112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.187545544640
  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      -4.634466     -1.911759      5.722602
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.221852784998
  N      -2.615774     -3.614116      2.689754
  C      -1.949256     -4.603078      1.844733
  C      -2.287127     -6.021197      2.281598
  N      -3.701328     -6.083376      2.662319
  C      -4.577173     -5.968997      1.496299
  C      -5.969523     -5.542678      1.934004
  N      -5.920046     -4.526394      2.983461
  Mo     -4.076309     -4.405632      3.896965
  N      -3.196848     -5.680116      5.218547
  C      -3.302128     -7.085243      4.849750
  C      -3.997007     -7.251991      3.495671
  H      -3.873061     -7.670182      5.597048
  H      -2.309341     -7.567408      4.784481
  H      -5.082570     -7.290049      3.639243
  H      -3.676673     -8.191735      3.009646
  H      -6.478042     -5.172069      1.026679
  H      -6.540293     -6.436130      2.256880
  H      -4.163973     -5.182247      0.855031
  H      -4.617910     -6.910585      0.920655
  H      -0.849111     -4.513715      1.901428
  H      -2.206138     -4.475485      0.774878
  H      -1.696755     -6.257953      3.171400
  H      -2.045510     -6.750549      1.488499
  C      -2.451890     -2.253869      2.139361
  C      -0.997388     -1.963982      1.689742
  C       0.074978     -2.101178      2.773539
  C       1.466809     -1.834629      2.192110
  C       2.599919     -2.084060      3.174846
  Cl      2.831245     -3.847096      3.478408
  C      -2.892039     -1.208029      3.180014
  C      -2.976423      0.225141      2.654402
  C      -3.960760      0.304883      1.487839
  C      -3.549692     -0.668750      0.384997
  C      -3.407238     -2.096451      0.916075
  C      -7.277448     -4.229013      3.470196
  C      -7.827080     -5.352617      4.422386
  C      -6.959805     -5.644794      5.648509
  C      -7.161409     -7.048450      6.227593
  C      -8.551914     -7.214734      6.819271
  Cl     -8.741865     -8.839412      7.578948
  C      -7.336292     -2.891107      4.240322
  C      -6.967900     -1.706314      3.345039
  C      -7.955413     -1.589425      2.182936
  C      -7.976546     -2.900504      1.394019
  C      -8.309729     -4.073919      2.319829
  C      -2.548523     -5.425679      6.517381
  C      -3.655016     -5.497827      7.607841
  C      -3.291217     -5.054050      9.023851
  C      -4.509092     -5.130220      9.948719
  C      -4.209799     -4.692922     11.374375
  Cl     -3.070359     -5.825739     12.197357
  C      -1.430996     -6.440705      6.864439
  C      -0.190142     -6.200194      6.003913
  C       0.495677     -4.881390      6.409743
  C      -0.497561     -3.932749      7.096298
  C      -1.890831     -4.010787      6.468401
  H      -0.739354     -2.624859      0.850347
  H      -0.962761     -0.941109      1.297875
  H       0.041682     -3.106742      3.213738
  H      -0.111774     -1.382162      3.581568
  H       1.625397     -2.458185      1.301669
  H       1.530142     -0.782822      1.875265
  H       2.399068     -1.627810      4.149585
  H       3.557205     -1.723528      2.786289
  H      -3.891209     -1.515453      3.497625
  H      -2.222654     -1.259982      4.046261
  H      -1.990141      0.589852      2.331748
  H      -3.311621      0.881866      3.469297
  H      -4.000248      1.328118      1.088541
  H      -4.968374      0.043372      1.845987
  H      -2.600744     -0.337353     -0.060247
  H      -4.299884     -0.663119     -0.418956
  H      -3.067068     -2.738861      0.091166
  H      -4.389484     -2.468054      1.244706
  H      -8.830752     -5.047218      4.743651
  H      -7.942900     -6.275058      3.833796
  H      -7.171819     -4.910073      6.436222
  H      -5.902893     -5.527355      5.356609
  H      -6.419772     -7.227581      7.017128
  H      -7.009583     -7.806935      5.447072
  H      -9.332123     -7.142918      6.056189
  H      -8.738240     -6.482140      7.611200
  H      -6.670422     -2.948157      5.105993
  H      -8.364533     -2.760666      4.608076
  H      -6.956274     -0.774891      3.927613
  H      -5.962808     -1.882556      2.940697
  H      -7.674519     -0.756019      1.523634
  H      -8.963747     -1.381776      2.572685
  H      -6.988198     -3.056808      0.938840
  H      -8.716179     -2.847820      0.582452
  H      -8.407809     -5.003537      1.744343
  H      -9.288058     -3.887675      2.783702
  H      -4.497186     -4.891145      7.246572
  H      -4.001218     -6.541821      7.653823
  H      -2.503270     -5.696669      9.435346
  H      -2.912912     -4.022958      9.018367
  H      -4.901259     -6.156503      9.959937
  H      -5.303577     -4.472116      9.566388
  H      -3.729586     -3.709347     11.400081
  H      -5.114301     -4.680989     11.990019
  H      -1.790859     -7.471247      6.765591
  H      -1.156059     -6.312870      7.917533
  H      -0.493247     -6.142541      4.949710
  H       0.510702     -7.040388      6.096515
  H       1.332933     -5.084587      7.091286
  H       0.915089     -4.399372      5.517633
  H      -0.130330     -2.900069      7.022832
  H      -0.560951     -4.171869      8.166461
  H      -2.535570     -3.290809      6.983731
  H      -1.827684     -3.724719      5.411233
  N      -4.455360     -2.852550      5.157321
  H      -4.645177     -2.072206      5.790158
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.244969128465
  N      -2.612417     -3.624051      2.688064
  C      -1.939894     -4.612245      1.825460
  C      -2.268482     -6.034200      2.255499
  N      -3.695046     -6.096392      2.643108
  C      -4.581174     -5.972239      1.469736
  C      -5.966755     -5.543828      1.920961
  N      -5.905692     -4.525286      2.982942
  Mo     -4.066772     -4.396697      3.899633
  N      -3.202175     -5.684616      5.199909
  C      -3.302454     -7.102660      4.837456
  C      -3.997548     -7.274765      3.484303
  H      -3.873654     -7.685989      5.586327
  H      -2.306179     -7.580419      4.781639
  H      -5.086617     -7.310463      3.626691
  H      -3.679987     -8.215348      2.995844
  H      -6.483299     -5.166732      1.020801
  H      -6.539643     -6.435561      2.245642
  H      -4.163802     -5.184647      0.827662
  H      -4.625517     -6.912198      0.890919
  H      -0.839070     -4.518701      1.877354
  H      -2.201526     -4.474490      0.757564
  H      -1.674172     -6.278832      3.144341
  H      -2.030950     -6.761862      1.458722
  C      -2.453026     -2.246376      2.144683
  C      -0.999284     -1.966207      1.691127
  C       0.078525     -2.122181      2.768050
  C       1.472197     -1.863934      2.186157
  C       2.611699     -2.131075      3.156530
  Cl      2.837510     -3.904032      3.448206
  C      -2.877678     -1.202211      3.199027
  C      -2.957122      0.234461      2.674907
  C      -3.952717      0.326769      1.514950
  C      -3.557362     -0.647383      0.403483
  C      -3.417433     -2.080566      0.928275
  C      -7.269281     -4.229134      3.491001
  C      -7.800307     -5.362222      4.435303
  C      -6.929913     -5.675522      5.656915
  C      -7.127578     -7.089707      6.215487
  C      -8.515624     -7.272474      6.806808
  Cl     -8.707130     -8.914085      7.544188
  C      -7.322485     -2.892758      4.269268
  C      -6.969453     -1.696063      3.380366
  C      -7.967318     -1.577862      2.223112
  C      -7.990383     -2.886499      1.423168
  C      -8.309044     -4.069623      2.346422
  C      -2.559112     -5.409647      6.509796
  C      -3.676388     -5.468326      7.586156
  C      -3.319247     -5.012896      9.001221
  C      -4.541885     -5.067755      9.921966
  C      -4.258819     -4.616954     11.346472
  Cl     -3.134002     -5.746671     12.207169
  C      -1.446251     -6.427012      6.862446
  C      -0.197650     -6.193170      6.008164
  C       0.489376     -4.870714      6.419213
  C      -0.507869     -3.916083      7.101418
  C      -1.898100     -3.988606      6.461392
  H      -0.748682     -2.623444      0.841587
  H      -0.960863     -0.937602      1.303326
  H       0.037945     -3.134756      3.202321
  H      -0.099290     -1.407956      3.588258
  H       1.622681     -2.481502      1.285529
  H       1.544707     -0.805782      1.877119
  H       2.423708     -1.680879      4.140248
  H       3.571709     -1.773593      2.764758
  H      -3.878096     -1.500929      3.536811
  H      -2.200720     -1.265144      4.063379
  H      -1.968136      0.596816      2.341179
  H      -3.277464      0.892528      3.499100
  H      -3.990757      1.354898      1.118568
  H      -4.962839      0.070945      1.883375
  H      -2.606989     -0.316777     -0.049851
  H      -4.314227     -0.635490     -0.398556
  H      -3.085311     -2.725640      0.097261
  H      -4.402043     -2.450117      1.261921
  H      -8.806540     -5.059030      4.764280
  H      -7.918537     -6.281651      3.833273
  H      -7.136775     -4.947724      6.458232
  H      -5.872794     -5.558853      5.373246
  H      -6.381208     -7.280899      7.003047
  H      -6.973052     -7.837223      5.419497
  H      -9.301836     -7.189831      6.046539
  H      -8.704556     -6.551204      7.612770
  H      -6.644559     -2.948478      5.132461
  H      -8.352264     -2.773221      4.647892
  H      -6.955840     -0.767957      3.973992
  H      -5.963226     -1.858546      2.967517
  H      -7.697452     -0.733754      1.566447
  H      -8.978079     -1.378804      2.623060
  H      -7.002085     -3.035412      0.954693
  H      -8.738634     -2.832614      0.615355
  H      -8.409715     -4.999847      1.766218
  H      -9.286388     -3.891034      2.823184
  H      -4.512408     -4.857737      7.207320
  H      -4.033693     -6.513501      7.638923
  H      -2.534696     -5.657404      9.427123
  H      -2.930418     -3.980927      8.985881
  H      -4.945335     -6.093620      9.942337
  H      -5.331539     -4.405548      9.523766
  H      -3.772015     -3.632976     11.368547
  H      -5.172370     -4.590488     11.952956
  H      -1.812270     -7.459137      6.766229
  H      -1.178961     -6.296056      7.921383
  H      -0.495595     -6.138624      4.947829
  H       0.502509     -7.037080      6.104626
  H       1.324774     -5.077091      7.107322
  H       0.918540     -4.386894      5.527630
  H      -0.136731     -2.880933      7.032463
  H      -0.579931     -4.154537      8.175273
  H      -2.555779     -3.264847      6.962550
  H      -1.820990     -3.696843      5.406314
  N      -4.448203     -2.979782      5.116176
  H      -4.650603     -2.219019      5.768464
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.255175762270
  N      -2.611563     -3.629325      2.688575
  C      -1.936894     -4.610913      1.812978
  C      -2.254040     -6.034745      2.241169
  N      -3.681394     -6.102599      2.636193
  C      -4.577052     -5.974652      1.467999
  C      -5.956942     -5.549508      1.932924
  N      -5.889461     -4.529721      2.995946
  Mo     -4.052590     -4.376773      3.912263
  N      -3.187402     -5.675860      5.184039
  C      -3.281418     -7.098513      4.831849
  C      -3.981487     -7.279157      3.484482
  H      -3.845761     -7.680270      5.587282
  H      -2.281365     -7.567125      4.779241
  H      -5.070370     -7.313353      3.626913
  H      -3.665484     -8.219904      2.995650
  H      -6.485131     -5.169440      1.040988
  H      -6.527544     -6.440113      2.263188
  H      -4.159037     -5.188714      0.824169
  H      -4.622809     -6.914420      0.889128
  H      -0.836795     -4.508940      1.857420
  H      -2.206702     -4.465495      0.748852
  H      -1.656896     -6.284030      3.127470
  H      -2.020893     -6.761401      1.442392
  C      -2.461969     -2.239576      2.158468
  C      -1.011989     -1.965737      1.694998
  C       0.074415     -2.144707      2.758302
  C       1.466345     -1.892924      2.172691
  C       2.611071     -2.183685      3.127240
  Cl      2.824486     -3.966425      3.396473
  C      -2.866530     -1.208261      3.233460
  C      -2.943576      0.233501      2.721515
  C      -3.950213      0.345364      1.572059
  C      -3.574843     -0.621497      0.446300
  C      -3.437139     -2.061497      0.955738
  C      -7.260949     -4.239277      3.510210
  C      -7.796011     -5.377160      4.438468
  C      -6.954592     -5.701775      5.676711
  C      -7.165923     -7.119565      6.221353
  C      -8.565726     -7.309173      6.777870
  Cl     -8.779291     -8.959400      7.499416
  C      -7.323566     -2.903416      4.286223
  C      -6.972007     -1.701931      3.404603
  C      -7.953897     -1.588298      2.233476
  C      -7.963769     -2.897356      1.433394
  C      -8.284929     -4.082920      2.352254
  C      -2.544959     -5.383152      6.497137
  C      -3.669048     -5.429597      7.562478
  C      -3.322135     -4.972048      8.979025
  C      -4.552639     -5.011143      9.888344
  C      -4.289529     -4.556468     11.313289
  Cl     -3.184065     -5.690370     12.201530
  C      -1.439143     -6.404778      6.851160
  C      -0.187405     -6.180605      5.999918
  C       0.504184     -4.858533      6.408857
  C      -0.489595     -3.896658      7.087525
  C      -1.877867     -3.963497      6.442553
  H      -0.774377     -2.612278      0.833051
  H      -0.970110     -0.932887      1.316290
  H       0.028037     -3.162216      3.181046
  H      -0.090776     -1.442615      3.592597
  H       1.605386     -2.497312      1.260437
  H       1.549553     -0.830924      1.876617
  H       2.438915     -1.746279      4.120103
  H       3.572281     -1.830907      2.733927
  H      -3.862245     -1.501659      3.593315
  H      -2.180813     -1.286992      4.090917
  H      -1.956216      0.593712      2.379105
  H      -3.245973      0.886828      3.556742
  H      -3.987592      1.378077      1.187088
  H      -4.958392      0.094656      1.949358
  H      -2.627097     -0.291202     -0.014555
  H      -4.338202     -0.596991     -0.349676
  H      -3.116654     -2.704146      0.117915
  H      -4.421044     -2.429578      1.294184
  H      -8.810804     -5.077779      4.748313
  H      -7.905179     -6.293818      3.829026
  H      -7.172503     -4.976382      6.478752
  H      -5.889358     -5.589815      5.426089
  H      -6.436818     -7.317732      7.024328
  H      -6.990795     -7.860786      5.422809
  H      -9.336821     -7.220146      6.002451
  H      -8.775631     -6.594559      7.585153
  H      -6.654258     -2.953626      5.155523
  H      -8.358175     -2.794386      4.656502
  H      -6.968387     -0.775626      4.002170
  H      -5.957777     -1.852284      3.006057
  H      -7.682524     -0.740641      1.581392
  H      -8.971373     -1.394314      2.620608
  H      -6.969960     -3.042168      0.973644
  H      -8.702229     -2.847112      0.616155
  H      -8.375793     -5.014435      1.772221
  H      -9.268968     -3.911528      2.820027
  H      -4.495025     -4.813212      7.170152
  H      -4.038498     -6.471236      7.616516
  H      -2.544981     -5.619236      9.416303
  H      -2.922433     -3.943447      8.963063
  H      -4.968869     -6.032923      9.907628
  H      -5.333334     -4.344115      9.477805
  H      -3.795843     -3.575514     11.341000
  H      -5.211040     -4.519238     11.907272
  H      -1.813524     -7.434507      6.760220
  H      -1.175680     -6.272411      7.912007
  H      -0.483571     -6.129976      4.938308
  H       0.509144     -7.027526      6.097868
  H       1.338627     -5.067112      7.097891
  H       0.938662     -4.377951      5.517524
  H      -0.112948     -2.862906      7.018994
  H      -0.565210     -4.130131      8.162736
  H      -2.541692     -3.233542      6.927554
  H      -1.791565     -3.670117      5.387917
  N      -4.441144     -3.093198      5.084471
  H      -4.656471     -2.356606      5.755513
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.258987618733
  N      -2.635084     -3.629864      2.657564
  C      -1.956493     -4.603954      1.778765
  C      -2.252964     -6.029137      2.218502
  N      -3.672772     -6.116023      2.628399
  C      -4.582443     -6.010697      1.473358
  C      -5.962168     -5.604794      1.950088
  N      -5.897041     -4.567106      2.991981
  Mo     -4.059094     -4.362341      3.904830
  N      -3.160788     -5.656371      5.161297
  C      -3.246040     -7.080875      4.829476
  C      -3.954793     -7.281970      3.491942
  H      -3.795524     -7.661247      5.597891
  H      -2.240382     -7.536214      4.772719
  H      -5.042247     -7.321437      3.639198
  H      -3.634896     -8.225969      3.011539
  H      -6.507430     -5.245837      1.060286
  H      -6.515711     -6.498125      2.301429
  H      -4.180708     -5.227747      0.816532
  H      -4.619599     -6.957543      0.904712
  H      -0.857650     -4.487955      1.811323
  H      -2.238979     -4.462870      0.717623
  H      -1.646259     -6.269901      3.099990
  H      -2.019622     -6.757536      1.420995
  C      -2.477587     -2.228223      2.164198
  C      -1.025550     -1.961946      1.702146
  C       0.064277     -2.190970      2.751560
  C       1.457152     -1.941401      2.169589
  C       2.601487     -2.285621      3.105013
  Cl      2.783833     -4.081248      3.310701
  C      -2.858401     -1.226116      3.272900
  C      -2.922475      0.229516      2.802233
  C      -3.928389      0.385786      1.657580
  C      -3.573593     -0.554577      0.502880
  C      -3.454564     -2.009039      0.973243
  C      -7.266561     -4.268156      3.509723
  C      -7.803668     -5.412523      4.421993
  C      -6.974112     -5.733651      5.667701
  C      -7.187096     -7.149756      6.215289
  C      -8.592008     -7.345371      6.754620
  Cl     -8.809437     -8.996864      7.473812
  C      -7.314897     -2.936547      4.291013
  C      -6.963732     -1.727850      3.420160
  C      -7.933814     -1.602945      2.241792
