.595566     -5.356442      9.872119
  C      -4.384880     -5.009869     11.333147
  Cl     -3.157269     -6.088948     12.124526
  C      -1.352044     -6.188294      6.797394
  C      -0.121257     -5.794416      5.980732
  C       0.436572     -4.441970      6.474692
  C      -0.646737     -3.633753      7.204790
  C      -2.006501     -3.793209      6.521152
  H      -0.675978     -2.449709      0.737406
  H      -0.770645     -0.855851      1.447501
  H      -0.137128     -3.412217      3.019050
  H      -0.141273     -1.787491      3.692606
  H       1.650081     -2.574213      1.325814
  H       1.735515     -1.091893      2.281648
  H       2.343360     -2.514844      4.321935
  H       3.542489     -2.540754      2.993856
  H      -3.923681     -1.432628      3.305587
  H      -2.288447     -1.322209      3.987948
  H      -1.814068      0.643929      2.473843
  H      -3.218561      0.931202      3.498414
  H      -3.641449      1.606941      1.099566
  H      -4.759690      0.352176      1.659601
  H      -2.261811     -0.090494     -0.067425
  H      -3.937252     -0.250230     -0.591074
  H      -2.942071     -2.479230     -0.111964
  H      -4.314962     -2.147740      0.957748
  H      -8.846490     -5.233830      4.827037
  H      -7.884701     -6.418534      3.950580
  H      -7.056998     -4.873446      6.464562
  H      -5.872306     -5.664885      5.420115
  H      -6.414031     -7.152321      7.263685
  H      -7.005782     -7.865605      5.755232
  H      -9.334984     -7.130564      6.300799
  H      -8.737059     -6.317969      7.775479
  H      -6.740888     -3.038755      5.187806
  H      -8.408509     -2.880313      4.674488
  H      -7.053330     -0.877989      3.962844
  H      -6.005143     -1.964139      3.010047
  H      -7.678527     -0.932863      1.515180
  H      -8.998078     -1.479780      2.562279
  H      -7.079612     -3.273426      0.977004
  H      -8.805858     -3.032696      0.655113
  H      -8.509781     -5.169240      1.884208
  H      -9.351968     -4.015430      2.904754
  H      -4.530810     -4.853765      7.185492
  H      -4.010302     -6.512132      7.452847
  H      -2.547037     -5.763758      9.357282
  H      -3.041081     -4.090918      9.083927
  H      -4.944989     -6.398753      9.790523
  H      -5.427817     -4.721600      9.515399
  H      -4.006416     -3.987462     11.461671
  H      -5.303400     -5.131449     11.919018
  H      -1.626872     -7.239364      6.646549
  H      -1.112243     -6.102392      7.868850
  H      -0.415948     -5.706920      4.921975
  H       0.653401     -6.573642      6.027653
  H       1.295134     -4.601688      7.145679
  H       0.814237     -3.865891      5.617321
  H      -0.370478     -2.567635      7.233348
  H      -0.717786     -3.957052      8.255605
  H      -2.734269     -3.136289      7.021723
  H      -1.911039     -3.455178      5.474993
  N      -4.473982     -2.605874      5.230962
  H      -5.109839     -1.858621      4.934574
  H      -3.575104     -2.157608      5.418378
  H      -4.813245     -2.938912      6.138432
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439639468806
  N      -2.703508     -3.541289      2.430574
  C      -2.109512     -4.514688      1.501300
  C      -2.292127     -5.928537      2.021475
  N      -3.665665     -6.083379      2.540287
  C      -4.673477     -6.065951      1.469017
  C      -6.035869     -5.739608      2.045778
  N      -5.963909     -4.653413      3.033634
  Mo     -4.048027     -4.332833      3.747366
  N      -3.146995     -5.519927      5.121085
  C      -3.050707     -6.940804      4.747662
  C      -3.817225     -7.223779      3.465520
  H      -3.461312     -7.606573      5.533179
  H      -1.999011     -7.263432      4.609617
  H      -4.891062     -7.318293      3.675347
  H      -3.469994     -8.171162      3.005364
  H      -6.676614     -5.476388      1.185301
  H      -6.486873     -6.659124      2.474177
  H      -4.376573     -5.278741      0.764673
  H      -4.699977     -7.029976      0.922910
  H      -1.021566     -4.370145      1.370780
  H      -2.536776     -4.430368      0.481248
  H      -1.607240     -6.098837      2.862238
  H      -2.074477     -6.678010      1.236576
  C      -2.433855     -2.144406      1.987218
  C      -0.932479     -1.919780      1.671345
  C       0.040704     -2.356523      2.764454
  C       1.496540     -2.172872      2.337490
  C       2.512621     -2.801637      3.271249