  C      -7.957351     -2.908743      1.438619
  C      -8.286846     -4.096211      2.349807
  C      -2.526866     -5.343706      6.475330
  C      -3.661995     -5.372179      7.528879
  C      -3.322395     -4.924690      8.950358
  C      -4.560590     -4.942463      9.848761
  C      -4.307021     -4.492726     11.275764
  Cl     -3.228185     -5.644044     12.175797
  C      -1.432227     -6.369231      6.850237
  C      -0.166998     -6.159088      6.016797
  C       0.522920     -4.833865      6.415977
  C      -0.474115     -3.859814      7.069425
  C      -1.851292     -3.931111      6.404681
  H      -0.803450     -2.580595      0.816952
  H      -0.968696     -0.919723      1.353478
  H       0.005291     -3.219493      3.142899
  H      -0.087061     -1.518896      3.611975
  H       1.582521     -2.510241      1.233421
  H       1.558825     -0.871935      1.910552
  H       2.444699     -1.881997      4.114024
  H       3.566805     -1.937221      2.719431
  H      -3.850777     -1.515142      3.644380
  H      -2.168209     -1.339378      4.122537
  H      -1.932391      0.588179      2.469540
  H      -3.212369      0.864079      3.655437
  H      -3.956882      1.429113      1.303841
  H      -4.938085      0.138533      2.031055
  H      -2.624483     -0.225726      0.045362
  H      -4.338519     -0.496026     -0.288929
  H      -3.149372     -2.638604      0.121005
  H      -4.442613     -2.369634      1.306066
  H      -8.826093     -5.125310      4.717499
  H      -7.902600     -6.326973      3.808964
  H      -7.190951     -5.004184      6.466021
  H      -5.905103     -5.623437      5.429087
  H      -6.465630     -7.343612      7.025066
  H      -6.997362     -7.891460      5.421439
  H      -9.354936     -7.258848      5.971600
  H      -8.815663     -6.631954      7.558583
  H      -6.646847     -2.995484      5.159026
  H      -8.346583     -2.827118      4.667378
  H      -6.962034     -0.807137      4.025596
  H      -5.944722     -1.867729      3.030374
  H      -7.652975     -0.755542      1.594680
  H      -8.950825     -1.398076      2.622766
  H      -6.966687     -3.061005      0.976429
  H      -8.693555     -2.848235      0.620846
  H      -8.388981     -5.023553      1.767365
  H      -9.269851     -3.920651      2.818053
  H      -4.469895     -4.738215      7.128597
  H      -4.055190     -6.404736      7.574986
  H      -2.558493     -5.582505      9.393708
  H      -2.903320     -3.904359      8.940780
  H      -4.999740     -5.953976      9.861196
  H      -5.326103     -4.262831      9.431640
  H      -3.798837     -3.520039     11.311257
  H      -5.233360     -4.441009     11.860103
  H      -1.812810     -7.396351      6.767260
  H      -1.184629     -6.230109      7.913843
  H      -0.447575     -6.122829      4.951137
  H       0.525102     -7.006641      6.133058
  H       1.349429     -5.034772      7.115836
  H       0.970467     -4.367028      5.524568
  H      -0.092141     -2.828943      6.994898
  H      -0.565445     -4.076977      8.146131
  H      -2.521978     -3.185453      6.854569
  H      -1.744447     -3.654645      5.346658
  N      -4.493397     -3.116167      5.098642
  H      -4.730591     -2.398801      5.782894
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.261734636309
  N      -2.651979     -3.644227      2.628253
  C      -1.987416     -4.611720      1.738295
  C      -2.275529     -6.034524      2.186253
  N      -3.683881     -6.124696      2.615999
  C      -4.610019     -6.021393      1.480275
  C      -5.981157     -5.617785      1.974376
  N      -5.906702     -4.572789      3.001817
  Mo     -4.060510     -4.333052      3.912578
  N      -3.137075     -5.652098      5.134450
  C      -3.230663     -7.072908      4.815638
  C      -3.958561     -7.276807      3.491641
  H      -3.767555     -7.650226      5.596427
  H      -2.224696     -7.526752      4.745842
  H      -5.044195     -7.307090      3.649161
  H      -3.650784     -8.226525      3.014134
  H      -6.541578     -5.266291      1.090966
  H      -6.528422     -6.508749      2.340503
  H      -4.215974     -5.244749      0.812567
  H      -4.654254     -6.971342      0.915467
  H      -0.889486     -4.494065      1.747852
  H      -2.292523     -4.467138      0.683272
  H      -1.656723     -6.277793      3.057872
  H      -2.055077     -6.763701      1.384982
  C      -2.483847     -2.231993      2.169221
  C      -1.026325     -1.964900      1.721739
  C       0.054709     -2.215018      2.773162
  C       1.454160     -1.966989      2.211151
  C       2.584449     -2.343536      3.148969
  Cl      2.739239     -4.146447      3.322480
  C      -2.855442     -1.257090      3.302020
  C      -2.904222      0.208450      2.865743
  C      -3.895411      0.400593      1.715005
  C      -3.545576     -0.516328      0.540471
  C      -3.448380     -1.981626      0.979798
  C      -7.282995     -4.273058      3.513818
  C      -7.808607     -5.427308      4.410754
  C      -6.987750     -5.724172      5.665357
  C      -7.174916     -7.142339      6.216369
  C      -8.580616     -7.372882      6.736606
  Cl     -8.768619     -9.029859      7.452255
  C      -7.364731     -2.941521      4.284811
  C      -7.025660     -1.726531      3.421105
  C      -7.960886     -1.622399      2.215726
  C      -7.955294     -2.932838      1.423726
  C      -8.285954     -4.116208      2.334935
  C      -2.505954     -5.328432      6.450649
  C      -3.644608     -5.344035      7.500127
  C      -3.303959     -4.891545      8.919996
  C      -4.538525     -4.890770      9.821685
  C      -4.282708     -4.426373     11.241879
  Cl     -3.207789     -5.572645     12.154455
  C      -1.417349     -6.355783      6.839809
  C      -0.142828     -6.157784      6.020826
  C       0.543192     -4.829715      6.410757
  C      -0.457610     -3.846646      7.041942
  C      -1.827121     -3.923624      6.364139
  H      -0.802800     -2.563810      0.824019
  H      -0.959337     -0.918057      1.389525
  H      -0.012530     -3.246345      3.149897
  H      -0.101790     -1.561980      3.646429
  H       1.584223     -2.512502      1.262278
  H       1.572498     -0.894762      1.973224
  H       2.425996     -1.959572      4.164877
  H       3.558335     -2.002382      2.780392
  H      -3.847229     -1.541732      3.678465
  H      -2.171385     -1.400449      4.151598
  H      -1.907758      0.565583      2.553383
  H      -3.192804      0.828347      3.729354
  H      -3.914555      1.452212      1.388482
  H      -4.910381      0.155814      2.073945
  H      -2.590456     -0.189589      0.095458
  H      -4.302100     -0.427632     -0.255662
  H      -3.146906     -2.603611      0.121639
  H      -4.444332     -2.333888      1.296264
  H      -8.845477     -5.172332      4.685594
  H      -7.879060     -6.343500      3.798639
  H      -7.217359     -4.992903      6.458062
  H      -5.916855     -5.593723      5.440878
  H      -6.457616     -7.317891      7.032391
  H      -6.953758     -7.879934      5.427531
  H      -9.336229     -7.304225      5.945447
  H      -8.834279     -6.666241      7.537038
  H      -6.718984     -2.985837      5.166250
  H      -8.404629     -2.853697      4.644573
  H      -7.059400     -0.806476      4.026136
  H      -5.990790     -1.833016      3.064251
  H      -7.676617     -0.775332      1.571040
  H      -8.989321     -1.424448      2.567932
  H      -6.956419     -3.079622      0.978547
  H      -8.674865     -2.885607      0.591138
  H      -8.373119     -5.048109      1.759023
  H      -9.278851     -3.950849      2.786189
  H      -4.443379     -4.703140      7.094328
  H      -4.051113     -6.370558      7.546321
  H      -2.541271     -5.546777      9.367933
  H      -2.875454     -3.875442      8.902752
  H      -4.991226     -5.895250      9.844094
  H      -5.301574     -4.211919      9.399395
  H      -3.769919     -3.456408     11.268526
  H      -5.207264     -4.363124     11.826975
  H      -1.803016     -7.380400      6.767175
  H      -1.181079     -6.210421      7.904985
  H      -0.410251     -6.136237      4.951779
  H       0.546282     -7.004807      6.152620
  H       1.363756     -5.022117      7.119309
  H       1.002438     -4.376043      5.520319
  H      -0.071966     -2.817904      6.963322
  H      -0.560363     -4.049385      8.119765
  H      -2.504179     -3.165417      6.782142
  H      -1.707372     -3.660240      5.302156
  N      -4.509259     -3.135874      5.157239
  H      -4.744059     -2.444962      5.869105
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.262738979804
  N      -2.676887     -3.652845      2.599151
  C      -2.003204     -4.605154      1.707333
  C      -2.264785     -6.029247      2.163642
  N      -3.665459     -6.141256      2.601704
  C      -4.603694     -6.053597      1.477058
  C      -5.976708     -5.667376      1.978116
  N      -5.909980     -4.617026      2.998379
  Mo     -4.066837     -4.325696      3.909842
  N      -3.105200     -5.644930      5.113089
  C      -3.183437     -7.064971      4.805762
  C      -3.920322     -7.284281      3.489991
  H      -3.705828     -7.645349      5.594370
  H      -2.171144     -7.506187      4.730403
  H      -5.004250     -7.322223      3.656620
  H      -3.609741     -8.236362      3.018615
  H      -6.545276     -5.328616      1.095568
  H      -6.509455     -6.564109      2.350363
  H      -4.225974     -5.276027      0.801298
  H      -4.639956     -7.005785      0.913905
  H      -0.907683     -4.467813      1.704404
  H      -2.323422     -4.466572      0.655551
  H      -1.635184     -6.260278      3.030766
  H      -2.037453     -6.757177      1.362405
  C      -2.503162     -2.231329      2.170876
  C      -1.043592     -1.959508      1.727884
  C       0.043836     -2.247640      2.761721
  C       1.438751     -1.985269      2.196441
  C       2.577321     -2.419921      3.097484
  Cl      2.719046     -4.231325      3.169379
  C      -2.874942     -1.277794      3.320544
  C      -2.912549      0.196018      2.913407
  C      -3.888649      0.416698      1.755936
  C      -3.537965     -0.480842      0.567793
  C      -3.459586     -1.953905      0.983353
  C      -7.284046     -4.295819      3.515282
  C      -7.826642     -5.438214      4.416213
  C      -7.005482     -5.744179      5.667331
  C      -7.227895     -7.150681      6.235227
  C      -8.637600     -7.341375      6.758873
  Cl     -8.866803     -8.987879      7.485884
  C      -7.326229     -2.966696      4.287341
  C      -6.957317     -1.759220      3.427573
  C      -7.880468     -1.626533      2.216969
  C      -7.926302     -2.937658      1.429293
  C      -8.294157     -4.103809      2.345020
  C      -2.494249     -5.306828      6.436870
  C      -3.638594     -5.344426      7.479654
  C      -3.315074     -4.885157      8.900892
  C      -4.551667     -4.910516      9.797613
  C      -4.313742     -4.433540     11.215968
  Cl     -3.209766     -5.545584     12.136695
  C      -1.392476     -6.317197      6.835314
  C      -0.109733     -6.094217      6.037411
  C       0.544730     -4.754749      6.439192
  C      -0.483023     -3.790837      7.053880
  C      -1.837655     -3.894481      6.352399
  H      -0.828993     -2.531063      0.810022
  H      -0.969430     -0.904499      1.423568
  H      -0.023100     -3.291237      3.105406
  H      -0.103927     -1.626987      3.659686
  H       1.552983     -2.480662      1.218349
  H       1.566412     -0.903942      2.009168
  H       2.437246     -2.091523      4.135359
  H       3.549636     -2.068666      2.734458
  H      -3.869091     -1.561452      3.693404
  H      -2.198106     -1.443305      4.171660
  H      -1.909793      0.554181      2.622187
  H      -3.207421      0.802079      3.784570
  H      -3.899072      1.474763      1.450645
  H      -4.909247      0.173448      2.100203
  H      -2.576453     -0.156239      0.135210
  H      -4.286512     -0.368260     -0.232740
  H      -3.162070     -2.569241      0.119201
  H      -4.462092     -2.298125      1.288895
  H      -8.860533     -5.170853      4.692235
  H      -7.917287     -6.355350      3.809283
  H      -7.202878     -4.996685      6.453608
  H      -5.932951     -5.646081      5.434327
  H      -6.512549     -7.336767      7.050756
  H      -7.024848     -7.901645      5.453911
  H      -9.393112     -7.259088      5.968891
  H      -8.873236     -6.623333      7.554692
  H      -6.680045     -3.029692      5.168342
  H      -8.361771     -2.853461      4.653762
  H      -6.973430     -0.840793      4.035953
  H      -5.919884     -1.882440      3.080772
  H      -7.563130     -0.792581      1.570960
  H      -8.902066     -1.386114      2.563656
  H      -6.936611     -3.124492      0.978065
  H      -8.647287     -2.865405      0.599685
  H      -8.426875     -5.032527      1.773781
  H      -9.275803     -3.900458      2.806079
  H      -4.445474     -4.717014      7.069850
  H      -4.028336     -6.377499      7.519863
  H      -2.537449     -5.519517      9.353261
  H      -2.909081     -3.859520      8.884137
  H      -4.983902     -5.923991      9.821406
  H      -5.330473     -4.252814      9.369814
  H      -3.827969     -3.449757     11.241652
  H      -5.241231     -4.393844     11.798463
  H      -1.760815     -7.347730      6.754639
  H      -1.174675     -6.174610      7.904820
  H      -0.359369     -6.078292      4.963604
  H       0.592859     -6.928468      6.179131
  H       1.358449     -4.931875      7.159829
  H       1.010638     -4.293051      5.556457
  H      -0.114390     -2.755141      6.984678
  H      -0.600541     -3.995925      8.129793
  H      -2.535001     -3.141548      6.745245
  H      -1.701427     -3.636846      5.290145
  N      -4.548359     -3.166633      5.175564
  H      -4.792468     -2.492428      5.900165
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.262975950009
  N      -2.712257     -3.638032      2.570795
  C      -2.028838     -4.582543      1.680909
  C      -2.275131     -6.009107      2.139743
  N      -3.672875     -6.133488      2.582227
  C      -4.620464     -6.052260      1.465376
  C      -5.993411     -5.683088      1.979835
  N      -5.928519     -4.630597      2.996549
  Mo     -4.085003     -4.312242      3.900133
  N      -3.088934     -5.630162      5.086112
  C      -3.170647     -7.050451      4.784879
  C      -3.919124     -7.273579      3.476454
  H      -3.684101     -7.629676      5.580104
  H      -2.158940     -7.492580      4.699614
  H      -5.001456     -7.311261      3.655142
  H      -3.614066     -8.228163      3.005904
  H      -6.575527     -5.353974      1.101987
  H      -6.510795     -6.586671      2.358626
  H      -4.258449     -5.268531      0.787651
  H      -4.652568     -7.002707      0.898769
  H      -0.934962     -4.432052      1.673482
  H      -2.354686     -4.449987      0.630084
  H      -1.638809     -6.232126      3.004150
  H      -2.042017     -6.735160      1.338136
  C      -2.520830     -2.212269      2.162233
  C      -1.045326     -1.945840      1.773588
  C      -0.003191     -2.250873      2.847320
  C       1.417850     -2.011430      2.340848
  C       2.507588     -2.485238      3.282025
  Cl      2.590637     -4.300610      3.347018
  C      -2.926578     -1.263101      3.304066
  C      -2.941731      0.213854      2.905093
  C      -3.870699      0.448569      1.711833
  C      -3.483465     -0.444746      0.532193
  C      -3.434078     -1.920103      0.943400
  C      -7.303631     -4.313665      3.512001
  C      -7.835595     -5.456470      4.419805
  C      -7.017051     -5.739604      5.678614
  C      -7.239676     -7.134614      6.274342
  C      -8.652627     -7.319120      6.791347
  Cl     -8.882626     -8.952595      7.546305
  C      -7.361101     -2.980222      4.276746
  C      -7.006810     -1.772259      3.411744
  C      -7.920305     -1.660314      2.191182
  C      -7.950322     -2.979119      1.414941
  C      -8.313258     -4.139996      2.339114
  C      -2.464711     -5.295211      6.404689
  C      -3.599114     -5.317345      7.459016
  C      -3.258280     -4.865552      8.877897
  C      -4.488079     -4.881932      9.783699
  C      -4.234982     -4.407885     11.200615
  Cl     -3.126756     -5.525332     12.109572
  C      -1.375729     -6.324336      6.793728
  C      -0.090955     -6.118952      5.994390
  C       0.586459     -4.792311      6.401539
  C      -0.426695     -3.813096      7.016388
  C      -1.781591     -3.895545      6.312237
  H      -0.800961     -2.514841      0.861258
  H      -0.950663     -0.889781      1.478912
  H      -0.100142     -3.294437      3.185437
  H      -0.177464     -1.629773      3.740487
  H       1.560543     -2.497153      1.361443
  H       1.577547     -0.930995      2.172976
  H       2.336988     -2.159622      4.316317
  H       3.503520     -2.161505      2.959278
  H      -3.934562     -1.541875      3.642095
  H      -2.279710     -1.437116      4.177001
  H      -1.926030      0.569095      2.657750
  H      -3.269232      0.815839      3.767563
  H      -3.862071      1.508741      1.413122
  H      -4.905615      0.211324      2.015515
  H      -2.503791     -0.126918      0.136822
  H      -4.201258     -0.320374     -0.294602
  H      -3.114077     -2.535956      0.087448
  H      -4.450254     -2.254495      1.213171
  H      -8.875672     -5.204149      4.686998
  H      -7.908160     -6.380767      3.820282
  H      -7.216068     -4.977147      6.450087
  H      -5.944805     -5.644919      5.444524
  H      -6.529480     -7.301238      7.099376
  H      -7.028040     -7.901230      5.510496
  H      -9.402550     -7.253229      5.994368
  H      -8.895848     -6.587420      7.572505
  H      -6.714619     -3.029805      5.159432
  H      -8.397677     -2.876805      4.643282
  H      -7.046730     -0.850890      4.015068
  H      -5.963633     -1.876342      3.076977
  H      -7.602022     -0.830794      1.539429
  H      -8.946766     -1.422176      2.525228
  H      -6.956889     -3.161871      0.970586
  H      -8.667626     -2.919975      0.580845
  H      -8.438152     -5.075605      1.775687