  Cl      2.433457     -4.616474      3.229320
  C      -2.885850     -1.161740      3.077009
  C      -2.852197      0.312359      2.668375
  C      -3.704322      0.553262      1.420176
  C      -3.273461     -0.372456      0.281447
  C      -3.281588     -1.840220      0.720739
  C      -7.328157     -4.355060      3.557839
  C      -7.815770     -5.472968      4.520471
  C      -6.928191     -5.697069      5.742525
  C      -7.166131     -7.025374      6.467985
  C      -8.553534     -7.109867      7.074958
  Cl     -8.776960     -8.644733      8.015298
  C      -7.377377     -3.003245      4.293741
  C      -7.027841     -1.822746      3.385794
  C      -7.981876     -1.742585      2.191630
  C      -8.048189     -3.083146      1.453412
  C      -8.378219     -4.221175      2.420022
  C      -2.545330     -5.253032      6.478361
  C      -3.670476     -5.466019      7.517130
  C      -3.371937     -5.144363      8.981424
  C      -4.595584     -5.368464      9.869407
  C      -4.387460     -5.024816     11.331513
  Cl     -3.157172     -6.101951     12.121443
  C      -1.347068     -6.184079      6.795559
  C      -0.116444     -5.784972      5.981169
  C       0.437283     -4.432466      6.479342
  C      -0.649838     -3.627953      7.207918
  C      -2.008278     -3.790618      6.522386
  H      -0.676945     -2.445496      0.736046
  H      -0.772071     -0.853274      1.449686
  H      -0.139903     -3.411943      3.017756
  H      -0.139756     -1.787435      3.691727
  H       1.647857     -2.578693      1.323468
  H       1.737246     -1.095887      2.278133
  H       2.343101     -2.520297      4.318971
  H       3.541479     -2.549027      2.990123
  H      -3.924828     -1.435530      3.307104
  H      -2.289418     -1.326366      3.989545
  H      -1.816554      0.643666      2.478564
  H      -3.220339      0.928303      3.504797
  H      -3.646380      1.608001      1.107616
  H      -4.762476      0.350670      1.666150
  H      -2.265122     -0.085596     -0.063339
  H      -3.940714     -0.245641     -0.586582
  H      -2.943030     -2.475021     -0.112598
  H      -4.316090     -2.146949      0.957882
  H      -8.846567     -5.228224      4.829062
  H      -7.889572     -6.417236      3.953305
  H      -7.048704     -4.867896      6.461114
  H      -5.873078     -5.673433      5.417825
  H      -6.420627     -7.147525      7.269356
  H      -7.023374     -7.863891      5.766703
  H      -9.344581     -7.107919      6.316261
  H      -8.735505     -6.292096      7.784572
  H      -6.742336     -3.035800      5.185264
  H      -8.408551     -2.877680      4.668001
  H      -7.050731     -0.878034      3.955031
  H      -6.001208     -1.966419      3.006487
  H      -7.671029     -0.937952      1.506041
  H      -8.993032     -1.480633      2.552234
  H      -7.074378     -3.280716      0.974607
  H      -8.799845     -3.038344      0.649249
  H      -8.508514     -5.172431      1.884246
  H      -9.350151     -4.015054      2.901219
  H      -4.530123     -4.860112      7.184173
  H      -4.004107     -6.517036      7.448990
  H      -2.544865     -5.766325      9.356078
  H      -3.045495     -4.095032      9.084886
  H      -4.940977     -6.411911      9.784991
  H      -5.429937     -4.735920      9.513531
  H      -4.012361     -4.001532     11.462862
  H      -5.306137     -5.150867     11.916178
  H      -1.618350     -7.235682      6.642094
  H      -1.108611     -6.099790      7.867445
  H      -0.409703     -5.695650      4.922207
  H       0.660088     -6.562387      6.027331
  H       1.294033     -4.591881      7.152730
  H       0.816771     -3.853909      5.624421
  H      -0.376841     -2.561036      7.237920
  H      -0.721592     -3.952407      8.258318
  H      -2.738134     -3.136435      7.023560
  H      -1.913327     -3.450827      5.476772
  N      -4.475243     -2.608173      5.228579
  H      -5.110955     -1.860150      4.933654
  H      -3.576284     -2.160167      5.416495
  H      -4.814337     -2.942233      6.135788
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439644454817
  N      -2.703694     -3.541239      2.428919
  C      -2.110325     -4.513371      1.497718
  C      -2.291155     -5.928030      2.016800
  N      -3.663530     -6.084153      2.538091
  C      -4.673117     -6.068146      1.468487
  C      -6.035049     -5.743463      2.047307
  N      -5.963274     -4.655574      3.033233