  H      -9.297036     -3.940068      2.796867
  H      -4.400198     -4.676927      7.058257
  H      -4.003915     -6.344778      7.499753
  H      -2.482447     -5.507796      9.322546
  H      -2.843065     -3.843477      8.860038
  H      -4.929144     -5.892066      9.809491
  H      -5.264985     -4.217466      9.362397
  H      -3.744922     -3.426022     11.223073
  H      -5.156992     -4.365741     11.791804
  H      -1.760823     -7.348755      6.706855
  H      -1.152701     -6.193147      7.863725
  H      -0.340746     -6.095611      4.920651
  H       0.597996     -6.965240      6.133041
  H       1.395805     -4.985336      7.123289
  H       1.062670     -4.336665      5.520626
  H      -0.041403     -2.783128      6.950785
  H      -0.549487     -4.019472      8.091628
  H      -2.463981     -3.124463      6.695589
  H      -1.636147     -3.651795      5.248345
  N      -4.571248     -3.171475      5.175458
  H      -4.810323     -2.502959      5.907001
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.263264452922
  N      -2.726240     -3.620762      2.558938
  C      -2.042343     -4.559294      1.665106
  C      -2.272764     -5.987121      2.128885
  N      -3.666412     -6.120927      2.579571
  C      -4.624287     -6.046029      1.470694
  C      -5.996163     -5.688759      1.998835
  N      -5.930823     -4.630332      3.007886
  Mo     -4.086484     -4.296890      3.903375
  N      -3.061956     -5.606382      5.081275
  C      -3.140524     -7.028096      4.782388
  C      -3.900500     -7.258250      3.480576
  H      -3.645983     -7.608569      5.581628
  H      -2.128734     -7.468935      4.689270
  H      -4.980683     -7.298030      3.673225
  H      -3.599807     -8.215507      3.012014
  H      -6.592744     -5.371854      1.125311
  H      -6.499320     -6.597002      2.388107
  H      -4.277897     -5.256827      0.790456
  H      -4.655267     -6.995048      0.901868
  H      -0.949984     -4.399847      1.646792
  H      -2.379244     -4.432390      0.617140
  H      -1.627467     -6.199641      2.989260
  H      -2.036264     -6.712590      1.327622
  C      -2.510877     -2.193097      2.172957
  C      -1.035201     -1.944221      1.772062
  C       0.019551     -2.323143      2.810647
  C       1.434711     -2.087965      2.284036
  C       2.533544     -2.669454      3.152020
  Cl      2.563915     -4.484802      3.057905
  C      -2.890094     -1.253186      3.331600
  C      -2.887460      0.230255      2.955097
  C      -3.821909      0.497745      1.772552
  C      -3.459189     -0.383374      0.576313
  C      -3.432362     -1.864505      0.966920
  C      -7.310125     -4.326221      3.511307
  C      -7.828066     -5.479654      4.415190
  C      -7.015322     -5.748533      5.681519
  C      -7.235868     -7.138688      6.289284
  C      -8.652607     -7.326029      6.795548
  Cl     -8.880022     -8.954247      7.561611
  C      -7.410824     -2.989373      4.269748
  C      -7.082726     -1.774395      3.403006
  C      -7.977469     -1.697711      2.164839
  C      -7.958623     -3.023059      1.397966
  C      -8.306951     -4.186859      2.325198
  C      -2.459702     -5.269503      6.407860
  C      -3.600201     -5.315291      7.455141
  C      -3.279276     -4.859418      8.877037
  C      -4.514370     -4.910378      9.774721
  C      -4.282418     -4.427523     11.192902
  Cl     -3.141831     -5.507173     12.106929
  C      -1.355879     -6.281650      6.803231
  C      -0.063038     -6.039191      6.026605
  C       0.581427     -4.703546      6.459467
  C      -0.462327     -3.749220      7.061274
  C      -1.798346     -3.858207      6.326774
  H      -0.820552     -2.480990      0.833039
  H      -0.918562     -0.879545      1.520403
  H      -0.093165     -3.381347      3.099143
  H      -0.122774     -1.741880      3.735950
  H       1.536238     -2.499687      1.266215
  H       1.624139     -1.002873      2.196123
  H       2.399371     -2.428347      4.214577
  H       3.529953     -2.347494      2.828633
  H      -3.899043     -1.520516      3.675413
  H      -2.234994     -1.448363      4.194361
  H      -1.868328      0.575568      2.708115
  H      -3.203585      0.822341      3.828736
  H      -3.798441      1.562261      1.489864
  H      -4.858252      0.271859      2.081241
  H      -2.477766     -0.076941      0.176505
  H      -4.182685     -0.234329     -0.241636
  H      -3.134464     -2.474467      0.098711
  H      -4.451692     -2.182651      1.244441
  H      -8.876020     -5.250667      4.671873
  H      -7.872077     -6.405660      3.813753
  H      -7.223461     -4.980285      6.444781
  H      -5.943324     -5.651031      5.449063
  H      -6.532565     -7.292185      7.123119
  H      -7.012880     -7.912210      5.535697
  H      -9.395255     -7.270623      5.990936
  H      -8.906026     -6.589304      7.568833
  H      -6.771946     -3.016151      5.159198
  H      -8.452963     -2.911298      4.626167
  H      -7.168833     -0.852246      4.000822
  H      -6.031091     -1.841682      3.087896
  H      -7.665647     -0.866473      1.511489
  H      -9.015650     -1.481546      2.476401
  H      -6.953406     -3.181981      0.972325
  H      -8.663614     -2.988745      0.551857
  H      -8.398664     -5.130846      1.766643
  H      -9.301175     -4.008516      2.768128
  H      -4.410964     -4.689270      7.050999
  H      -3.984705     -6.350884      7.490272
  H      -2.489971     -5.482506      9.325382
  H      -2.891357     -3.826621      8.863931
  H      -4.925978     -5.933237      9.799590
  H      -5.306964     -4.268364      9.347799
  H      -3.824927     -3.430019     11.215934
  H      -5.207981     -4.416022     11.780093
  H      -1.716984     -7.312976      6.695184
  H      -1.152394     -6.161470      7.878429
  H      -0.295264     -6.008805      4.949127
  H       0.641065     -6.872536      6.168855
  H       1.380133     -4.887847      7.195360
  H       1.064973     -4.231126      5.590272
  H      -0.097585     -2.710889      7.010686
  H      -0.603101     -3.966774      8.132192
  H      -2.500883     -3.095950      6.690983
  H      -1.630580     -3.621910      5.265193
  N      -4.561554     -3.158633      5.181034
  H      -4.783855     -2.486901      5.914952
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.263738731482
  N      -2.721559     -3.636503      2.536662
  C      -2.055055     -4.578567      1.630548
  C      -2.280629     -6.006757      2.096338
  N      -3.669449     -6.138033      2.562766
  C      -4.638434     -6.058161      1.463652
  C      -6.004221     -5.696016      2.005876
  N      -5.924011     -4.636569      3.014375
  Mo     -4.070929     -4.318585      3.890129
  N      -3.039818     -5.626177      5.064894
  C      -3.120288     -7.048164      4.759891
  C      -3.894383     -7.276203      3.465424
  H      -3.619297     -7.631619      5.560948
  H      -2.109916     -7.489025      4.656227
  H      -4.972085     -7.314807      3.670871
  H      -3.600310     -8.233569      2.992976
  H      -6.606516     -5.377956      1.137698
  H      -6.506641     -6.602334      2.399977
  H      -4.296435     -5.266834      0.783508
  H      -4.678397     -7.005199      0.892364
  H      -0.963511     -4.424028      1.593134
  H      -2.408929     -4.450973      0.587915
  H      -1.625501     -6.219261      2.949355
  H      -2.054382     -6.732046      1.292177
  C      -2.511608     -2.210218      2.143066
  C      -1.032409     -1.943757      1.767350
  C       0.005781     -2.297802      2.831664
  C       1.429246     -2.051216      2.331828
  C       2.515607     -2.623385      3.221846
  Cl      2.559911     -4.438537      3.132177
  C      -2.921142     -1.264496      3.286429
  C      -2.930288      0.215695      2.896011
  C      -3.848413      0.462720      1.695982
  C      -3.457267     -0.426682      0.514386
  C      -3.418939     -1.903613      0.920103
  C      -7.291690     -4.311197      3.533971
  C      -7.824296     -5.452717      4.446319
  C      -6.999908     -5.748023      5.699116
  C      -7.264400     -7.126548      6.315904
  C      -8.679025     -7.256581      6.846340
  Cl     -8.956340     -8.871233      7.624858
  C      -7.346247     -2.973946      4.296436
  C      -6.999715     -1.766602      3.425320
  C      -7.914471     -1.663250      2.203537
  C      -7.945203     -2.987113      1.434163
  C      -8.306333     -4.143592      2.366625
  C      -2.449716     -5.290639      6.396843
  C      -3.593704     -5.368917      7.437995
  C      -3.292592     -4.904495      8.861930
  C      -4.529560     -4.993522      9.754901
  C      -4.318514     -4.503563     11.174281
  Cl     -3.147810     -5.546109     12.093171
  C      -1.319433     -6.274152      6.792743
  C      -0.027598     -5.987546      6.029084
  C       0.575128     -4.638825      6.481842
  C      -0.502814     -3.718382      7.077672
  C      -1.827697     -3.860955      6.327431
  H      -0.791121     -2.485336      0.837650
  H      -0.926469     -0.879302      1.510294
  H      -0.101248     -3.353131      3.129012
  H      -0.162432     -1.707558      3.746889
  H       1.553663     -2.464057      1.316968
  H       1.611033     -0.964714      2.246756
  H       2.359183     -2.380509      4.281068
  H       3.515593     -2.294721      2.916674
  H      -3.932600     -1.541921      3.614953
  H      -2.276129     -1.442368      4.160412
  H      -1.911585      0.570962      2.662279
  H      -3.268387      0.810673      3.759477
  H      -3.830002      1.524601      1.403137
  H      -4.887444      0.230029      1.990085
  H      -2.473242     -0.112930      0.126550
  H      -4.169903     -0.294756     -0.315963
  H      -3.101035     -2.518181      0.062187
  H      -4.438031     -2.231706      1.187092
  H      -8.860610     -5.194400      4.721475
  H      -7.902779     -6.375690      3.844031
  H      -7.166494     -4.969764      6.462563
  H      -5.929394     -5.692953      5.446480
  H      -6.554915     -7.303607      7.139337
  H      -7.084475     -7.911501      5.562622
  H      -9.431856     -7.176091      6.053425
  H      -8.890472     -6.506845      7.619760
  H      -6.691176     -3.018618      5.173272
  H      -8.379550     -2.869091      4.670954
  H      -7.052165     -0.843594      4.025648
  H      -5.955897     -1.862763      3.091009
  H      -7.590202     -0.840256      1.545822
  H      -8.940426     -1.419008      2.533773
  H      -6.952289     -3.170919      0.989911
  H      -8.665180     -2.932503      0.601883
  H      -8.433633     -5.083107      1.808903
  H      -9.286772     -3.939024      2.828646
  H      -4.420016     -4.765621      7.030149
  H      -3.949087     -6.415064      7.471047
  H      -2.487313     -5.504435      9.313348
  H      -2.936428     -3.860243      8.850990
  H      -4.908175     -6.028806      9.778782
  H      -5.339422     -4.376029      9.324438
  H      -3.893482     -3.491816     11.198214
  H      -5.246482     -4.521726     11.757551
  H      -1.648166     -7.314267      6.672275
  H      -1.127437     -6.157369      7.870472
  H      -0.251305     -5.951840      4.949888
  H       0.698678     -6.801949      6.169640
  H       1.368988     -4.808281      7.226428
  H       1.056069     -4.146255      5.623100
  H      -0.167952     -2.669546      7.037878
  H      -0.649043     -3.947954      8.145271
  H      -2.555339     -3.120153      6.687555
  H      -1.655428     -3.618979      5.267494
  N      -4.525608     -3.173473      5.170662
  H      -4.732359     -2.497232      5.905331
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.263991134505
  N      -2.740692     -3.617572      2.531987
  C      -2.063089     -4.547467      1.621166
  C      -2.268713     -5.980828      2.081012
  N      -3.655844     -6.133832      2.544712
  C      -4.625385     -6.061512      1.446611
  C      -5.995746     -5.721376      1.991020
  N      -5.929022     -4.659432      2.998207
  Mo     -4.083484     -4.325203      3.879354
  N      -3.031344     -5.625128      5.049693
  C      -3.092674     -7.045860      4.735876
  C      -3.866564     -7.277909      3.442879
  H      -3.579310     -7.641812      5.535189
  H      -2.076110     -7.471390      4.625601
  H      -4.943042     -7.329823      3.650758
  H      -3.562378     -8.230159      2.966566
  H      -6.602066     -5.413216      1.122878
  H      -6.483964     -6.634916      2.385319
  H      -4.295418     -5.260183      0.772631
  H      -4.652237     -7.005246      0.869026
  H      -0.973735     -4.379060      1.583053
  H      -2.419490     -4.420069      0.579281
  H      -1.611864     -6.185674      2.934763
  H      -2.030223     -6.699526      1.274538
  C      -2.528226     -2.187896      2.156713
  C      -1.042740     -1.919036      1.809653
  C      -0.027016     -2.315865      2.880300
  C       1.409070     -2.074867      2.414003
  C       2.468458     -2.705587      3.297220
  Cl      2.472468     -4.516434      3.139333
  C      -2.956742     -1.254485      3.303092
  C      -2.961828      0.229853      2.928527
  C      -3.859468      0.489886      1.716080
  C      -3.449097     -0.387819      0.532164
  C      -3.416755     -1.868809      0.923193
  C      -7.298153     -4.328444      3.510931
  C      -7.825112     -5.443934      4.458504
  C      -6.995440     -5.694707      5.717198
  C      -7.270789     -7.041334      6.396634
  C      -8.684106     -7.133450      6.938846
  Cl     -8.971896     -8.707754      7.792318
  C      -7.350946     -2.972680      4.238395
  C      -7.010909     -1.788232      3.333532
  C      -7.930688     -1.717545      2.113331
  C      -7.965356     -3.061098      1.379873
  C      -8.320906     -4.190889      2.345989
  C      -2.435823     -5.295009      6.379023
  C      -3.571358     -5.385383      7.428523
  C      -3.265603     -4.925774      8.852907
  C      -4.496883     -5.032773      9.751986
  C      -4.284230     -4.546790     11.172603
  Cl     -3.094729     -5.577803     12.079958
  C      -1.299300     -6.279460      6.754475
  C      -0.013886     -5.978879      5.985582
  C       0.589678     -4.637369      6.456519
  C      -0.488968     -3.725670      7.065141
  C      -1.815735     -3.864263      6.316350
  H      -0.790590     -2.435619      0.868593
  H      -0.924850     -0.848189      1.586816
  H      -0.154672     -3.377287      3.143700
  H      -0.204387     -1.750348      3.809081
  H       1.543177     -2.447099      1.384800
  H       1.612646     -0.989645      2.378550
  H       2.300580     -2.499453      4.362503
  H       3.480187     -2.388325      3.020076
  H      -3.972578     -1.536315      3.613278
  H      -2.324165     -1.439556      4.184132
  H      -1.939954      0.589132      2.716610
  H      -3.316320      0.813890      3.792834
  H      -3.835072      1.554697      1.434858
  H      -4.903426      0.255377      1.990254
  H      -2.458955     -0.070333      0.163275
  H      -4.148200     -0.247593     -0.308172
  H      -3.085679     -2.474280      0.064202
  H      -4.439501     -2.199825      1.172400
  H      -8.861306     -5.180473      4.729109
  H      -7.901113     -6.385140      3.885667
  H      -7.148411     -4.881650      6.446343
  H      -5.926267     -5.662298      5.454163
  H      -6.559735     -7.186896      7.224912
  H      -7.101936     -7.861943      5.679696
  H      -9.439905     -7.082549      6.146435
  H      -8.884719     -6.347008      7.677935
  H      -6.688747     -2.993216      5.110581
  H      -8.381807     -2.859452      4.617235
  H      -7.064725     -0.850152      3.909711
  H      -5.968097     -1.890539      2.997316
  H      -7.607284     -0.913506      1.432371
  H      -8.954938     -1.463042      2.440711
  H      -6.974676     -3.256997      0.935385
  H      -8.690370     -3.028766      0.550942
  H      -8.453848     -5.144367      1.815354
  H      -9.297814     -3.971853      2.809108
  H      -4.404162     -4.785236      7.029745
  H      -3.920311     -6.433811      7.459201
  H      -2.451787     -5.519931      9.296432
  H      -2.920618     -3.877742      8.845578
  H      -4.863364     -6.072388      9.772865
  H      -5.315479     -4.422099      9.328548
  H      -3.872850     -3.529517     11.198542
  H      -5.208685     -4.580291     11.760682
  H      -1.624667     -7.318840      6.619395
  H      -1.100759     -6.178104      7.832568
  H      -0.245255     -5.925853      4.908453
  H       0.714749     -6.793939      6.108261
  H       1.384157     -4.817540      7.197865
  H       1.069509     -4.134173      5.603976
  H      -0.157245     -2.675521      7.036522
  H      -0.631389     -3.968094      8.130204
  H      -2.543080     -3.126289      6.681122
  H      -1.644864     -3.619052      5.256533
  N      -4.555913     -3.193486      5.168763
  H      -4.765023     -2.522274      5.907540
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264147250085
  N      -2.743614     -3.611427      2.520363
  C      -2.070669     -4.540061      1.604466
  C      -2.266100     -5.973325      2.068457
  N      -3.650358     -6.131505      2.539138
  C      -4.626820     -6.063014      1.447090
  C      -5.994231     -5.727873      2.000723
  N      -5.924051     -4.657962      2.998791
  Mo     -4.077904     -4.321184      3.875026
  N      -3.015531     -5.619291      5.043621
  C      -3.072512     -7.039610      4.727522
  C      -3.854198     -7.273875      3.440587
  H      -3.550455     -7.639253      5.529246
  H      -2.054659     -7.460520      4.609345
  H      -4.929326     -7.325754      3.656182
  H      -3.552703     -8.226941      2.964054
  H      -6.610203     -5.430687      1.135591
  H      -6.473538     -6.641457      2.406735
  H      -4.304987     -5.259701      0.771616
  H      -4.654054     -7.006765      0.869452
  H      -0.982385     -4.367323      1.554679
  H      -2.437764     -4.415661      0.566146
  H      -1.603799     -6.172022      2.919593
  H      -2.027857     -6.692471      1.262276
  C      -2.530096     -2.181945      2.146574
  C      -1.041627     -1.908992      1.813959
  C      -0.035081     -2.313651      2.890029
  C       1.405498     -2.070973      2.437386
  C       2.456347     -2.722332      3.315860
  Cl      2.444896     -4.530929      3.135659
  C      -2.973514     -1.249306      3.288096
  C      -2.982973      0.234915      2.912884
  C      -3.868747      0.490572      1.691033
  C      -3.441654     -0.385852      0.512210
  C      -3.407114     -1.866559      0.903841
  C      -7.292262     -4.328184      3.512966
  C      -7.814679     -5.444461      4.462535
  C      -6.982561     -5.695173      5.719343
  C      -7.281693     -7.024636      6.422002
  C      -8.693857     -7.080493      6.972244
  Cl     -9.006310     -8.633541      7.855539
  C      -7.348858     -2.970207      4.236485
  C      -7.018984     -1.786117      3.327582
  C      -7.942295     -1.723481      2.109754
  C      -7.971629     -3.068791      1.379488
  C      -8.317480     -4.198767      2.349395
  C      -2.425091     -5.294785      6.376376
  C      -3.564471     -5.393029      7.420594
  C      -3.266953     -4.941684      8.849263
  C      -4.501913     -5.061147      9.741823
  C      -4.299133     -4.582621     11.166399
  Cl     -3.105858     -5.610234     12.072632
  C      -1.288841     -6.281203      6.748062
  C      -0.002050     -5.973894      5.985004
  C       0.600830     -4.638580      6.472866
  C      -0.481191     -3.730723      7.081861
  C      -1.804046     -3.863789      6.324439
  H      -0.781176     -2.418669      0.871225
  H      -0.923032     -0.836449      1.600060
  H      -0.167484     -3.376438      3.144069
  H      -0.219910     -1.754875      3.821426
  H       1.544335     -2.425523      1.402543
  H       1.615154     -0.986445      2.422678
  H       2.286392     -2.528277      4.383187
  H       3.471823     -2.410049      3.046723
  H      -3.990508     -1.535669      3.590008
  H      -2.347378     -1.429576      4.174623
  H      -1.960920      0.599881      2.712170
  H      -3.350285      0.816454      3.773571
  H      -3.845576      1.555425      1.409815
  H      -4.914693      0.251862      1.954049
  H      -2.448758     -0.064432      0.153865
  H      -4.132023     -0.248960     -0.335888
  H      -3.064288     -2.470343      0.048507
  H      -4.430849     -2.202475      1.142683
  H      -8.850408     -5.181376      4.735524
  H      -7.890489     -6.385858      3.889565
  H      -7.112544     -4.867256      6.435963
  H      -5.915016     -5.689583      5.448952
  H      -6.569982     -7.169309      7.250170
  H      -7.131867     -7.860841      5.718911
  H      -9.452641     -7.029922      6.182679
  H      -8.876399     -6.277470      7.698192
  H      -6.681821     -2.984177      5.104976
  H      -8.378424     -2.860921      4.620092
  H      -7.078580     -0.847257      3.901978
  H      -5.976344     -1.881694      2.988684
  H      -7.623826     -0.919656      1.426152
  H      -8.966932     -1.472923      2.438869
  H      -6.981148     -3.258895      0.931974
  H      -8.699667     -3.042591      0.553024
  H      -8.446499     -5.154682      1.821712
  H      -9.294365     -3.984047      2.814583
  H      -4.396435     -4.791744      7.021699
  H      -3.912761     -6.441994      7.443564
  H      -2.452102     -5.534792      9.292538
  H      -2.927547     -3.891775      8.850408
  H      -4.862940     -6.102886      9.754417
  H      -5.321652     -4.452058      9.318151
  H      -3.895756     -3.562344     11.200401
  H      -5.225978     -4.626994     11.750005
  H      -1.612573     -7.319580      6.601806
  H      -1.093861     -6.189186      7.827809
  H      -0.231382     -5.908524      4.908007
  H       0.726057     -6.790555      6.099861
  H       1.389638     -4.827625      7.218061
  H       1.087405     -4.129529      5.628205
  H      -0.149418     -2.680306      7.063473
  H      -0.629269     -3.981853      8.144049
  H      -2.533031     -3.126723      6.686968
  H      -1.625939     -3.615534      5.266614
  N      -4.544359     -3.194686      5.167528
  H      -4.740760     -2.522310      5.908807
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264352610738
  N      -2.747946     -3.600464      2.510398
  C      -2.078964     -4.522402      1.583717
  C      -2.254876     -5.957207      2.048816
  N      -3.635299     -6.130456      2.526692
  C      -4.620444     -6.068862      1.441760
  C      -5.985332     -5.745424      2.006841
  N      -5.914810     -4.661567      2.989684
  Mo     -4.072031     -4.325090      3.866472
  N      -2.996998     -5.619270      5.036457
  C      -3.033873     -7.037563      4.707343
  C      -3.824538     -7.274519      3.428270
  H      -3.493295     -7.652033      5.508602
  H      -2.010517     -7.441089      4.574479
  H      -4.897547     -7.332577      3.653285
  H      -3.521122     -8.225236      2.948015
  H      -6.615812     -5.468529      1.145490
  H      -6.448270     -6.659560      2.431318
  H      -4.311694     -5.260431      0.766640
  H      -4.643774     -7.011807      0.862574
  H      -0.992763     -4.339361      1.518258
  H      -2.460843     -4.399591      0.551254
  H      -1.586389     -6.146230      2.897429
  H      -2.012305     -6.673946      1.241801
  C      -2.533467     -2.170219      2.144531
  C      -1.042151     -1.895176      1.824744
  C      -0.042999     -2.325109      2.897702
  C       1.401487     -2.083740      2.455331
  C       2.443936     -2.772444      3.314813
  Cl      2.393154     -4.576888      3.105941
  C      -2.987030     -1.244799      3.287962
  C      -3.000179      0.241643      2.921862
  C      -3.877763      0.502270      1.695555
  C      -3.437874     -0.365532      0.515416
  C      -3.400693     -1.848931      0.896255
  C      -7.282571     -4.333019      3.503520
  C      -7.795970     -5.443093      4.465299
  C      -6.948850     -5.693034      5.710829
  C      -7.299486     -6.976152      6.472684
  C      -8.698283     -6.937921      7.057773
  Cl     -9.061289     -8.433123      8.018317
  C      -7.344271     -2.965799      4.209208
  C      -7.032008     -1.791068      3.282316
  C      -7.965257     -1.750768      2.071521
  C      -7.986873     -3.104329      1.356833
  C      -8.313194     -4.226706      2.342525
  C      -2.417410     -5.300547      6.375557
  C      -3.560365     -5.422905      7.412270
  C      -3.276893     -4.979864      8.846505
  C      -4.512631     -5.131355      9.733367
  C      -4.325514     -4.660984     11.162701
  Cl     -3.112778     -5.669392     12.064513
  C      -1.267587     -6.273167      6.743094
  C       0.012932     -5.939693      5.981762
  C       0.599474     -4.605330      6.489697
  C      -0.496640     -3.716421      7.102143
  C      -1.815302     -3.860572      6.338871
  H      -0.779213     -2.388231      0.873769
  H      -0.920518     -0.819088      1.631531
  H      -0.185782     -3.391291      3.130275
  H      -0.229433     -1.783137      3.838610
  H       1.537389     -2.407727      1.410184
  H       1.624861     -1.002118      2.474948
  H       2.284361     -2.593098      4.386381
  H       3.464080     -2.475710      3.045664
  H      -4.004261     -1.536052      3.582863
  H      -2.364590     -1.426260      4.176765
  H      -1.978406      0.611873      2.730667
  H      -3.375824      0.814987      3.784472
  H      -3.854729      1.568875      1.421282
  H      -4.925172      0.259403      1.948700
  H      -2.442817     -0.038682      0.167669
  H      -4.120934     -0.225770     -0.338079
  H      -3.046392     -2.442593      0.039106
  H      -4.424679     -2.192941      1.123084
  H      -8.826184     -5.171786      4.750863
  H      -7.882957     -6.386660      3.897343
  H      -7.013733     -4.831027      6.394986
  H      -5.889762     -5.754759      5.415983
  H      -6.576179     -7.122540      7.290560
  H      -7.209321     -7.847494      5.802969
  H      -9.474230     -6.885667      6.285329
  H      -8.824055     -6.095967      7.750985
  H      -6.667092     -2.961582      5.069615
  H      -8.370772     -2.859234      4.601506
  H      -7.095934     -0.845902      3.845703
  H      -5.991672     -1.881723      2.935019
  H      -7.658596     -0.951893      1.376837
  H      -8.989389     -1.505710      2.405934
  H      -6.998162     -3.287457      0.902226
  H      -8.722381     -3.095609      0.536814
  H      -8.435823     -5.190601      1.827712
  H      -9.289420     -4.016182      2.811026
  H      -4.398289     -4.829655      7.013741
  H      -3.896184     -6.476163      7.425612
  H      -2.452429     -5.561646      9.287236
  H      -2.958078     -3.923656      8.858789
  H      -4.853601     -6.179859      9.735606
  H      -5.342105     -4.534106      9.311728
  H      -3.945662     -3.632113     11.206910
  H      -5.253306     -4.731423     11.742169
  H      -1.574148     -7.314794      6.586485
  H      -1.075618     -6.186816      7.824026
  H      -0.221650     -5.859686      4.906921
  H       0.752218     -6.748332      6.080360
  H       1.384384     -4.796731      7.238223
  H       1.086739     -4.082690      5.653994
  H      -0.179404     -2.661428      7.094775
  H      -0.644036     -3.979784      8.161284
  H      -2.555994     -3.136214      6.702523
  H      -1.635728     -3.603341      5.283582
  N      -4.532052     -3.210077      5.168601
  H      -4.703445     -2.537039      5.915692
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264431334602
  N      -2.746530     -3.597621      2.510500
  C      -2.080296     -4.516675      1.578302
  C      -2.244557     -5.951572      2.045403
  N      -3.622756     -6.133541      2.526666
  C      -4.610234     -6.077774      1.443011
  C      -5.974797     -5.757671      2.009513
  N      -5.905760     -4.665820      2.983706
  Mo     -4.066441     -4.330468      3.865550
  N      -2.990909     -5.623035      5.042222
  C      -3.013502     -7.039670      4.705738
  C      -3.803998     -7.279122      3.427980
  H      -3.464797     -7.662405      5.505285
  H      -1.985874     -7.431651      4.568891
  H      -4.876272     -7.342863      3.654078
  H      -3.495973     -8.227672      2.946234
  H      -6.610573     -5.491919      1.148519
  H      -6.431021     -6.670572      2.443659
  H      -4.305514     -5.269269      0.766307
  H      -4.630295     -7.021922      0.865715
  H      -0.995809     -4.327536      1.503521
  H      -2.471174     -4.395734      0.549181
  H      -1.573148     -6.134689      2.892865
  H      -1.999270     -6.667777      1.238760
  C      -2.540431     -2.166020      2.143272
  C      -1.052209     -1.882021      1.815340
  C      -0.043103     -2.300773      2.882420
  C       1.396130     -2.056940      2.425274
  C       2.449935     -2.736691      3.277482
  Cl      2.391189     -4.543853      3.096705
  C      -2.993391     -1.244054      3.289470
  C      -3.014910      0.242736      2.925062
  C      -3.899642      0.500866      1.703571
  C      -3.460314     -0.363541      0.521012
  C      -3.413213     -1.847668      0.898310
  C      -7.274304     -4.333982      3.495211
  C      -7.792334     -5.439252      4.459723
  C      -6.938426     -5.704473      5.696065
  C      -7.329672     -6.960068      6.483133
  C      -8.712776     -6.852594      7.096374
  Cl     -9.115189     -8.312584      8.094793
  C      -7.332453     -2.962626      4.192271
  C      -7.016399     -1.795826      3.257121
  C      -7.951340     -1.759093      2.047765
  C      -7.977017     -3.116384      1.340549
  C      -8.303631     -4.232409      2.332686
  C      -2.416697     -5.309675      6.386114
  C      -3.565563     -5.434961      7.415341
  C      -3.284894     -5.003159      8.853876
  C      -4.522233     -5.156363      9.738016
  C      -4.334749     -4.699222     11.171422
  Cl     -3.127250     -5.720504     12.065691
  C      -1.270724     -6.286451      6.754360
  C       0.012094     -5.953033      5.997218
  C       0.602336     -4.625378      6.517552
  C      -0.493404     -3.735799      7.129625
  C      -1.810990     -3.870547      6.362425
  H      -0.791934     -2.375663      0.864095
  H      -0.940584     -0.805681      1.617315
  H      -0.179965     -3.365647      3.122154
  H      -0.224484     -1.754580      3.821867
  H       1.521969     -2.385639      1.380389
  H       1.617265     -0.974778      2.437435
  H       2.308175     -2.541051      4.348618
  H       3.466403     -2.446427      2.988246
  H      -4.007797     -1.540579      3.588758
  H      -2.366089     -1.423306      4.175399
  H      -1.995749      0.617029      2.728109
  H      -3.387259      0.813555      3.790693
  H      -3.882323      1.567766      1.430267
  H      -4.944731      0.253526      1.960897
  H      -2.468165     -0.031295      0.170196
  H      -4.146810     -0.226216     -0.330054
  H      -3.056335     -2.435462      0.038256
  H      -4.434096     -2.200052      1.125875
  H      -8.816364     -5.154874      4.754586
  H      -7.896115     -6.380064      3.890411
  H      -6.954290     -4.829535      6.366512
  H      -5.887055     -5.813448      5.387377
  H      -6.596856     -7.125673      7.288447
  H      -7.290981     -7.844439      5.825940
  H      -9.503059     -6.783495      6.340110
  H      -8.789010     -5.992990      7.774815
  H      -6.653381     -2.954173      5.051058
  H      -8.358203     -2.850279      4.584711
  H      -7.073438     -0.846672      3.814341
  H      -5.977454     -1.894645      2.907896
  H      -7.644603     -0.964105      1.348813
  H      -8.974219     -1.510436      2.383295
  H      -6.989951     -3.303347      0.883796
  H      -8.714444     -3.111417      0.522316
  H      -8.427492     -5.199188      1.823880
  H      -9.279731     -4.018180      2.799920
  H      -4.399377     -4.835781      7.017038
  H      -3.906527     -6.486548      7.420448
  H      -2.463197     -5.590782      9.291851
  H      -2.962713     -3.948166      8.874537
  H      -4.868807     -6.202827      9.730828
  H      -5.348210     -4.551100      9.321053
  H      -3.950898     -3.672343     11.225385
  H      -5.263468     -4.770820     11.749185
  H      -1.579850     -7.326795      6.593729
  H      -1.081993     -6.202932      7.835889
  H      -0.222475     -5.862584      4.923401
  H       0.748704     -6.764997      6.087694
  H       1.380896     -4.826262      7.270119
  H       1.098011     -4.099513      5.689320
  H      -0.172656     -2.681936      7.128587
  H      -0.644677     -4.003983      8.187006
  H      -2.550414     -3.147673      6.731279
  H      -1.629946     -3.603501      5.309874
  N      -4.526258     -3.218918      5.172374
  H      -4.681813     -2.544044      5.921380
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264527329162
  N      -2.756276     -3.597536      2.500639
  C      -2.090029     -4.509571      1.561818
  C      -2.238476     -5.944821      2.029779
  N      -3.611693     -6.141067      2.519232
  C      -4.607020     -6.099195      1.441286
  C      -5.971215     -5.786620      2.013887
  N      -5.905380     -4.684132      2.976668
  Mo     -4.068569     -4.338502      3.856789
  N      -2.980175     -5.620925      5.034687
  C      -2.977848     -7.036602      4.694866
  C      -3.772256     -7.287986      3.422158
  H      -3.413624     -7.668661      5.495710
  H      -1.943737     -7.409507      4.551549
  H      -4.842077     -7.366088      3.653998
  H      -3.454523     -8.232821      2.939266
  H      -6.616121     -5.536506      1.155011
  H      -6.415404     -6.699167      2.460886
  H      -4.313255     -5.292057      0.758116
  H      -4.621673     -7.046561      0.869247
  H      -1.008019     -4.311688      1.478806
  H      -2.490135     -4.389826      0.535997
  H      -1.561125     -6.120344      2.873947
  H      -1.989897     -6.659535      1.222778
  C      -2.546255     -2.162919      2.149314
  C      -1.056419     -1.883916      1.823705
  C      -0.049103     -2.324630      2.884679
  C       1.390951     -2.097176      2.423728
  C       2.439497     -2.797943      3.264976
  Cl      2.348054     -4.603457      3.080200
  C      -2.990840     -1.254030      3.308579
  C      -3.003832      0.237495      2.964163
  C      -3.890892      0.516387      1.748864
  C      -3.459432     -0.334166      0.553575
  C      -3.418468     -1.823732      0.909684
  C      -7.273569     -4.345072      3.487718
  C      -7.798040     -5.441654      4.458324
  C      -6.940582     -5.714268      5.689889
  C      -7.366205     -6.940472      6.504784
  C      -8.729965     -6.766714      7.145536
  Cl     -9.164461     -8.188495      8.184913
  C      -7.324439     -2.968237      4.174202
  C      -7.001438     -1.811296      3.229085
  C      -7.936613     -1.778366      2.019861
  C      -7.970587     -3.141125      1.323375
  C      -8.302193     -4.247003      2.324311
  C      -2.413776     -5.299903      6.379520
  C      -3.561401     -5.449384      7.406466
  C      -3.289630     -5.020204      8.847415
  C      -4.524263     -5.199983      9.729858
  C      -4.344274     -4.751092     11.166700
  Cl     -3.119747     -5.759152     12.052868
  C      -1.248662     -6.254102      6.745875
  C       0.024903     -5.888924      5.986178
  C       0.589493     -4.551606      6.510558
  C      -0.522965     -3.685611      7.125141
  C      -1.837682     -3.848398      6.360289
  H      -0.801570     -2.366969      0.865818
  H      -0.937756     -0.806030      1.638562
  H      -0.197815     -3.390250      3.117246
  H      -0.221080     -1.784561      3.829439
  H       1.507305     -2.418173      1.375333
  H       1.627857     -1.018468      2.444341
  H       2.311472     -2.602202      4.337736
  H       3.458186     -2.525062      2.966924
  H      -4.006479     -1.548350      3.606414
  H      -2.362836     -1.449775      4.190769
  H      -1.982876      0.607440      2.768143
  H      -3.368519      0.799768      3.838501
  H      -3.868743      1.586653      1.489528
  H      -4.936575      0.271379      2.005998
  H      -2.466556     -0.002328      0.204912
  H      -4.146931     -0.181767     -0.294080
  H      -3.063714     -2.399850      0.040641