  Mo     -4.047415     -4.333767      3.745727
  N      -3.144405     -5.519550      5.119504
  C      -3.045788     -6.940048      4.745562
  C      -3.812291     -7.224470      3.463691
  H      -3.455495     -7.607144      5.530565
  H      -1.993586     -7.260830      4.607237
  H      -4.885775     -7.321389      3.674114
  H      -3.463438     -8.171439      3.003859
  H      -6.677745     -5.483156      1.187403
  H      -6.483433     -6.663252      2.477958
  H      -4.378240     -5.280844      0.763362
  H      -4.699536     -7.032241      0.922455
  H      -1.022653     -4.368148      1.365819
  H      -2.539071     -4.428423      0.478384
  H      -1.604168     -6.099343      2.855663
  H      -2.074781     -6.676390      1.230482
  C      -2.434544     -2.143491      1.987758
  C      -0.933349     -1.917172      1.672111
  C       0.040151     -2.355418      2.764295
  C       1.496071     -2.175109      2.336021
  C       2.511103     -2.806677      3.269163
  Cl      2.427440     -4.621433      3.225494
  C      -2.886931     -1.163190      3.079670
  C      -2.854125      0.311630      2.673807
  C      -3.707133      0.554255      1.426503
  C      -3.275666     -0.368707      0.285747
  C      -3.282608     -1.837390      0.721954
  C      -7.327631     -4.356271      3.556592
  C      -7.816218     -5.472382      4.520883
  C      -6.926045     -5.698515      5.740591
  C      -7.170713     -7.021849      6.472686
  C      -8.555506     -7.092349      7.087458
  Cl     -8.786566     -8.620970      8.036163
  C      -7.377526     -3.003280      4.290340
  C      -7.026989     -1.823989      3.381235
  C      -7.979456     -1.745746      2.185664
  C      -8.045622     -3.087572      1.449736
  C      -8.377106     -4.223788      2.417989
  C      -2.543623     -5.252252      6.477102
  C      -3.668981     -5.467453      7.515208
  C      -3.372693     -5.145992      8.979932
  C      -4.596619     -5.374717      9.866351
  C      -4.391081     -5.031898     11.329039
  Cl     -3.159610     -6.107328     12.119489
  C      -1.344339     -6.181879      6.795011
  C      -0.113133     -5.781068      5.982493
  C       0.439077     -4.429192      6.483781
  C      -0.650732     -3.625400      7.209224
  C      -2.008161     -3.789391      6.521942
  H      -0.677565     -2.440986      0.735840
  H      -0.773552     -0.850159      1.452482
  H      -0.142538     -3.410375      3.018040
  H      -0.138084     -1.785668      3.691606
  H       1.645693     -2.582015      1.322159
  H       1.739327     -1.098789      2.275663
  H       2.341992     -2.526369      4.317210
  H       3.540556     -2.556172      2.988400
  H      -3.925808     -1.437871      3.309264
  H      -2.290077     -1.329762      3.991577
  H      -1.818823      0.643875      2.483714
  H      -3.221928      0.926055      3.511507
  H      -3.650866      1.609655      1.115930
  H      -4.764867      0.349721      1.672764
  H      -2.267546     -0.080261     -0.058412
  H      -3.943127     -0.240413     -0.581910
  H      -2.943739     -2.470308     -0.112671
  H      -4.316881     -2.145285      0.958606
  H      -8.845460     -5.224121      4.831846
  H      -7.894423     -6.416839      3.954593
  H      -7.037066     -4.865665      6.456576
  H      -5.871949     -5.683789      5.412095
  H      -6.421830     -7.146395      7.270510
  H      -7.038640     -7.864624      5.774445
  H      -9.350405     -7.087402      6.332800
  H      -8.727039     -6.269808      7.794139
  H      -6.743815     -3.034261      5.182830
  H      -8.409169     -2.877002      4.663026
  H      -7.051542     -0.878624      3.949347
  H      -5.999659     -1.967100      3.003703
  H      -7.667197     -0.942562      1.498998
  H      -8.990947     -1.482549      2.544415
  H      -7.071190     -3.286543      0.972777
  H      -8.796185     -3.043747      0.644523
  H      -8.507478     -5.175958      1.883882
  H      -9.349161     -4.016354      2.898384
  H      -4.529695     -4.863279      7.181828
  H      -4.000202     -6.519162      7.445940
  H      -2.544102     -5.765629      9.355109
  H      -3.049670     -4.095671      9.084115
  H      -4.938437     -6.419247      9.780690
  H      -5.432715     -4.744653      9.510178
  H      -4.018053     -4.007998     11.461521
  H      -5.310207     -5.160325     11.912461
  H      -1.613866     -7.233709      6.640213
  H      -1.107147     -6.098104      7.867228