  H      -4.440528     -2.175706      1.131182
  H      -8.817330     -5.145522      4.757828
  H      -7.916047     -6.382484      3.892078
  H      -6.915211     -4.827515      6.344374
  H      -5.896780     -5.864537      5.372473
  H      -6.623542     -7.122962      7.297389
  H      -7.377005     -7.836041      5.862217
  H      -9.534651     -6.683249      6.406219
  H      -8.757525     -5.890581      7.806135
  H      -6.643818     -2.955987      5.032059
  H      -8.349115     -2.846884      4.566386
  H      -7.049613     -0.857071      3.778348
  H      -5.963613     -1.920520      2.879515
  H      -7.626851     -0.989903      1.314994
  H      -8.957844     -1.521940      2.354590
  H      -6.985930     -3.337333      0.865533
  H      -8.709446     -3.139126      0.506395
  H      -8.431149     -5.217348      1.823868
  H      -9.277210     -4.024360      2.789991
  H      -4.404744     -4.862874      7.009452
  H      -3.884548     -6.506500      7.406447
  H      -2.457650     -5.595177      9.282414
  H      -2.986151     -3.959878      8.874395
  H      -4.854813     -6.251562      9.714196
  H      -5.359870     -4.604639      9.317903
  H      -3.977694     -3.718455     11.229427
  H      -5.271543     -4.842709     11.743918
  H      -1.535930     -7.300795      6.585304
  H      -1.061112     -6.167263      7.827006
  H      -0.217547     -5.796823      4.914374
  H       0.779373     -6.685352      6.067085
  H       1.370370     -4.740280      7.263871
  H       1.076714     -4.012394      5.684544
  H      -0.224784     -2.625245      7.123660
  H      -0.666387     -3.956328      8.183042
  H      -2.591590     -3.142930      6.734119
  H      -1.665391     -3.571757      5.308672
  N      -4.528822     -3.231178      5.167631
  H      -4.666580     -2.553671      5.917859
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264600506963
  N      -2.759460     -3.595712      2.504192
  C      -2.091003     -4.502071      1.561776
  C      -2.231739     -5.939265      2.025316
  N      -3.602804     -6.144509      2.517234
  C      -4.600895     -6.108777      1.441424
  C      -5.965464     -5.802651      2.017340
  N      -5.902935     -4.696967      2.976418
  Mo     -4.068347     -4.346211      3.858403
  N      -2.974739     -5.627411      5.033714
  C      -2.960335     -7.041673      4.689218
  C      -3.753156     -7.295740      3.416193
  H      -3.391113     -7.679468      5.488053
  H      -1.923242     -7.405499      4.544547
  H      -4.822130     -7.384077      3.648145
  H      -3.427985     -8.236178      2.929741
  H      -6.614495     -5.559039      1.159784
  H      -6.403005     -6.716363      2.468480
  H      -4.312562     -5.301711      0.755701
  H      -4.611586     -7.057199      0.871236
  H      -1.010432     -4.298629      1.476848
  H      -2.494672     -4.381094      0.537156
  H      -1.551456     -6.114211      2.867275
  H      -1.980982     -6.650639      1.215997
  C      -2.554715     -2.158892      2.154738
  C      -1.066558     -1.875446      1.824998
  C      -0.055371     -2.309814      2.884562
  C       1.382755     -2.086346      2.416450
  C       2.436213     -2.775379      3.261328
  Cl      2.350316     -4.583084      3.095795
  C      -2.997571     -1.250596      3.314808
  C      -3.010507      0.240879      2.969614
  C      -3.901088      0.519039      1.756587
  C      -3.473060     -0.331856      0.560268
  C      -3.429382     -1.821458      0.916693
  C      -7.272248     -4.350631      3.482033
  C      -7.805211     -5.438521      4.457007
  C      -6.951704     -5.709435      5.691690
  C      -7.399579     -6.916261      6.523630
  C      -8.751135     -6.699849      7.176911
  Cl     -9.209026     -8.096171      8.240356
  C      -7.320610     -2.970332      4.161637
  C      -6.987674     -1.820089      3.211927
  C      -7.916050     -1.789294      1.997304
  C      -7.953000     -3.155911      1.308428
  C      -8.295721     -4.253802      2.313788
  C      -2.408720     -5.307195      6.379515
  C      -3.557448     -5.459000      7.405194
  C      -3.286862     -5.037768      8.848594
  C      -4.523348     -5.219409      9.727826
  C      -4.343341     -4.782442     11.168361
  Cl     -3.123831     -5.802283     12.048100
  C      -1.241899     -6.259651      6.746485
  C       0.030278     -5.893684      5.984399
  C       0.594380     -4.556396      6.508419
  C      -0.518191     -3.691755      7.124853
  C      -1.834606     -3.855201      6.363411
  H      -0.812422     -2.359863      0.867778
  H      -0.951859     -0.797837      1.636229
  H      -0.202911     -3.373907      3.125267
  H      -0.223496     -1.763433      3.826343
  H       1.496199     -2.418152      1.371076
  H       1.618042     -1.007060      2.424559
  H       2.312913     -2.567966      4.332392
  H       3.452698     -2.503451      2.955032
  H      -4.012792     -1.545050      3.613707
  H      -2.368577     -1.446939      4.196109
  H      -1.989823      0.609756      2.769900
  H      -3.371628      0.804745      3.844343
  H      -3.880296      1.589123      1.496346
  H      -4.945702      0.274006      2.017049
  H      -2.481710      0.000633      0.208193
  H      -4.163455     -0.180410     -0.285169
  H      -3.074761     -2.397333      0.047096
  H      -4.450582     -2.175051      1.138550
  H      -8.823203     -5.134655      4.752938
  H      -7.928922     -6.381803      3.896131
  H      -6.909415     -4.815098      6.334701
  H      -5.910299     -5.881816      5.376489
  H      -6.653419     -7.109950      7.310237
  H      -7.440398     -7.817590      5.890486
  H      -9.562232     -6.605877      6.445896
  H      -8.748563     -5.814486      7.825698
  H      -6.643998     -2.956345      5.023019
  H      -8.346647     -2.842520      4.547881
  H      -7.032086     -0.862376      3.755402
  H      -5.948996     -1.937309      2.868535
  H      -7.599613     -1.005927      1.289790
  H      -8.937913     -1.526609      2.325252
  H      -6.967424     -3.360708      0.856652
  H      -8.687672     -3.154974      0.487563
  H      -8.427118     -5.226353      1.818450
  H      -9.271929     -4.023789      2.773375
  H      -4.398975     -4.868976      7.009852
  H      -3.882168     -6.515591      7.399635
  H      -2.456845     -5.616930      9.281608
  H      -2.980879     -3.978353      8.882079
  H      -4.858202     -6.269467      9.703552
  H      -5.356360     -4.617938      9.319550
  H      -3.972738     -3.751846     11.240127
  H      -5.271600     -4.874844     11.743865
  H      -1.528475     -7.306997      6.590527
  H      -1.052822     -6.168914      7.826937
  H      -0.215231     -5.801018      4.913329
  H       0.785713     -6.689440      6.062588
  H       1.375430     -4.745006      7.261652
  H       1.081361     -4.015646      5.683281
  H      -0.221021     -2.631127      7.122247
  H      -0.659411     -3.961709      8.183303
  H      -2.587696     -3.152395      6.744465
  H      -1.667631     -3.572611      5.312537
  N      -4.532647     -3.245694      5.174049
  H      -4.660646     -2.568284      5.926197
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264685645103
  N      -2.764560     -3.589727      2.504188
  C      -2.094570     -4.490774      1.557704
  C      -2.224063     -5.929554      2.018848
  N      -3.592168     -6.145804      2.514897
  C      -4.593692     -6.120700      1.441295
  C      -5.958316     -5.823063      2.021492
  N      -5.901137     -4.709431      2.971151
  Mo     -4.070625     -4.350227      3.855843
  N      -2.969627     -5.625989      5.032256
  C      -2.938607     -7.039271      4.684851
  C      -3.728953     -7.300709      3.411727
  H      -3.362642     -7.682638      5.482603
  H      -1.897455     -7.391240      4.539744
  H      -4.796885     -7.402550      3.644262
  H      -3.393564     -8.236424      2.923057
  H      -6.614238     -5.593558      1.165511
  H      -6.384437     -6.737435      2.482516
  H      -4.313209     -5.314818      0.750535
  H      -4.598838     -7.071873      0.875689
  H      -1.015794     -4.280774      1.468339
  H      -2.504304     -4.370469      0.535058
  H      -1.539044     -6.101427      2.857964
  H      -1.970501     -6.638207      1.207924
  C      -2.560213     -2.150103      2.160630
  C      -1.071984     -1.864506      1.831509
  C      -0.060812     -2.306289      2.887679
  C       1.377673     -2.096017      2.414569
  C       2.429800     -2.787370      3.259377
  Cl      2.333216     -4.595502      3.102811
  C      -3.002635     -1.245492      3.323757
  C      -3.014348      0.247194      2.982807
  C      -3.905909      0.529207      1.771126
  C      -3.479245     -0.318014      0.571479
  C      -3.433988     -1.809069      0.922996
  C      -7.272650     -4.361898      3.471706
  C      -7.809218     -5.446985      4.447537
  C      -6.951313     -5.732647      5.675839
  C      -7.437726     -6.908752      6.530479
  C      -8.758297     -6.615885      7.216519
  Cl     -9.257211     -7.973684      8.310915
  C      -7.324437     -2.980098      4.148854
  C      -6.989941     -1.831420      3.197695
  C      -7.911978     -1.804452      1.977968
  C      -7.943899     -3.173084      1.292585
  C      -8.292346     -4.267499      2.299509
  C      -2.405440     -5.304919      6.379473
  C      -3.554614     -5.461816      7.404365
  C      -3.284742     -5.049776      8.850642
  C      -4.522471     -5.234996      9.727513
  C      -4.341757     -4.812377     11.172420
  Cl     -3.126152     -5.844656     12.043456
  C      -1.234995     -6.253850      6.745617
  C       0.033566     -5.885248      5.978227
  C       0.597136     -4.548593      6.502914
  C      -0.515707     -3.686346      7.123478
  C      -1.835514     -3.851233      6.367849
  H      -0.818519     -2.343184      0.871131
  H      -0.956476     -0.785999      1.648599
  H      -0.216202     -3.368925      3.130488
  H      -0.220994     -1.757223      3.829451
  H       1.486213     -2.433589      1.370361
  H       1.620412     -1.018056      2.416631
  H       2.312896     -2.573135      4.329919
  H       3.446525     -2.523728      2.946215
  H      -4.018245     -1.540569      3.620725
  H      -2.374182     -1.445633      4.204615
  H      -1.993277      0.615501      2.782943
  H      -3.373891      0.809854      3.859105
  H      -3.885514      1.600152      1.513660
  H      -4.950309      0.283594      2.032158
  H      -2.488582      0.016214      0.218671
  H      -4.171319     -0.164412     -0.272357
  H      -3.077551     -2.381738      0.051691
  H      -4.455227     -2.164810      1.141018
  H      -8.821887     -5.132757      4.751214
  H      -7.947774     -6.387830      3.885584
  H      -6.866170     -4.832206      6.305761
  H      -5.920654     -5.948824      5.351969
  H      -6.682347     -7.134398      7.299448
  H      -7.542201     -7.812096      5.907226
  H      -9.583674     -6.489423      6.506469
  H      -8.692386     -5.723669      7.852782
  H      -6.650030     -2.962706      5.012551
  H      -8.352061     -2.852721      4.531275
  H      -7.036062     -0.872053      3.738373
  H      -5.950049     -1.949198      2.859273
  H      -7.593074     -1.022253      1.270041
  H      -8.936155     -1.542290      2.299693
  H      -6.955753     -3.380204      0.847256
  H      -8.674031     -3.174766      0.467351
  H      -8.422054     -5.241713      1.806710
  H      -9.270584     -4.035974      2.754213
  H      -4.395266     -4.868617      7.011871
  H      -3.879624     -6.518526      7.391951
  H      -2.455898     -5.633067      9.280737
  H      -2.977285     -3.990782      8.891531
  H      -4.861273     -6.283576      9.693408
  H      -5.353539     -4.627037      9.324422
  H      -3.967796     -3.783642     11.254792
  H      -5.270743     -4.907126     11.746645
  H      -1.519436     -7.302574      6.595311
  H      -1.042510     -6.158069      7.825206
  H      -0.218008     -5.790126      4.908520
  H       0.790858     -6.679919      6.050385
  H       1.379412     -4.737829      7.255079
  H       1.082589     -4.005223      5.678750
  H      -0.220747     -2.624924      7.119547
  H      -0.652651     -3.955998      8.182774
  H      -2.587384     -3.152888      6.760222
  H      -1.677177     -3.560453      5.318019
  N      -4.539414     -3.254823      5.174591
  H      -4.647437     -2.573485      5.926845
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264741540233
  N      -2.770315     -3.584657      2.501567
  C      -2.102532     -4.476526      1.544564
  C      -2.213247     -5.918522      2.001174
  N      -3.575492     -6.151634      2.506883
  C      -4.584832     -6.141443      1.439405
  C      -5.947718     -5.856203      2.029851
  N      -5.894738     -4.730177      2.963975
  Mo     -4.069776     -4.360998      3.850551
  N      -2.956095     -5.630353      5.025123
  C      -2.903353     -7.041792      4.672699
  C      -3.691039     -7.312088      3.400005
  H      -3.318070     -7.693175      5.468709
  H      -1.857143     -7.378083      4.526691
  H      -4.756692     -7.433716      3.634789
  H      -3.341596     -8.240221      2.906796
  H      -6.615450     -5.647496      1.177763
  H      -6.356537     -6.770531      2.506940
  H      -4.317894     -5.336677      0.741691
  H      -4.583789     -7.096012      0.879473
  H      -1.026799     -4.256845      1.443447
  H      -2.525785     -4.356538      0.527274
  H      -1.518675     -6.086675      2.833612
  H      -1.958112     -6.621716      1.185935
  C      -2.570429     -2.140794      2.169722
  C      -1.083118     -1.844377      1.844070
  C      -0.070328     -2.294419      2.894990
  C       1.367869     -2.093215      2.416359
  C       2.420156     -2.787982      3.258234
  Cl      2.314037     -4.596083      3.105453
  C      -3.019074     -1.247912      3.339745
  C      -3.039820      0.247335      3.010371
  C      -3.932034      0.533074      1.799810
  C      -3.499700     -0.302008      0.593332
  C      -3.444207     -1.795570      0.933352
  C      -7.267057     -4.373801      3.453988
  C      -7.807000     -5.442934      4.444915
  C      -6.938178     -5.732930      5.664748
  C      -7.478060     -6.840218      6.578188
  C      -8.739910     -6.418167      7.306762
  Cl     -9.296307     -7.691667      8.472343
  C      -7.320536     -2.981775      4.111355
  C      -6.983858     -1.846396      3.144671
  C      -7.898174     -1.838376      1.918796
  C      -7.925504     -3.217537      1.254317
  C      -8.282199     -4.295402      2.276446
  C      -2.399303     -5.311914      6.376451
  C      -3.550250     -5.489070      7.396185
  C      -3.288649     -5.096072      8.849142
  C      -4.529981     -5.301133      9.716714
  C      -4.358246     -4.903818     11.170023
  Cl     -3.142509     -5.946429     12.028970
  C      -1.219681     -6.251477      6.738054
  C       0.043695     -5.867320      5.969510
  C       0.597565     -4.531419      6.504572
  C      -0.522080     -3.681714      7.131824
  C      -1.843574     -3.852344      6.379378
  H      -0.827166     -2.310381      0.877874
  H      -0.971855     -0.763475      1.673569
  H      -0.231966     -3.356140      3.137351
  H      -0.222228     -1.744945      3.838138
  H       1.471412     -2.433723      1.372471
  H       1.616236     -1.016244      2.414908
  H       2.309766     -2.570599      4.328929
  H       3.436523     -2.530364      2.938493
  H      -4.033392     -1.551861      3.632604
  H      -2.390022     -1.451326      4.219517
  H      -2.020756      0.623587      2.814558
  H      -3.403961      0.801665      3.890237
  H      -3.918301      1.606159      1.550305
  H      -4.975314      0.279068      2.058673
  H      -2.511495      0.041954      0.242299
  H      -4.193753     -0.146815     -0.248736
  H      -3.082122     -2.359400      0.058561
  H      -4.463705     -2.160212      1.145274
  H      -8.809998     -5.108352      4.759194
  H      -7.969172     -6.387289      3.894637
  H      -6.782366     -4.815580      6.255085
  H      -5.930639     -6.024728      5.328383
  H      -6.711052     -7.101934      7.323854
  H      -7.681745     -7.751537      5.991766
  H      -9.583546     -6.249934      6.627356
  H      -8.574617     -5.512260      7.904704
  H      -6.647836     -2.950425      4.976526
  H      -8.349567     -2.849485      4.488546
  H      -7.032962     -0.878862      3.670574
  H      -5.942058     -1.968239      2.813397
  H      -7.574588     -1.066905      1.201006
  H      -8.924850     -1.571645      2.229114
  H      -6.933974     -3.433829      0.820767
  H      -8.649372     -3.231427      0.423474
  H      -8.411113     -5.277445      1.798598
  H      -9.262261     -4.055493      2.722877
  H      -4.392662     -4.894886      7.008589
  H      -3.868540     -6.547812      7.367676
  H      -2.458575     -5.681221      9.274821
  H      -2.987543     -4.035785      8.907304
  H      -4.864496     -6.350391      9.662585
  H      -5.361840     -4.689726      9.320083
  H      -3.989343     -3.874995     11.273301
  H      -5.289776     -5.012971     11.737768
  H      -1.494483     -7.302727      6.586646
  H      -1.026066     -6.155554      7.817682
  H      -0.212868     -5.763924      4.901597
  H       0.807546     -6.656624      6.031479
  H       1.380827     -4.721070      7.255921
  H       1.079541     -3.977865      5.685532
  H      -0.236205     -2.617589      7.132529
  H      -0.654768     -3.957513      8.190205
  H      -2.598706     -3.166107      6.787244
  H      -1.695108     -3.546189      5.332821
  N      -4.542305     -3.275386      5.175710
  H      -4.618592     -2.589596      5.928486
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264783991805
  N      -2.762764     -3.584521      2.504706
  C      -2.095894     -4.482756      1.553254
  C      -2.219596     -5.923830      2.010714
  N      -3.585459     -6.145008      2.511466
  C      -4.590199     -6.126017      1.439940
  C      -5.953396     -5.832839      2.025265
  N      -5.897405     -4.714092      2.967867
  Mo     -4.069857     -4.351095      3.853406
  N      -2.965295     -5.625715      5.027787
  C      -2.929473     -7.039257      4.681016
  C      -3.714263     -7.303936      3.404913
  H      -3.356135     -7.682568      5.477434
  H      -1.887140     -7.389404      4.541498
  H      -4.781778     -7.416963      3.635340
  H      -3.369928     -8.234906      2.913666
  H      -6.614855     -5.612518      1.171150
  H      -6.371771     -6.747252      2.493610
  H      -4.314811     -5.322058      0.744737
  H      -4.594089     -7.079720      0.878381
  H      -1.017731     -4.270697      1.458193
  H      -2.512162     -4.362195      0.533380
  H      -1.529110     -6.098137      2.845257
  H      -1.968170     -6.629016      1.196103
  C      -2.559398     -2.143935      2.161512
  C      -1.071947     -1.854566      1.832368
  C      -0.059306     -2.296096      2.887072
  C       1.379198     -2.094733      2.408736
  C       2.431068     -2.778276      3.260330
  Cl      2.335714     -4.587671      3.116285
  C      -3.005808     -1.240102      3.324381
  C      -3.023790      0.252321      2.982280
  C      -3.914240      0.530432      1.768764
  C      -3.483561     -0.315967      0.569618
  C      -3.433415     -1.806544      0.922963
  C      -7.269334     -4.368031      3.463781
  C      -7.799258     -5.451127      4.444971
  C      -6.926778     -5.742545      5.662426
  C      -7.440367     -6.882752      6.550506
  C      -8.717737     -6.510605      7.279492
  Cl     -9.250704     -7.825815      8.409012
  C      -7.328184     -2.984127      4.137716
  C      -7.000654     -1.835054      3.184659
  C      -7.917870     -1.817693      1.961172
  C      -7.939310     -3.188932      1.280495
  C      -8.288477     -4.281228      2.290502
  C      -2.408073     -5.308034      6.378996
  C      -3.560254     -5.477451      7.398615
  C      -3.297351     -5.078272      8.849713
  C      -4.540008     -5.273345      9.717883
  C      -4.368255     -4.866667     11.168532
  Cl     -3.157760     -5.908317     12.035862
  C      -1.234680     -6.253649      6.743670
  C       0.033336     -5.879931      5.978219
  C       0.592499     -4.543877      6.508204
  C      -0.523211     -3.686764      7.132338
  C      -1.844873     -3.851358      6.378150
  H      -0.816874     -2.330109      0.870442
  H      -0.958425     -0.775364      1.652495
  H      -0.219911     -3.356164      3.136354
  H      -0.211952     -1.739681      3.826034
  H       1.486159     -2.446254      1.368923
  H       1.623469     -1.016994      2.396123
  H       2.311965     -2.556798      4.329222
  H       3.447889     -2.515863      2.946121
  H      -4.020488     -1.539560      3.620380
  H      -2.376477     -1.436733      4.205456
  H      -2.003904      0.625313      2.784858
  H      -3.388539      0.814298      3.857043
  H      -3.897466      1.601380      1.510649
  H      -4.958268      0.281250      2.028808
  H      -2.494137      0.022039      0.216164
  H      -4.177100     -0.165635     -0.273727
  H      -3.075204     -2.380355      0.053366
  H      -4.454092     -2.164708      1.140620
  H      -8.805177     -5.128824      4.762741
  H      -7.952015     -6.392334      3.886691
  H      -6.799896     -4.833323      6.271941
  H      -5.911202     -6.001141      5.323955
  H      -6.670955     -7.138357      7.295614
  H      -7.615307     -7.787236      5.944535
  H      -9.560037     -6.346683      6.597410
  H      -8.579711     -5.615879      7.900629
  H      -6.654528     -2.960123      5.002000
  H      -8.357178     -2.862293      4.518692
  H      -7.056431     -0.874646      3.722726
  H      -5.958504     -1.945449      2.850161
  H      -7.599231     -1.036593      1.251622
  H      -8.945226     -1.559665      2.276339
  H      -6.946622     -3.394916      0.844577
  H      -8.663610     -3.196288      0.450127
  H      -8.414029     -5.257865      1.800830
  H      -9.268211     -4.051450      2.742756
  H      -4.400936     -4.882427      7.008328
  H      -3.881552     -6.535288      7.374467
  H      -2.470405     -5.665143      9.279118
  H      -2.991526     -4.019081      8.902207
  H      -4.877166     -6.322009      9.670864
  H      -5.369525     -4.662280      9.316000
  H      -3.995161     -3.838687     11.264689
  H      -5.300816     -4.968118     11.735924
  H      -1.515547     -7.303432      6.592455
  H      -1.042566     -6.158093      7.823673
  H      -0.216720     -5.781331      4.908410
  H       0.792121     -6.673318      6.049212
  H       1.376250     -4.733016      7.259038
  H       1.075113     -3.995935      5.685994
  H      -0.231247     -2.624308      7.131437
  H      -0.659292     -3.960224      8.190812
  H      -2.597013     -3.159642      6.781857
  H      -1.692227     -3.550582      5.330673
  N      -4.540596     -3.259681      5.174466
  H      -4.625795     -2.571478      5.923966
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264812818680
  N      -2.762363     -3.586651      2.505275
  C      -2.095255     -4.485107      1.554269
  C      -2.218866     -5.925859      2.012598
  N      -3.584815     -6.146782      2.512597
  C      -4.588914     -6.127485      1.440502
  C      -5.952683     -5.833065      2.024080
  N      -5.896894     -4.715627      2.968586
  Mo     -4.069734     -4.352329      3.853966
  N      -2.964641     -5.626034      5.028521
  C      -2.929193     -7.039783      4.682557
  C      -3.713701     -7.305013      3.406416
  H      -3.355629     -7.682853      5.479423
  H      -1.886797     -7.389823      4.543327
  H      -4.781067     -7.418455      3.636194
  H      -3.368440     -8.235752      2.915457
  H      -6.612433     -5.610621      1.169182
  H      -6.373125     -6.747417      2.490526
  H      -4.312492     -5.323450      0.746056
  H      -4.592871     -7.080951      0.878545
  H      -1.017067     -4.272954      1.459410
  H      -2.510938     -4.365365      0.534262
  H      -1.529175     -6.099967      2.847644
  H      -1.967326     -6.631104      1.198107
  C      -2.560411     -2.146565      2.162323
  C      -1.073551     -1.856435      1.832661
  C      -0.059628     -2.301929      2.884723
  C       1.378054     -2.097249      2.405624
  C       2.430676     -2.784087      3.253530
  Cl      2.335512     -4.592750      3.101401
  C      -3.006300     -1.245568      3.327407
  C      -3.025812      0.247428      2.988797
  C      -3.916775      0.527875      1.776428
  C      -3.486205     -0.315668      0.575417
  C      -3.436015     -1.806783      0.925509
  C      -7.268720     -4.368623      3.463968
  C      -7.802912     -5.453917      4.440671
  C      -6.931096     -5.751017      5.657092
  C      -7.445226     -6.893074      6.542326
  C      -8.719055     -6.520553      7.277338
  Cl     -9.252893     -7.839923      8.401382
  C      -7.324573     -2.986311      4.141068
  C      -6.991357     -1.836110      3.191547
  C      -7.907768     -1.812148      1.967843
  C      -7.933799     -3.181323      1.283491
  C      -8.286438     -4.275607      2.290254
  C      -2.407675     -5.306480      6.379286
  C      -3.559412     -5.475456      7.399225
  C      -3.298130     -5.071048      8.849044
  C      -4.541200     -5.266054      9.716730
  C      -4.372413     -4.852786     11.165680
  Cl     -3.160066     -5.887443     12.038471
  C      -1.232875     -6.249630      6.744942
  C       0.033894     -5.875819      5.977821
  C       0.591327     -4.537214      6.503646
  C      -0.524523     -3.681548      7.128413
  C      -1.846510     -3.849162      6.375742
  H      -0.819779     -2.328499      0.868867
  H      -0.960456     -0.776483      1.656789
  H      -0.219735     -3.363091      3.129436
  H      -0.211444     -1.749610      3.826129
  H       1.483964     -2.444633      1.364401
  H       1.621567     -1.019519      2.396990
  H       2.311132     -2.568128      4.323412
  H       3.447367     -2.519410      2.941217
  H      -4.020305     -1.546545      3.624252
  H      -2.375469     -1.443119      4.207187
  H      -2.006409      0.621764      2.792082
  H      -3.390865      0.806615      3.865103
  H      -3.900189      1.599337      1.521011
  H      -4.960610      0.277828      2.036044
  H      -2.496953      0.023160      0.222710
  H      -4.179784     -0.163431     -0.267431
  H      -3.078942     -2.378678      0.054406
  H      -4.456350     -2.165173      1.144238
  H      -8.808063     -5.130197      4.759216
  H      -7.957471     -6.392558      3.879103
  H      -6.802556     -4.843553      6.268665
  H      -5.916487     -6.010514      5.316871
  H      -6.674073     -7.152985      7.284289
  H      -7.623830     -7.795000      5.934047
  H      -9.562871     -6.349767      6.598984
  H      -8.575821     -5.629910      7.902893
  H      -6.652306     -2.966899      5.006097
  H      -8.353716     -2.862092      4.520674
  H      -7.045192     -0.877268      3.732386
  H      -5.949038     -1.948697      2.857564
  H      -7.585609     -1.030470      1.260701
  H      -8.934160     -1.551141      2.283171
  H      -6.941381     -3.388849      0.847910
  H      -8.657388     -3.184063      0.452749
  H      -8.414827     -5.250255      1.797748
  H      -9.265502     -4.044169      2.742989
  H      -4.401491     -4.883862      7.007030
  H      -3.878285     -6.533829      7.378780
  H      -2.470373     -5.654663      9.280973
  H      -2.994615     -4.011222      8.898252
  H      -4.875285     -6.315834      9.673630
  H      -5.371778     -4.658972      9.311339
  H      -4.002337     -3.823450     11.257866
  H      -5.305305     -4.954543     11.732275
  H      -1.512192     -7.299905      6.595120
  H      -1.040211     -6.152388      7.824549
  H      -0.216462     -5.780782      4.907919
  H       0.793870     -6.667772      6.051021
  H       1.377496     -4.722662      7.252603
  H       1.070161     -3.990101      5.678502
  H      -0.234352     -2.618766      7.126233
  H      -0.658844     -3.954564      8.187126
  H      -2.599617     -3.158043      6.778018
  H      -1.694461     -3.550632      5.327425
  N      -4.540305     -3.259650      5.174220
  H      -4.625671     -2.569221      5.921492
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264857504449
  N      -2.763477     -3.586024      2.501861
  C      -2.097587     -4.482493      1.548304
  C      -2.217100     -5.923813      2.005662
  N      -3.581477     -6.148066      2.507722
  C      -4.587524     -6.131079      1.437459
  C      -5.950961     -5.838510      2.023033
  N      -5.895759     -4.720122      2.966661
  Mo     -4.069715     -4.354057      3.850513
  N      -2.960125     -5.626163      5.023121
  C      -2.921700     -7.039726      4.676836
  C      -3.705313     -7.306999      3.400563
  H      -3.346616     -7.683882      5.473739
  H      -1.878345     -7.387136      4.538166
  H      -4.772000     -7.425812      3.629923
  H      -3.355577     -8.235451      2.908437
  H      -6.612421     -5.618033      1.168967
  H      -6.369215     -6.753049      2.491014
  H      -4.313720     -5.326778      0.742470
  H      -4.590808     -7.084711      0.875815
  H      -1.020123     -4.268232      1.450258
  H      -2.516276     -4.363198      0.529622
  H      -1.525704     -6.097959      2.839127
  H      -1.965971     -6.627251      1.189465
  C      -2.561961     -2.145898      2.161396
  C      -1.075126     -1.855506      1.833050
  C      -0.061482     -2.303330      2.884746
  C       1.376125     -2.100530      2.404931
  C       2.427484     -2.787948      3.253919
  Cl      2.330788     -4.596412      3.101273
  C      -3.007271     -1.247960      3.328898
  C      -3.026559      0.245866      2.994600
  C      -3.915802      0.530437      1.782098
  C      -3.484996     -0.310204      0.579257
  C      -3.437330     -1.802060      0.925472
  C      -7.267366     -4.373109      3.462339
  C      -7.800398     -5.457795      4.440552
  C      -6.920336     -5.757974      5.650223
  C      -7.441679     -6.883361      6.552301
  C      -8.690235     -6.477104      7.312541
  Cl     -9.233295     -7.779225      8.451776
  C      -7.322851     -2.990075      4.138136
  C      -6.990280     -1.840606      3.187700
  C      -7.907156     -1.817810      1.964463
  C      -7.934163     -3.187666      1.281730
  C      -8.286382     -4.280828      2.289924
  C      -2.409002     -5.307302      6.376537
  C      -3.563354     -5.482014      7.392182
  C      -3.308051     -5.079682      8.843569
  C      -4.554036     -5.279590      9.706102
  C      -4.392725     -4.867648     11.156119
  Cl     -3.180657     -5.899564     12.032268
  C      -1.232542     -6.247032      6.744471
  C       0.035238     -5.868704      5.981440
  C       0.586601     -4.527783      6.508685
  C      -0.532912     -3.677830      7.133466
  C      -1.852604     -3.848115      6.377565
  H      -0.821213     -2.325186      0.868273
  H      -0.962116     -0.775042      1.660207
  H      -0.223970     -3.364092      3.129257
  H      -0.211321     -1.750665      3.826212
  H       1.481386     -2.449885      1.364354
  H       1.620603     -1.023237      2.394254
  H       2.305805     -2.572941      4.323687
  H       3.444878     -2.523390      2.944144
  H      -4.020912     -1.549726      3.625741
  H      -2.375431     -1.447330      4.207566
  H      -2.006941      0.620731      2.800624
  H      -3.392930      0.802132      3.872148
  H      -3.897503      1.602557      1.530021
  H      -4.960196      0.280924      2.039610
  H      -2.495039      0.028262      0.228616
  H      -4.177478     -0.154588     -0.263784
  H      -3.081143     -2.372387      0.053129
  H      -4.458095     -2.159276      1.143833
  H      -8.801801     -5.130154      4.766570
  H      -7.962068     -6.395364      3.879758
  H      -6.771267     -4.846578      6.250871
  H      -5.914079     -6.036196      5.300479
  H      -6.661274     -7.156214      7.279852
  H      -7.653090     -7.784609      5.954049
  H      -9.543537     -6.286354      6.651665
  H      -8.510996     -5.588873      7.931964
  H      -6.649883     -2.969960      5.002484
  H      -8.351682     -2.865633      4.518171
  H      -7.045881     -0.881768      3.728249
  H      -5.947829     -1.951628      2.853633
  H      -7.584359     -1.037417      1.256304
  H      -8.933138     -1.555588      2.279641
  H      -6.941358     -3.395919      0.847563
  H      -8.657208     -3.191143      0.450775
  H      -8.416442     -5.255640      1.798463
  H      -9.264402     -4.048307      2.744262
  H      -4.406145     -4.892471      6.998591
  H      -3.878807     -6.541156      7.369118
  H      -2.480596     -5.662047      9.277505
  H      -3.007421     -4.019338      8.895923
  H      -4.884590     -6.330309      9.660229
  H      -5.384634     -4.674568      9.297935
  H      -4.026452     -3.837295     11.251205
  H      -5.327603     -4.973323     11.718563
  H      -1.508055     -7.297953      6.592260
  H      -1.043327     -6.150736      7.824637
  H      -0.211328     -5.774781      4.910733
  H       0.797440     -6.658148      6.057793
  H       1.373772     -4.709726      7.257219
  H       1.062393     -3.977896      5.683484
  H      -0.246492     -2.614158      7.134590
  H      -0.668599     -3.954343      8.191052
  H      -2.608742     -3.160498      6.779662
  H      -1.698890     -3.547361      5.330084
  N      -4.540806     -3.264098      5.172605
  H      -4.617279     -2.568693      5.916270
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264896086309
  N      -2.761592     -3.587859      2.501891
  C      -2.095640     -4.483938      1.548011
  C      -2.216395     -5.925913      2.003503
  N      -3.580995     -6.150148      2.504853
  C      -4.586617     -6.132481      1.434395
  C      -5.950327     -5.838941      2.019219
  N      -5.895071     -4.721623      2.964304
  Mo     -4.070047     -4.356341      3.848313
  N      -2.961326     -5.629037      5.020675
  C      -2.924193     -7.042825      4.674779
  C      -3.704852     -7.309855      3.396415
  H      -3.351533     -7.686192      5.470984
  H      -1.880795     -7.391232      4.539047
  H      -4.771828     -7.431324      3.622896
  H      -3.351906     -8.236937      2.903902
  H      -6.610681     -5.616303      1.164816
  H      -6.370458     -6.753254      2.485872
  H      -4.311971     -5.328208      0.739717
  H      -4.590414     -7.085971      0.872567
  H      -1.017982     -4.270238      1.451099
  H      -2.513120     -4.363745      0.528915
  H      -1.525631     -6.102418      2.836926
  H      -1.965815     -6.627951      1.185892
  C      -2.562383     -2.147495      2.162767
  C      -1.076215     -1.853570      1.834166
  C      -0.061073     -2.299929      2.885164
  C       1.375768     -2.093271      2.404842
  C       2.428893     -2.774019      3.257146
  Cl      2.342926     -4.582970      3.104911
  C      -3.008667     -1.252852      3.332516
  C      -3.032065      0.241681      3.001736
  C      -3.921903      0.527058      1.789865
  C      -3.489711     -0.310250      0.585145
  C      -3.439614     -1.802586      0.928383
  C      -7.266814     -4.374588      3.459231
  C      -7.799433     -5.459141      4.438141
  C      -6.912928     -5.760425      5.643138
  C      -7.434251     -6.878320      6.554305
  C      -8.663471     -6.453581      7.335594
  Cl     -9.210938     -7.750093      8.478748
  C      -7.322965     -2.991279      4.134689
  C      -6.989696     -1.841766      3.184437
  C      -7.905784     -1.819535      1.960472
  C      -7.932299     -3.189648      1.278213
  C      -8.285293     -4.282641      2.286377
  C      -2.411842     -5.310709      6.375098
  C      -3.567615     -5.483240      7.389453
  C      -3.313178     -5.081537      8.841203
  C      -4.561722     -5.276774      9.701334
  C      -4.402242     -4.864443     11.151408
  Cl     -3.195756     -5.900082     12.030702
  C      -1.237641     -6.252205      6.745390
  C       0.032571     -5.878355      5.984167
  C       0.584645     -4.535257      6.506463
  C      -0.533214     -3.684558      7.132275
  C      -1.853004     -3.852351      6.376082