  H      -0.404735     -5.690400      4.923215
  H       0.663635     -6.558270      6.028720
  H       1.293005     -4.589529      7.160544
  H       0.822434     -3.849884      5.631128
  H      -0.379151     -2.558117      7.239282
  H      -0.724195     -3.949452      8.259635
  H      -2.738709     -3.135940      7.023210
  H      -1.913222     -3.448971      5.476574
  N      -4.476509     -2.611041      5.227644
  H      -5.112318     -1.862815      4.933309
  H      -3.577986     -2.162491      5.416556
  H      -4.816023     -2.946161      6.134360
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439645243358
  N      -2.703775     -3.540685      2.428042
  C      -2.110567     -4.511935      1.495775
  C      -2.290006     -5.927077      2.014098
  N      -3.661643     -6.084303      2.536861
  C      -4.672383     -6.069521      1.468354
  C      -6.034036     -5.746377      2.048646
  N      -5.962770     -4.656997      3.032979
  Mo     -4.046949     -4.334061      3.744847
  N      -3.142403     -5.519043      5.118581
  C      -3.041764     -6.939211      4.744164
  C      -3.808269     -7.224700      3.462552
  H      -3.450488     -7.607332      5.528844
  H      -1.989094     -7.258295      4.605546
  H      -4.881494     -7.323476      3.673367
  H      -3.458092     -8.171204      3.002754
  H      -6.678168     -5.488536      1.189122
  H      -6.480314     -6.666327      2.481187
  H      -4.379156     -5.281919      0.762851
  H      -4.698342     -7.033653      0.922360
  H      -1.023111     -4.365919      1.362963
  H      -2.540342     -4.426692      0.476927
  H      -1.601791     -6.099024      2.851844
  H      -2.074331     -6.674617      1.226823
  C      -2.434820     -2.142564      1.987838
  C      -0.933731     -1.915670      1.672253
  C       0.039981     -2.354348      2.764053
  C       1.495914     -2.176851      2.334535
  C       2.510427     -2.809146      3.267789
  Cl      2.423374     -4.623844      3.226198
  C      -2.887305     -1.163288      3.080675
  C      -2.855074      0.311841      2.675950
  C      -3.708415      0.555202      1.429020
  C      -3.276577     -0.366561      0.287442
  C      -3.282930     -1.835635      0.722267
  C      -7.327356     -4.357198      3.555621
  C      -7.816308     -5.472011      4.521301
  C      -6.924721     -5.698348      5.739832
  C      -7.174412     -7.017371      6.477991
  C      -8.557285     -7.076943      7.098305
  Cl     -8.793839     -8.599573      8.055198
  C      -7.378093     -3.003258      4.287589
  C      -7.026994     -1.824986      3.377462
  C      -7.978427     -1.748399      2.180935
  C      -8.044434     -3.091278      1.446936
  C      -8.376589     -4.226069      2.416584
  C      -2.542474     -5.251910      6.476525
  C      -3.668049     -5.469393      7.513879
  C      -3.373417     -5.149317      8.979190
  C      -4.597513     -5.382634      9.864199
  C      -4.394223     -5.041467     11.327583
  Cl     -3.161217     -6.115445     12.117595
  C      -1.342269     -6.180457      6.794158
  C      -0.111262     -5.777416      5.982466
  C       0.439787     -4.426163      6.486517
  C      -0.651694     -3.623565      7.210841
  C      -2.008516     -3.788583      6.522584
  H      -0.677940     -2.438882      0.735658
  H      -0.774263     -0.848495      1.453230
  H      -0.144285     -3.408743      3.019029
  H      -0.136516     -1.783266      3.690881
  H       1.644112     -2.585478      1.321148
  H       1.741012     -1.101081      2.272443
  H       2.342149     -2.527708      4.315662
  H       3.540223     -2.560728      2.986501
  H      -3.925979     -1.438498      3.310332
  H      -2.289926     -1.330391      3.992123
  H      -1.819959      0.644604      2.485735
  H      -3.222776      0.925547      3.514221
  H      -3.652847      1.610887      1.119347
  H      -4.765977      0.349831      1.675314
  H      -2.268545     -0.077376     -0.056342
  H      -3.944032     -0.237691     -0.580128
  H      -2.943796     -2.467620     -0.112942
  H      -4.317057     -2.144205      0.958652
  H      -8.844724     -5.221754      4.833380
  H      -7.896707     -6.416839      3.955968
  H      -7.029516     -4.862262      6.453019
  H      -5.871305     -5.689961      5.408993
  H      -6.423241     -7.142917      7.273507
  H      -7.050083     -7.863896      5.782897
  H      -9.354909     -7.070848      6.346545