  H      -0.821465     -2.321384      0.868821
  H      -0.965875     -0.772597      1.662973
  H      -0.221703     -3.361031      3.129332
  H      -0.211137     -1.747493      3.826692
  H       1.482703     -2.446317      1.365687
  H       1.615683     -1.015089      2.389991
  H       2.302046     -2.559878      4.326495
  H       3.445844     -2.503357      2.951290
  H      -4.021110     -1.558008      3.629988
  H      -2.374929     -1.452066      4.209853
  H      -2.013441      0.619770      2.809021
  H      -3.400241      0.794579      3.880660
  H      -3.905322      1.599787      1.540335
  H      -4.965924      0.275131      2.046699
  H      -2.500436      0.030675      0.235203
  H      -4.182508     -0.153915     -0.257485
  H      -3.083699     -2.370927      0.054632
  H      -4.459580     -2.161441      1.147771
  H      -8.798377     -5.129335      4.769304
  H      -7.965419     -6.395976      3.877705
  H      -6.754630     -4.846980      6.238091
  H      -5.911279     -6.046238      5.286380
  H      -6.645642     -7.161033      7.269249
  H      -7.667905     -7.777182      5.960884
  H      -9.523653     -6.244884      6.689132
  H      -8.458310     -5.571114      7.955132
  H      -6.650946     -2.971259      4.999888
  H      -8.352214     -2.866847      4.513340
  H      -7.047588     -0.883164      3.725210
  H      -5.946787     -1.951197      2.851504
  H      -7.582069     -1.039718      1.252106
  H      -8.931870     -1.556813      2.274751
  H      -6.938379     -3.397884      0.846560
  H      -8.653701     -3.193499      0.445932
  H      -8.415477     -5.257271      1.794625
  H      -9.263276     -4.049921      2.740701
  H      -4.408980     -4.892236      6.995200
  H      -3.884941     -6.541801      7.366661
  H      -2.488806     -5.667004      9.276749
  H      -3.008621     -4.022394      8.894088
  H      -4.895633     -6.326424      9.655336
  H      -5.389215     -4.669114      9.290879
  H      -4.032569     -3.835332     11.246607
  H      -5.338769     -4.966518     11.711763
  H      -1.515191     -7.302696      6.593630
  H      -1.049758     -6.155444      7.825659
  H      -0.210151     -5.789371      4.912252
  H       0.793288     -6.668581      6.067026
  H       1.374869     -4.714026      7.252461
  H       1.056588     -3.987141      5.677850
  H      -0.245237     -2.621334      7.134303
  H      -0.669457     -3.962103      8.189534
  H      -2.608145     -3.163492      6.777853
  H      -1.698053     -3.552550      5.328458
  N      -4.542253     -3.266107      5.169961
  H      -4.614149     -2.563278      5.907296
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.264944397875
  N      -2.761565     -3.586411      2.502730
  C      -2.094441     -4.481499      1.548985
  C      -2.214750     -5.923822      2.002797
  N      -3.579461     -6.149732      2.502893
  C      -4.584890     -6.131630      1.432530
  C      -5.949103     -5.838705      2.017018
  N      -5.894908     -4.721843      2.962947
  Mo     -4.071372     -4.356361      3.847329
  N      -2.962078     -5.628969      5.019723
  C      -2.923248     -7.042520      4.672933
  C      -3.701975     -7.310142      3.393379
  H      -3.350717     -7.686594      5.468400
  H      -1.879204     -7.389628      4.538439
  H      -4.769004     -7.434642      3.617919
  H      -3.345929     -8.236033      2.900722
  H      -6.609232     -5.615439      1.162610
  H      -6.369487     -6.753109      2.483226
  H      -4.310427     -5.326591      0.738587
  H      -4.588373     -7.084564      0.869816
  H      -1.016939     -4.266750      1.453051
  H      -2.510973     -4.360761      0.529422
  H      -1.524816     -6.100899      2.836745
  H      -1.963088     -6.624559      1.184379
  C      -2.563059     -2.146456      2.162526
  C      -1.076528     -1.853591      1.833338
  C      -0.061631     -2.299652      2.884855
  C       1.375198     -2.097375      2.403050
  C       2.427012     -2.776752      3.258100
  Cl      2.339263     -4.585938      3.110673
  C      -3.009002     -1.249239      3.330453
  C      -3.031689      0.244803      2.996857
  C      -3.920810      0.528440      1.784011
  C      -3.488675     -0.311643      0.581224
  C      -3.439723     -1.803354      0.927300
  C      -7.267132     -4.376522      3.458327
  C      -7.799281     -5.463629      4.434859
  C      -6.906057     -5.771344      5.633346
  C      -7.429961     -6.881758      6.551823
  C      -8.637440     -6.436454      7.354979
  Cl     -9.192907     -7.727706      8.499971
  C      -7.324633     -2.994859      4.136953
  C      -6.991456     -1.842809      3.189688
  C      -7.906895     -1.818466      1.965058
  C      -7.932250     -3.187140      1.279804
  C      -8.285013     -4.282626      2.285086
  C      -2.415299     -5.311258      6.375383
  C      -3.571986     -5.485605      7.388327
  C      -3.318833     -5.086516      8.841145
  C      -4.568964     -5.280546      9.699318
  C      -4.410276     -4.871044     11.150301
  Cl     -3.206876     -5.910631     12.029049
  C      -1.240472     -6.251626      6.746960
  C       0.031357     -5.876085      5.988952
  C       0.579329     -4.529866      6.508632
  C      -0.540047     -3.683282      7.136382
  C      -1.858301     -3.852172      6.378208
  H      -0.822479     -2.323171      0.868746
  H      -0.965362     -0.773016      1.660645
  H      -0.224433     -3.359846      3.131617
  H      -0.209978     -1.744722      3.825120
  H       1.480977     -2.455057      1.365389
  H       1.616793     -1.019676      2.383523
  H       2.299102     -2.559700      4.326749
  H       3.444680     -2.507882      2.953080
  H      -4.021462     -1.553413      3.628565
  H      -2.375057     -1.446734      4.207982
  H      -2.012809      0.622035      2.803996
  H      -3.400032      0.799276      3.874697
  H      -3.903039      1.600672      1.532463
  H      -4.965118      0.277966      2.040663
  H      -2.498940      0.027794      0.231293
  H      -4.180633     -0.156339     -0.262255
  H      -3.083866     -2.373482      0.054591
  H      -4.459813     -2.161303      1.147317
  H      -8.795513     -5.132504      4.772587
  H      -7.970432     -6.397526      3.871300
  H      -6.734100     -4.857845      6.224235
  H      -5.910293     -6.066852      5.267781
  H      -6.633940     -7.178247      7.252865
  H      -7.689197     -7.775995      5.962076
  H      -9.503397     -6.205853      6.723785
  H      -8.403525     -5.562126      7.975848
  H      -6.653302     -2.976673      5.002870
  H      -8.354218     -2.871747      4.514806
  H      -7.051623     -0.885776      3.733032
  H      -5.948181     -1.949494      2.857594
  H      -7.583127     -1.037115      1.258448
  H      -8.933114     -1.556687      2.279579
  H      -6.937683     -3.393437      0.848713
  H      -8.652830     -3.189849      0.446832
  H      -8.414424     -5.255988      1.790686
  H      -9.263279     -4.051660      2.739741
  H      -4.413085     -4.894098      6.994519
  H      -3.889238     -6.544197      7.364114
  H      -2.496204     -5.674262      9.276810
  H      -3.012161     -4.028129      8.896333
  H      -4.905499     -6.329235      9.650975
  H      -5.394291     -4.669922      9.289009
  H      -4.038648     -3.842870     11.247697
  H      -5.347670     -4.972197     11.709366
  H      -1.516342     -7.302287      6.593280
  H      -1.055105     -6.156117      7.827660
  H      -0.207714     -5.791017      4.915967
  H       0.793482     -6.664381      6.076903
  H       1.372853     -4.704072      7.252176
  H       1.045970     -3.980478      5.677837
  H      -0.254132     -2.619512      7.141594
  H      -0.676478     -3.964107      8.192749
  H      -2.615236     -3.164665      6.779016
  H      -1.701682     -3.551917      5.330937
  N      -4.545007     -3.267172      5.169636
  H      -4.611055     -2.555776      5.899519
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265023513864
  N      -2.760305     -3.586582      2.501551
  C      -2.091740     -4.481700      1.549009
  C      -2.214077     -5.924018      2.001478
  N      -3.579486     -6.149820      2.499672
  C      -4.584409     -6.128610      1.429564
  C      -5.948857     -5.834975      2.013546
  N      -5.894686     -4.719669      2.961833
  Mo     -4.071530     -4.355782      3.845054
  N      -2.963828     -5.629133      5.018208
  C      -2.925781     -7.042658      4.670747
  C      -3.703272     -7.310032      3.390149
  H      -3.354419     -7.686431      5.465712
  H      -1.881813     -7.390449      4.537185
  H      -4.770791     -7.434547      3.612807
  H      -3.346603     -8.236450      2.898710
  H      -6.607790     -5.608454      1.159129
  H      -6.371444     -6.749200      2.478007
  H      -4.308932     -5.322263      0.737305
  H      -4.589098     -7.080184      0.864561
  H      -1.013990     -4.267376      1.455928
  H      -2.505313     -4.359504      0.528190
  H      -1.526005     -6.101607      2.836886
  H      -1.961219     -6.624287      1.183015
  C      -2.562135     -2.146598      2.161300
  C      -1.075129     -1.854281      1.830953
  C      -0.060592     -2.297716      2.884018
  C       1.376451     -2.099946      2.401373
  C       2.426666     -2.777723      3.259697
  Cl      2.336928     -4.587267      3.118369
  C      -3.006278     -1.247244      3.328130
  C      -3.027285      0.246576      2.992517
  C      -3.917603      0.529481      1.780203
  C      -3.487473     -0.312886      0.578274
  C      -3.439295     -1.804261      0.926214
  C      -7.267305     -4.377006      3.459888
  C      -7.796581     -5.466284      4.435992
  C      -6.898119     -5.773792      5.630852
  C      -7.415506     -6.885529      6.550948
  C      -8.610877     -6.436305      7.369318
  Cl     -9.170736     -7.734200      8.504620
  C      -7.326931     -2.996619      4.140499
  C      -6.995872     -1.842440      3.194706
  C      -7.912966     -1.817838      1.970891
  C      -7.936870     -3.185663      1.283663
  C      -8.286090     -4.283429      2.287249
  C      -2.419156     -5.312344      6.374677
  C      -3.577527     -5.486348      7.385819
  C      -3.326047     -5.088889      8.839612
  C      -4.578769     -5.276990      9.695240
  C      -4.419571     -4.870469     11.147157
  Cl     -3.223178     -5.917928     12.026142
  C      -1.245139     -6.253461      6.748354
  C       0.030494     -5.877889      5.996319
  C       0.573904     -4.527323      6.510942
  C      -0.546546     -3.685453      7.142179
  C      -1.861989     -3.853322      6.379614
  H      -0.821680     -2.327598      0.868036
  H      -0.963364     -0.774454      1.654484
  H      -0.224231     -3.356949      3.134556
  H      -0.208876     -1.739801      3.822516
  H       1.481327     -2.462301      1.365247
  H       1.619882     -1.022672      2.377319
  H       2.298114     -2.556425      4.327461
  H       3.445196     -2.511443      2.955095
  H      -4.018975     -1.549747      3.627089
  H      -2.372020     -1.444489      4.205517
  H      -2.008102      0.622070      2.797717
  H      -3.393550      0.802544      3.870283
  H      -3.898687      1.601356      1.526984
  H      -4.961940      0.280626      2.038278
  H      -2.497510      0.024995      0.227297
  H      -4.179403     -0.158052     -0.265351
  H      -3.084393     -2.375303      0.053555
  H      -4.459325     -2.161580      1.147463
  H      -8.792496     -5.137796      4.777012
  H      -7.967649     -6.399080      3.870578
  H      -6.725574     -4.860115      6.221333
  H      -5.903144     -6.065522      5.259585
  H      -6.612602     -7.188251      7.241366
  H      -7.686877     -7.776283      5.961155
  H      -9.479436     -6.188427      6.748156
  H      -8.361446     -5.571977      7.998280
  H      -6.655924     -2.979148      5.006975
  H      -8.356760     -2.875256      4.518068
  H      -7.057735     -0.886436      3.739832
  H      -5.952748     -1.946139      2.861868
  H      -7.591800     -1.034963      1.264762
  H      -8.938962     -1.558016      2.287910
  H      -6.942724     -3.388702      0.849927
  H      -8.658942     -3.188819      0.451840
  H      -8.413622     -5.256032      1.790881
  H      -9.264643     -4.055489      2.743009
  H      -4.417502     -4.893670      6.991342
  H      -3.896041     -6.544725      7.361088
  H      -2.507014     -5.680736      9.276529
  H      -3.014150     -4.032046      8.896361
  H      -4.922219     -6.323350      9.644656
  H      -5.399399     -4.660025      9.284921
  H      -4.042296     -3.844515     11.246386
  H      -5.358312     -4.967028     11.704853
  H      -1.520432     -7.303747      6.590904
  H      -1.064160     -6.160977      7.830005
  H      -0.201869     -5.799916      4.921299
  H       0.793468     -6.664276      6.093691
  H       1.372971     -4.695070      7.250122
  H       1.032357     -3.976761      5.676398
  H      -0.261694     -2.621364      7.153577
  H      -0.684024     -3.971994      8.196925
  H      -2.621167     -3.165927      6.776686
  H      -1.700573     -3.553430      5.332935
  N      -4.545760     -3.264806      5.165761
  H      -4.608954     -2.537127      5.880079
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265151862787
  N      -2.758004     -3.586018      2.502080
  C      -2.087002     -4.480997      1.551169
  C      -2.210556     -5.923362      2.002403
  N      -3.576792     -6.150146      2.497884
  C      -4.581014     -6.125201      1.427787
  C      -5.945676     -5.831375      2.011073
  N      -5.892216     -4.716932      2.960954
  Mo     -4.070191     -4.355051      3.844139
  N      -2.966012     -5.629137      5.019883
  C      -2.925784     -7.042265      4.670243
  C      -3.701891     -7.310053      3.388727
  H      -3.354462     -7.687011      5.464251
  H      -1.881429     -7.388940      4.536839
  H      -4.769949     -7.434424      3.609743
  H      -3.344979     -8.237562      2.899372
  H      -6.603613     -5.602840      1.156507
  H      -6.369618     -6.745296      2.474716
  H      -4.304508     -5.317351      0.737443
  H      -4.587123     -7.075123      0.859798
  H      -1.008962     -4.266598      1.461661
  H      -2.497268     -4.357171      0.529022
  H      -1.524465     -6.100005      2.839849
  H      -1.954866     -6.623501      1.184712
  C      -2.561495     -2.145635      2.160497
  C      -1.074389     -1.852522      1.827839
  C      -0.059391     -2.293032      2.881430
  C       1.377854     -2.103464      2.395891
  C       2.426759     -2.781582      3.255527
  Cl      2.328836     -4.591508      3.124316
  C      -3.005058     -1.243560      3.325290
  C      -3.025572      0.249623      2.985839
  C      -3.918712      0.529261      1.774646
  C      -3.490285     -0.315970      0.574080
  C      -3.439559     -1.806757      0.925194
  C      -7.265699     -4.377680      3.461091
  C      -7.792644     -5.470236      4.434874
  C      -6.891806     -5.780889      5.627307
  C      -7.409137     -6.892254      6.547871
  C      -8.589277     -6.431810      7.381694
  Cl     -9.166819     -7.734635      8.502785
  C      -7.328060     -2.999480      4.145226
  C      -6.998648     -1.842118      3.202450
  C      -7.917116     -1.815626      1.979379
  C      -7.938947     -3.181577      1.288171
  C      -8.284441     -4.283366      2.288293
  C      -2.422495     -5.313331      6.376692
  C      -3.582358     -5.487562      7.386300
  C      -3.332985     -5.093369      8.841514
  C      -4.589263     -5.273653      9.693342
  C      -4.428918     -4.874778     11.147487
  Cl     -3.243626     -5.936379     12.024767
  C      -1.248235     -6.254476      6.751697
  C       0.030263     -5.879627      6.004026
  C       0.568125     -4.522760      6.508879
  C      -0.552207     -3.687808      7.149040
  C      -1.866400     -3.854117      6.384496
  H      -0.822037     -2.329646      0.866370
  H      -0.962630     -0.773514      1.646944
  H      -0.224874     -3.350753      3.137554
  H      -0.205867     -1.730849      3.817722
  H       1.479271     -2.470665      1.361113
  H       1.626090     -1.027203      2.366979
  H       2.302533     -2.552735      4.322283
  H       3.445898     -2.522361      2.946552
  H      -4.018308     -1.544756      3.624157
  H      -2.371405     -1.439763      4.203398
  H      -2.006567      0.623779      2.787199
  H      -3.388955      0.808202      3.863172
  H      -3.900784      1.600494      1.518278
  H      -4.962401      0.280647      2.035721
  H      -2.500960      0.021806      0.220616
  H      -4.183297     -0.163923     -0.269242
  H      -3.084237     -2.378464      0.053026
  H      -4.458882     -2.165728      1.147175
  H      -8.788787     -5.144410      4.777765
  H      -7.963652     -6.401151      3.865929
  H      -6.715920     -4.868089      6.218322
  H      -5.897915     -6.071487      5.252312
  H      -6.601475     -7.207937      7.226681
  H      -7.699545     -7.776463      5.956963
  H      -9.456886     -6.157422      6.770267
  H      -8.318035     -5.582063      8.021635
  H      -6.658432     -2.983453      5.013027
  H      -8.358694     -2.880385      4.521549
  H      -7.060841     -0.887495      3.750124
  H      -5.955641     -1.943830      2.868800
  H      -7.599181     -1.029800      1.275005
  H      -8.943092     -1.558925      2.299417
  H      -6.945821     -3.380393      0.849952
  H      -8.663269     -3.184063      0.458016
  H      -8.408487     -5.254841      1.788696
  H      -9.264130     -4.060093      2.744127
  H      -4.420587     -4.892594      6.991395
  H      -3.902634     -6.545580      7.359769
  H      -2.518955     -5.691328      9.279760
  H      -3.013858     -4.038694      8.901187
  H      -4.943503     -6.316197      9.637532
  H      -5.402906     -4.646329      9.284501
  H      -4.042730     -3.852567     11.251620
  H      -5.369581     -4.965123     11.703121
  H      -1.522535     -7.304625      6.591589
  H      -1.070677     -6.164125      7.834166
  H      -0.195971     -5.812758      4.926854