  H      -8.721265     -6.250023      7.801652
  H      -6.745383     -3.032885      5.180811
  H      -8.410118     -2.876633      4.659047
  H      -7.052652     -0.879046      3.944552
  H      -5.999226     -1.967938      3.001155
  H      -7.665335     -0.946377      1.493301
  H      -8.990112     -1.484327      2.538468
  H      -7.069671     -3.291110      0.971041
  H      -8.794446     -3.048442      0.641178
  H      -8.507108     -5.178934      1.883826
  H      -9.348665     -4.017700      2.896541
  H      -4.529318     -4.866002      7.180597
  H      -3.997714     -6.521502      7.443029
  H      -2.543559     -5.767399      9.354112
  H      -3.053190     -4.098313      9.085056
  H      -4.936228     -6.428020      9.776682
  H      -5.435109     -4.754492      9.508180
  H      -4.023432     -4.016983     11.461804
  H      -5.313641     -5.172672     11.909904
  H      -1.610424     -7.232445      6.638008
  H      -1.105583     -6.097427      7.866519
  H      -0.402709     -5.684932      4.923317
  H       0.666021     -6.554184      6.027318
  H       1.292132     -4.587383      7.165059
  H       0.825082     -3.845656      5.635559
  H      -0.381390     -2.555976      7.241349
  H      -0.725896     -3.947885      8.261112
  H      -2.739751     -3.136030      7.024029
  H      -1.913531     -3.447431      5.477481
  N      -4.477703     -2.612824      5.227299
  H      -5.112631     -1.863988      4.932551
  H      -3.579415     -2.164704      5.418343
  H      -4.819080     -2.948726      6.133031
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439647487638
  N      -2.704119     -3.540010      2.427509
  C      -2.110835     -4.510220      1.494181
  C      -2.289162     -5.925984      2.011151
  N      -3.660138     -6.084374      2.535211
  C      -4.672003     -6.070437      1.467736
  C      -6.033381     -5.749088      2.049573
  N      -5.962530     -4.658422      3.032486
  Mo     -4.046789     -4.334594      3.744033
  N      -3.140602     -5.519247      5.117371
  C      -3.038300     -6.939031      4.742145
  C      -3.804832     -7.225112      3.460700
  H      -3.446039     -7.608228      5.526428
  H      -1.985231     -7.256548      4.603052
  H      -4.877821     -7.325665      3.671847
  H      -3.453401     -8.171037      3.000613
  H      -6.679044     -5.493520      1.190530
  H      -6.477546     -6.669205      2.483968
  H      -4.380485     -5.282119      0.762271
  H      -4.697311     -7.034402      0.921421
  H      -1.023558     -4.363319      1.360870
  H      -2.541356     -4.424337      0.475694
  H      -1.599893     -6.099131      2.847808
  H      -2.074291     -6.672376      1.222567
  C      -2.435217     -2.141469      1.988315
  C      -0.934168     -1.914015      1.673307
  C       0.039514     -2.353323      2.764854
  C       1.495470     -2.177466      2.334625
  C       2.509762     -2.810189      3.267815
  Cl      2.421142     -4.624837      3.227363
  C      -2.888170     -1.163209      3.081853
  C      -2.856420      0.312273      2.678322
  C      -3.709432      0.556494      1.431340
  C      -3.276887     -0.364196      0.289172
  C      -3.282933     -1.833638      0.722687
  C      -7.327253     -4.358307      3.554495
  C      -7.816011     -5.472040      4.521608
  C      -6.922525     -5.698595      5.738571
  C      -7.177226     -7.013196      6.482940
  C      -8.557423     -7.060787      7.110332
  Cl     -8.799190     -8.576723      8.076348
  C      -7.378822     -3.003336      4.284576
  C      -7.027466     -1.826174      3.373197
  C      -7.978105     -1.751506      2.175858
  C      -8.043862     -3.095538      1.443931
  C      -8.376318     -4.228918      2.415082
  C      -2.541429     -5.252410      6.475708
  C      -3.667511     -5.470900      7.512244
  C      -3.374137     -5.151891      8.978027
  C      -4.598242     -5.389270      9.862032
  C      -4.397062     -5.048530     11.325803
  Cl     -3.162030     -6.120006     12.116004
  C      -1.340829     -6.180393      6.793613
  C      -0.110028     -5.775967      5.982249
  C       0.440718     -4.425544      6.488577
  C      -0.651848     -3.623292      7.211786
  C      -2.008155     -3.788864      6.522565
  H      -0.678091     -2.436371      0.736307
  H      -0.775093     -0.846598      1.455168
  H      -0.145845     -3.407397      3.020454
  H      -0.135855     -1.781424      3.691413
  H       1.642708     -2.586904      1.321414
  H       1.741713     -1.102021      2.271721
  H       2.341919     -2.528272      4.315643
  H       3.539745     -2.562748      2.986375
  H      -3.926638     -1.439072      3.311245
  H      -2.290556     -1.330589      3.993096
  H      -1.821369      0.645568      2.488620
  H      -3.224501      0.925139      3.517050
  H      -3.654058      1.612471      1.122635
  H      -4.767047      0.350619      1.677054
  H      -2.268778     -0.074404     -0.053876
  H      -3.943944     -0.234801     -0.578630
  H      -2.943303     -2.464685     -0.113031
  H      -4.316995     -2.142862      0.958507
  H      -8.843567     -5.220053      4.835153
  H      -7.898485     -6.417148      3.957069
  H      -7.020926     -4.859342      6.449003
  H      -5.869989     -5.696469      5.404962
  H      -6.423017     -7.140280      7.275317
  H      -7.061981     -7.863477      5.790894
  H      -9.358643     -7.053307      6.362420
  H      -8.712411     -6.229115      7.810107
  H      -6.746854     -3.031491      5.178361
  H      -8.411158     -2.876451      4.655055
  H      -7.054142     -0.879558      3.939100
  H      -5.999320     -1.969064      2.997899
  H      -7.664418     -0.950689      1.487096
  H      -8.989938     -1.486631      2.532367
  H      -7.068850     -3.296039      0.968840
  H      -8.793534     -3.053915      0.637795
  H      -8.506807     -5.182545      1.883682
  H      -9.348437     -4.019834      2.894649
  H      -4.528724     -4.867561      7.178812
  H      -3.996572     -6.523144      7.440241
  H      -2.543062     -5.768528      9.352638
  H      -3.056417     -4.100259      9.085311
  H      -4.933669     -6.435620      9.773509
  H      -5.437505     -4.763516      9.505719
  H      -4.028817     -4.023239     11.460917
  H      -5.316640     -5.182288     11.907283
  H      -1.608227     -7.232475      6.636893
  H      -1.104500     -6.097458      7.866044
  H      -0.401938     -5.681537      4.923396
  H       0.667466     -6.552625      6.025305
  H       1.291503     -4.588011      7.168783
  H       0.828022     -3.844322      5.639000
  H      -0.382227     -2.555534      7.242329
  H      -0.726930     -3.947459      8.262052
  H      -2.739872     -3.136633      7.023728
  H      -1.912589     -3.447490      5.477585
  N      -4.478912     -2.615108      5.227691
  H      -5.113574     -1.866386      4.932055
  H      -3.581235     -2.166700      5.420845
  H      -4.822044     -2.951885      6.132451
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439648478245
  N      -2.704317     -3.539532      2.426542
  C      -2.111285     -4.509052      1.492452
  C      -2.288367     -5.925079      2.008940
  N      -3.658820     -6.084530      2.534040
  C      -4.671614     -6.071375      1.467416
  C      -6.032699     -5.751348      2.050522
  N      -5.962147     -4.659502      3.032186
  Mo     -4.046224     -4.335013      3.743243
  N      -3.138779     -5.519350      5.116271
  C      -3.034905     -6.938873      4.740487
  C      -3.801808     -7.225545      3.459460
  H      -3.441286     -7.608811      5.524810
  H      -1.981468     -7.254936      4.600713
  H      -4.874560     -7.327309      3.671209
  H      -3.449620     -8.170985      2.998948
  H      -6.679698     -5.497730      1.191929
  H      -6.475124     -6.671572      2.486498
  H      -4.381508     -5.282549      0.761917
  H      -4.696385     -7.035311      0.921021
  H      -1.024239     -4.361279      1.358237
  H      -2.542883     -4.423021      0.474420
  H      -1.598344     -6.098469      2.844936
  H      -2.073903     -6.670934      1.219737
  C      -2.435435     -2.140730      1.988127
  C      -0.934349     -1.913123      1.673500
  C       0.039189     -2.353162      2.764874
  C       1.495135     -2.178001      2.334374
  C       2.509493     -2.810378      3.267642
  Cl      2.420158     -4.624990      3.229184
  C      -2.888583     -1.163123      3.082119
  C      -2.857060      0.312630      2.679464
  C      -3.709760      0.557544      1.432425
  C      -3.276957     -0.362517      0.289858
  C      -3.282876     -1.832223      0.722479
  C      -7.326986     -4.359104      3.553828
  C      -7.815543     -5.471845      4.522205
  C      -6.920966     -5.698078      5.738352
  C      -7.180271     -7.008749      6.488075
  C      -8.558339     -7.046147      7.120892
  Cl     -8.804440     -8.556106      8.095009
  C      -7.379118     -3.003258      4.282276
  C      -7.027257     -1.827229      3.369702
  C      -7.977421     -1.753945      2.171879
  C      -8.043374     -3.098943      1.441724
  C      -8.376066     -4.231064      2.414254
  C      -2.540587     -5.252907      6.475147
  C      -3.667205     -5.473087      7.510708
  C      -3.375072     -5.155526      8.977061
  C      -4.599021     -5.397189      9.860183
  C      -4.399755     -5.057117     11.324350
  Cl     -3.161805     -6.125418     12.114260
  C      -1.339236     -6.179995      6.792847
  C      -0.108826     -5.773151      5.981993
  C       0.440759     -4.423255      6.490730
  C      -0.653038     -3.622433      7.213788
  C      -2.008690     -3.788897      6.523412
  H      -0.678168     -2.434777      0.736130
  H      -0.775410     -0.845538      1.456096
  H      -0.146768     -3.407116      3.020492
  H      -0.135711     -1.781095      3.691427
  H       1.641974     -2.587783      1.321246
  H       1.741769     -1.102654      2.271107
  H       2.342340     -2.527283      4.315270
  H       3.539464     -2.563639      2.985523
  H      -3.926955     -1.439363      3.311322
  H      -2.290964     -1.330681      3.993328
  H      -1.821998      0.646191      2.490300
  H      -3.225469      0.924847      3.518519
  H      -3.654147      1.613707      1.124387
  H      -4.767486      0.351689      1.677659
  H      -2.268818     -0.072450     -0.052863
  H      -3.943812     -0.232777     -0.578044
  H      -2.942845     -2.462590     -0.113596
  H      -4.316911     -2.141925      0.957779
  H      -8.842637     -5.218864      4.836497
  H      -7.899104     -6.417320      3.958472
  H      -7.014581     -4.855967      6.446086
  H      -5.869062     -5.701223      5.402900
  H      -6.423875     -7.137218      7.278133
  H      -7.072438     -7.862164      5.798717
  H      -9.362393     -7.037882      6.376044
  H      -8.706085     -6.210316      7.817272
  H      -6.747907     -3.030118      5.176618
  H      -8.411745     -2.876058      4.651843
  H      -7.054099     -0.879934      3.934438
  H      -5.998943     -1.970795      2.995114
  H      -7.663297     -0.954165      1.482118
  H      -8.989265     -1.488243      2.527740
  H      -7.068376     -3.300189      0.966936
  H      -8.793009     -3.058233      0.635504
  H      -8.506820     -5.185308      1.884032
  H      -9.348135     -4.021242      2.893602
  H      -4.528393     -4.869720      7.177345
  H      -3.995731     -6.525412      7.437364
  H      -2.542697     -5.770765      9.351072
  H      -3.059876     -4.103317      9.086106
  H      -4.931280     -6.444441      9.770496
  H      -5.439954     -4.773697      9.503823
  H      -4.034794     -4.030808     11.460643
  H      -5.319253     -5.194208     11.905186
  H      -1.605498     -7.232228      6.635296
  H      -1.103325     -6.097507      7.865396
  H      -0.401345     -5.676733      4.923479
  H       0.669459     -6.549109      6.023060
  H       1.290741     -4.586392      7.171783
  H       0.828789     -3.840746      5.642345
  H      -0.384497     -2.554436      7.245148
  H      -0.728594     -3.947282      8.263806
  H      -2.741497     -3.137699      7.024273
  H      -1.912408     -3.446915      5.478688
  N      -4.479751     -2.616447      5.227322
  H      -5.113946     -1.867652      4.930888
  H      -3.582388     -2.168246      5.422318
  H      -4.824475     -2.953850      6.131244
114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca E -7161.439649307227
  N      -2.704477     -3.539769      2.426434
  C      -2.111406     -4.509079      1.492179
  C      -2.288402     -5.925233      2.008225
  N      -3.658785     -6.084923      2.533487
  C      -4.671751     -6.071614      1.466998
  C      -6.032766     -5.751920      2.050374
  N      -5.962146     -4.659819      3.031734
  Mo     -4.046160     -4.335666      3.743025
  N      -3.138463     -5.520294      5.115735
  C      -3.034484     -6.939715      4.739657
  C      -3.801527     -7.226188      3.458698
  H      -3.440507     -7.609758      5.524052
  H      -1.980992     -7.255578      4.599650
  H      -4.874227     -7.328073      3.670617
  H      -3.449301     -8.171435      2.997814
  H      -6.680157     -5.498727      1.191948
  H      -6.474811     -6.672119      2.486795
  H      -4.381939     -5.282389      0.761811
  H      -4.696273     -7.035402      0.920345
  H      -1.024394     -4.361022      1.358036
  H      -2.543069     -4.422824      0.474172
  H      -1.598314     -6.099050      2.844073
  H      -2.074159     -6.670788      1.218669
  C      -2.435508     -2.140897      1.988165
  C      -0.934343     -1.913169      1.673962
  C       0.039022     -2.353106      2.765534
  C       1.494927     -2.175763      2.335837
  C       2.509912     -2.806687      3.269323
  Cl      2.423624     -4.621373      3.230853
  C      -2.889031     -1.163289      3.081936
  C      -2.857534      0.312507      2.679335
  C      -3.709692      0.557476      1.431958
  C      -3.276651     -0.362712      0.289598
  C      -3.282621     -1.832410      0.722287
  C      -7.326902     -4.359193      3.553404
  C      -7.815141     -5.471546      4.522356
  C      -6.919990     -5.697466      5.738141
  C      -7.181201     -7.006479      6.490096
  C      -8.557624     -7.038641      7.126819
  Cl     -8.805126     -8.545521      8.105239
  C      -7.378971     -3.002992      4.281226
  C      -7.026855     -1.827520      3.368050
  C      -7.977146     -1.754629      2.170300
  C      -8.043484     -3.099985      1.440813
  C      -8.376102     -4.231667      2.413908
  C      -2.540495     -5.254070      6.474730
  C      -3.667353     -5.474560      7.509964
  C      -3.375575     -5.157305      8.976469
  C      -4.599022     -5.401596      9.859614
  C      -4.400873     -5.060022     11.323561
  Cl     -3.159668     -6.123989     12.114199
  C      -1.338996     -6.181047      6.792222
  C      -0.108945     -5.773354      5.981175
  C       0.440547     -4.423775      6.490711
  C      -0.653360     -3.623299      7.214079
  C      -2.008910     -3.789915      6.523462
  H      -0.677810     -2.434556      0.736536
  H      -0.775610     -0.845497      1.456788
  H      -0.145832     -3.407456      3.020285
  H      -0.137040     -1.781897      3.692395
  H       1.642797     -2.584686      1.322522
  H       1.739971     -1.099982      2.273355
  H       2.342183     -2.523680      4.316889
  H       3.539553     -2.558293      2.987399
  H      -3.927419     -1.439724      3.310825
  H      -2.291770     -1.330569      3.993432
  H      -1.822383      0.646129      2.490774
  H      -3.226430      0.924553      3.518300
  H      -3.653576      1.613632      1.123947
  H      -4.767603      0.351997      1.676677
  H      -2.268445     -0.072704     -0.052981
  H      -3.943277     -0.233132     -0.578503
  H      -2.942272     -2.462684     -0.113737
  H      -4.316693     -2.142267      0.957238
  H      -8.842120     -5.218476      4.836975
  H      -7.898861     -6.417187      3.958929
  H      -7.011962     -4.854252      6.444819
  H      -5.868373     -5.702523      5.401919
  H      -6.423123     -7.136225      7.278318
  H      -7.077803     -7.861085      5.801553
  H      -9.363802     -7.029859      6.384280
  H      -8.700871     -6.200669      7.821562
  H      -6.747922     -3.029442      5.175690
  H      -8.411636     -2.875562      4.650624
  H      -7.053234     -0.879881      3.932218
  H      -5.998639     -1.971813      2.993436
  H      -7.662966     -0.955266      1.480083
  H      -8.988863     -1.488498      2.526201
  H      -7.068694     -3.301543      0.965739
  H      -8.793381     -3.059554      0.634814
  H      -8.507012     -5.186124      1.884081
  H      -9.348118     -4.021619      2.893254
  H      -4.528358     -4.870998      7.176537
  H      -3.995978     -6.526827      7.436381
  H      -2.542077     -5.771296      9.350021
  H      -3.062164     -4.104627      9.086101
  H      -4.928523     -6.449763      9.770520
  H      -5.441567     -4.780607      9.502653
  H      -4.039103     -4.032511     11.459313
  H      -5.319988     -5.199542     11.904437
  H      -1.605098     -7.233313      6.634693
  H      -1.103014     -6.098559      7.864762
  H      -0.402368     -5.675859      4.923000
  H       0.669658     -6.549051      6.020833
  H       1.290442     -4.587338      7.171773
  H       0.828593     -3.840908      5.642568
  H      -0.384988     -2.555272      7.245690
  H      -0.728874     -3.948374      8.264028
  H      -2.742117     -3.139147      7.024238
  H      -1.912337     -3.447669      5.478850
  N      -4.479516     -2.616966      5.227368
  H      -5.114171     -1.869129      4.929648
  H      -3.582693     -2.167939      5.422849
  H      -4.824804     -2.954242      6.131128