  H       0.794755     -6.663060      6.112936
  H       1.377895     -4.680481      7.238754
  H       1.011250     -3.970342      5.667429
  H      -0.268896     -2.623282      7.168507
  H      -0.687384     -3.982570      8.201878
  H      -2.627960     -3.168041      6.779730
  H      -1.702169     -3.552925      5.338566
  N      -4.546456     -3.260381      5.161786
  H      -4.601700     -2.504520      5.847705
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265324784038
  N      -2.755252     -3.586223      2.500915
  C      -2.082958     -4.481533      1.551074
  C      -2.206884     -5.923805      2.002365
  N      -3.573313     -6.151231      2.496189
  C      -4.577733     -6.121427      1.427087
  C      -5.941917     -5.826790      2.010726
  N      -5.888112     -4.713497      2.962549
  Mo     -4.065908     -4.353611      3.844079
  N      -2.965984     -5.628207      5.021907
  C      -2.922861     -7.040774      4.669614
  C      -3.700213     -7.309378      3.388911
  H      -3.349622     -7.686898      5.463402
  H      -1.878238     -7.385732      4.534172
  H      -4.768567     -7.430876      3.610900
  H      -3.346121     -8.239592      2.902524
  H      -6.599035     -5.595900      1.156203
  H      -6.367178     -6.740457      2.473413
  H      -4.300209     -5.311989      0.738921
  H      -4.586800     -7.069226      0.855246
  H      -1.004688     -4.267468      1.463942
  H      -2.491186     -4.356407      0.528266
  H      -1.521758     -6.098051      2.841279
  H      -1.948386     -6.624613      1.186117
  C      -2.559986     -2.145459      2.157703
  C      -1.072896     -1.851501      1.823885
  C      -0.058025     -2.288820      2.878720
  C       1.379801     -2.108826      2.390700
  C       2.426536     -2.792795      3.248242
  Cl      2.313388     -4.602449      3.124147
  C      -3.004193     -1.241535      3.320491
  C      -3.023564      0.251023      2.978105
  C      -3.918970      0.527875      1.767862
  C      -3.491704     -0.319460      0.568381
  C      -3.438553     -1.809765      0.922015
  C      -7.261950     -4.376346      3.464949
  C      -7.785381     -5.469539      4.439521
  C      -6.887552     -5.774269      5.635635
  C      -7.402394     -6.889118      6.553718
  C      -8.581009     -6.428811      7.389815
  Cl     -9.175940     -7.740870      8.491449
  C      -7.326031     -2.998474      4.148946
  C      -6.999058     -1.840754      3.205592
  C      -7.920798     -1.815315      1.984934
  C      -7.942257     -3.180991      1.293140
  C      -8.282123     -4.284459      2.293241
  C      -2.423969     -5.313449      6.378978
  C      -3.584817     -5.493225      7.386675
  C      -3.339110     -5.104519      8.843905
  C      -4.599018     -5.282017      9.690552
  C      -4.439808     -4.894789     11.148138
  Cl     -3.264570     -5.970708     12.021716
  C      -1.246850     -6.251585      6.753603
  C       0.033485     -5.872698      6.011250
  C       0.560519     -4.507236      6.505648
  C      -0.561346     -3.685016      7.158860
  C      -1.873936     -3.852276      6.392353
  H      -0.820911     -2.332113      0.863911
  H      -0.961253     -0.773265      1.638649
  H      -0.226041     -3.344711      3.141179
  H      -0.202593     -1.721746      3.812436
  H       1.476510     -2.477072      1.355833
  H       1.635706     -1.034225      2.360946
  H       2.310233     -2.557781      4.314571
  H       3.446271     -2.544027      2.932480
  H      -4.018798     -1.541093      3.616872
  H      -2.372957     -1.437869      4.200357
  H      -2.004639      0.623777      2.776222
  H      -3.384402      0.812023      3.854965
  H      -3.902421      1.598536      1.508837
  H      -4.962027      0.279007      2.031628
  H      -2.503014      0.018466      0.212788
  H      -4.185741     -0.169981     -0.274600
  H      -3.082500     -2.381843      0.050363
  H      -4.457389     -2.170357      1.143984
  H      -8.784790     -5.148761      4.777851
  H      -7.950135     -6.402191      3.871169
  H      -6.720152     -4.860563      6.228076
  H      -5.889574     -6.055842      5.264807
  H      -6.593784     -7.208648      7.229380
  H      -7.696732     -7.770341      5.960110
  H      -9.443085     -6.137943      6.778116
  H      -8.304692     -5.590657      8.042854
  H      -6.657271     -2.981566      5.017484
  H      -8.357183     -2.880630      4.524733
  H      -7.059266     -0.885760      3.752908
  H      -5.956730     -1.942990      2.869477
  H      -7.607195     -1.028269      1.279949
  H      -8.946244     -1.560966      2.308877
  H      -6.951762     -3.376946      0.847653
  H      -8.671235     -3.184374      0.466806
  H      -8.402991     -5.256263      1.793378
  H      -9.262443     -4.064901      2.749547
  H      -4.422486     -4.897074      6.992133
  H      -3.903917     -6.551565      7.355691
  H      -2.528785     -5.707239      9.282868
  H      -3.015739     -4.051337      8.908560
  H      -4.961716     -6.321226      9.626246
  H      -5.406691     -4.645169      9.284378
  H      -4.046879     -3.875969     11.260500
  H      -5.382638     -4.982433     11.700603
  H      -1.516815     -7.302165      6.588623
  H      -1.073489     -6.165026      7.837137
  H      -0.185400     -5.818791      4.931812
  H       0.801942     -6.650359      6.133137
  H       1.384596     -4.650561      7.222442
  H       0.981357     -3.949854      5.656075
  H      -0.282879     -2.619387      7.189373
  H      -0.691973     -3.991764      8.208890
  H      -2.640601     -3.170923      6.786049
  H      -1.707250     -3.547438      5.347741
  N      -4.545033     -3.253011      5.156874
  H      -4.589268     -2.457252      5.798170
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265549586799
  N      -2.752303     -3.585818      2.501011
  C      -2.079456     -4.481135      1.551068
  C      -2.201367     -5.923843      2.002462
  N      -3.567091     -6.153430      2.495397
  C      -4.572147     -6.119648      1.427453
  C      -5.935570     -5.823829      2.011637
  N      -5.882028     -4.711338      2.964943
  Mo     -4.059765     -4.352635      3.845871
  N      -2.966292     -5.626996      5.026169
  C      -2.916111     -7.038580      4.670035
  C      -3.694747     -7.309322      3.390470
  H      -3.338622     -7.687672      5.463480
  H      -1.870304     -7.378595      4.531930
  H      -4.763056     -7.428418      3.614527
  H      -3.343254     -8.242204      2.907240
  H      -6.592210     -5.592276      1.156939
  H      -6.361092     -6.737456      2.473912
  H      -4.293618     -5.309510      0.740654
  H      -4.584651     -7.065811      0.852497
  H      -1.001159     -4.266666      1.464969
  H      -2.487518     -4.355382      0.528545
  H      -1.515601     -6.095145      2.841612
  H      -1.939629     -6.624812      1.187298
  C      -2.558400     -2.144557      2.155183
  C      -1.072058     -1.849094      1.820478
  C      -0.056474     -2.283462      2.875502
  C       1.381473     -2.113795      2.383134
  C       2.427427     -2.805360      3.235432
  Cl      2.296265     -4.614417      3.118412
  C      -3.004525     -1.240683      3.316919
  C      -3.023158      0.251526      2.973767
  C      -3.920202      0.526715      1.764435
  C      -3.493420     -0.321008      0.565090
  C      -3.437669     -1.811222      0.919467
  C      -7.256647     -4.376634      3.468016
  C      -7.777135     -5.471131      4.441810
  C      -6.884591     -5.774160      5.641829
  C      -7.406037     -6.888633      6.557544
  C      -8.577909     -6.418800      7.398276
  Cl     -9.198125     -7.733825      8.482845
  C      -7.322579     -2.999266      4.152648
  C      -6.998004     -1.841161      3.209174
  C      -7.922634     -1.815941      1.991121
  C      -7.943673     -3.180743      1.297823
  C      -8.278101     -4.286488      2.297535
  C      -2.425728     -5.312359      6.383751
  C      -3.588115     -5.497101      7.389071
  C      -3.345140     -5.116017      8.848551
  C      -4.609205     -5.289715      9.689539
  C      -4.451425     -4.918215     11.151354
  Cl     -3.289991     -6.013865     12.019081
  C      -1.245657     -6.246457      6.758600
  C       0.035283     -5.866726      6.018248
  C       0.551721     -4.490669      6.495894
  C      -0.568936     -3.680656      7.165638
  C      -1.883105     -3.848896      6.402232
  H      -0.819992     -2.330826      0.860976
  H      -0.961783     -0.771093      1.632804
  H      -0.228380     -3.336924      3.145420
  H      -0.196656     -1.709956      3.806072
  H       1.471721     -2.481593      1.347497
  H       1.646142     -1.041232      2.353507
  H       2.322747     -2.564840      4.301679
  H       3.446691     -2.568172      2.909334
  H      -4.020978     -1.539321      3.608238
  H      -2.376795     -1.438324      4.199027
  H      -2.004395      0.623675      2.769870
  H      -3.382458      0.813923      3.850384
  H      -3.905664      1.597097      1.504160
  H      -4.962578      0.276714      2.030242
  H      -2.505648      0.017973      0.207690
  H      -4.188981     -0.173389     -0.276977
  H      -3.080669     -2.382860      0.048043
  H      -4.456121     -2.173563      1.140697
  H      -8.779287     -5.153655      4.775662
  H      -7.937313     -6.404949      3.873761
  H      -6.719644     -4.860539      6.235376
  H      -5.884362     -6.054942      5.277199
  H      -6.598837     -7.220034      7.228835
  H      -7.712620     -7.763641      5.960976
  H      -9.433233     -6.105987      6.787961
  H      -8.289395     -5.593920      8.062693
  H      -6.654853     -2.981477      5.021930
  H      -8.354434     -2.883467      4.527874
  H      -7.054841     -0.885753      3.756063
  H      -5.956510     -1.945416      2.870083
  H      -7.613007     -1.027141      1.286306
  H      -8.947869     -1.564489      2.318223
  H      -6.955937     -3.374299      0.845188
  H      -8.677298     -3.184002      0.475451
  H      -8.395853     -5.258526      1.797304
  H      -9.259011     -4.070740      2.754220
  H      -4.423662     -4.897162      6.995463
  H      -3.907782     -6.554962      7.351643
  H      -2.539852     -5.725426      9.287871
  H      -3.016081     -4.064957      8.919143
  H      -4.982022     -6.324622      9.614264
  H      -5.409570     -4.641375      9.286999
  H      -4.049204     -3.904287     11.274976
  H      -5.396977     -5.002113     11.699747
  H      -1.511913     -7.297962      6.593005
  H      -1.074576     -6.159819      7.842510
  H      -0.176754     -5.830280      4.936831
  H       0.807374     -6.638202      6.155740
  H       1.394070     -4.615483      7.194597
  H       0.943352     -3.929851      5.634663
  H      -0.294800     -2.614182      7.204693
  H      -0.691266     -3.998372      8.213444
  H      -2.653970     -3.173597      6.798160
  H      -1.718110     -3.538867      5.358695
  N      -4.544561     -3.244905      5.152897
  H      -4.561431     -2.396841      5.726944
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265728372350
  N      -2.752107     -3.584582      2.501192
  C      -2.080437     -4.479561      1.549389
  C      -2.198448     -5.923376      2.000480
  N      -3.562296     -6.155573      2.494714
  C      -4.569528     -6.119659      1.429206
  C      -5.931491     -5.822502      2.016029
  N      -5.876865     -4.710813      2.970230
  Mo     -4.052913     -4.352518      3.850177
  N      -2.964426     -5.626717      5.029129
  C      -2.907573     -7.037074      4.669011
  C      -3.690014     -7.308921      3.392152
  H      -3.323842     -7.689581      5.462727
  H      -1.860634     -7.371516      4.526445
  H      -4.757749     -7.423874      3.621268
  H      -3.343233     -8.244449      2.910597
  H      -6.588895     -5.591328      1.161762
  H      -6.356204     -6.736654      2.478087
  H      -4.291184     -5.309567      0.742586
  H      -4.585635     -7.065023      0.852699
  H      -1.002554     -4.263973      1.461600
  H      -2.491232     -4.354162      0.528359
  H      -1.509769     -6.092783      2.837639
  H      -1.935015     -6.623380      1.184864
  C      -2.558938     -2.143345      2.152324
  C      -1.072917     -1.845813      1.822615
  C      -0.059443     -2.280464      2.879460
  C       1.379598     -2.112791      2.388712
  C       2.423887     -2.817438      3.232293
  Cl      2.278965     -4.624828      3.104827
  C      -3.013023     -1.240561      3.311647
  C      -3.032072      0.251395      2.968951
  C      -3.924544      0.524595      1.755983
  C      -3.491956     -0.322716      0.558471
  C      -3.435008     -1.812719      0.913634
  C      -7.251083     -4.374103      3.472007
  C      -7.769958     -5.465088      4.449498
  C      -6.886112     -5.758821      5.657461
  C      -7.412023     -6.874745      6.569766
  C      -8.596931     -6.410803      7.395933
  Cl     -9.222235     -7.727883      8.475243
  C      -7.315322     -2.993904      4.151623
  C      -6.992355     -1.840500      3.202339
  C      -7.919970     -1.819266      1.987191
  C      -7.943438     -3.186174      1.298441
  C      -8.274587     -4.288721      2.303366
  C      -2.423738     -5.312465      6.387172
  C      -3.586750     -5.502111      7.390972
  C      -3.343486     -5.128695      8.852053
  C      -4.608590     -5.305348      9.690914
  C      -4.451870     -4.946185     11.155686
  Cl     -3.295581     -6.053033     12.016100
  C      -1.241588     -6.243486      6.760196
  C       0.038753     -5.862800      6.019759
  C       0.548614     -4.480377      6.487448
  C      -0.570295     -3.677283      7.168019
  C      -1.887317     -3.846913      6.409618
  H      -0.817053     -2.324217      0.862512
  H      -0.964288     -0.767061      1.637696
  H      -0.234342     -3.333166      3.150366
  H      -0.199234     -1.705029      3.808935
  H       1.467986     -2.470104      1.349240
  H       1.650088     -1.041537      2.370041
  H       2.326636     -2.583031      4.300474
  H       3.442736     -2.585584      2.901285
  H      -4.031984     -1.539968      3.593178
  H      -2.391756     -1.438337      4.198218
  H      -2.013097      0.625208      2.769523
  H      -3.396318      0.813786      3.843518
  H      -3.911609      1.594833      1.495376
  H      -4.967385      0.272461      2.018176
  H      -2.503988      0.018078      0.203705
  H      -4.185882     -0.176979     -0.285214
  H      -3.074153     -2.384426      0.044045
  H      -4.453867     -2.176205      1.131250
  H      -8.775591     -5.149595      4.775238
  H      -7.923099     -6.403588      3.887269
  H      -6.731223     -4.843534      6.251270
  H      -5.880886     -6.036925      5.305130
  H      -6.611244     -7.201627      7.250749
  H      -7.706771     -7.751892      5.970625
  H      -9.446548     -6.105736      6.773957
  H      -8.323264     -5.582723      8.062363
  H      -6.646037     -2.972350      5.019527
  H      -8.346602     -2.877160      4.528634
  H      -7.044141     -0.882143      3.744337
  H      -5.952172     -1.950294      2.859782
  H      -7.611918     -1.032729      1.279166
  H      -8.944717     -1.567137      2.315157
  H      -6.958269     -3.382040      0.841369
  H      -8.681039     -3.191246      0.479720
  H      -8.392639     -5.263049      1.807671
  H      -9.254723     -4.071672      2.760725
  H      -4.420396     -4.897896      6.999902
  H      -3.907336     -6.559163      7.346491
  H      -2.539550     -5.741287      9.289401
  H      -3.013767     -4.078297      8.927430
  H      -4.983402     -6.338864      9.607226
  H      -5.407218     -4.652668      9.292173
  H      -4.046484     -3.934672     11.288296
  H      -5.398414     -5.031582     11.702023
  H      -1.505553     -7.295700      6.594786
  H      -1.070457     -6.156482      7.843971
  H      -0.169134     -5.836375      4.937475
  H       0.812967     -6.630490      6.166253
  H       1.402337     -4.593718      7.173886
  H       0.920671     -3.917344      5.618898
  H      -0.298848     -2.610327      7.209589
  H      -0.685960     -4.000245      8.214961
  H      -2.660543     -3.176940      6.809562
  H      -1.725927     -3.532007      5.366854
  N      -4.542157     -3.240491      5.155873
  H      -4.528981     -2.350050      5.664442
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265834484921
  N      -2.755914     -3.583195      2.501707
  C      -2.086588     -4.477368      1.546915
  C      -2.200153     -5.922467      1.996951
  N      -3.561856     -6.157399      2.493881
  C      -4.571054     -6.125034      1.429897
  C      -5.932026     -5.827058      2.018890
  N      -5.876912     -4.714550      2.971522
  Mo     -4.052016     -4.354090      3.852735
  N      -2.965941     -5.627188      5.029414
  C      -2.903875     -7.036920      4.667841
  C      -3.687587     -7.309767      3.392281
  H      -3.315989     -7.691598      5.461789
  H      -1.855641     -7.366541      4.523890
  H      -4.754629     -7.424004      3.624548
  H      -3.341712     -8.245306      2.910149
  H      -6.591184     -5.598982      1.165073
  H      -6.354736     -6.741637      2.482254
  H      -4.294067     -5.317008      0.740558
  H      -4.587644     -7.072259      0.856510
  H      -1.009396     -4.259916      1.455499
  H      -2.501769     -4.353195      0.527885
  H      -1.507813     -6.092896      2.830775
  H      -1.937405     -6.620132      1.178947
  C      -2.560392     -2.142106      2.153701
  C      -1.074291     -1.844855      1.829385
  C      -0.062579     -2.283260      2.886496
  C       1.376823     -2.107991      2.399315
  C       2.421926     -2.819485      3.236182
  Cl      2.278435     -4.625689      3.091569
  C      -3.019426     -1.243146      3.314174
  C      -3.037096      0.249815      2.977079
  C      -3.922982      0.527479      1.760448
  C      -3.486212     -0.316802      0.562275
  C      -3.433095     -1.807732      0.913560
  C      -7.250609     -4.374718      3.470761
  C      -7.770520     -5.461971      4.451444
  C      -6.889214     -5.754284      5.661168
  C      -7.420066     -6.868124      6.573562
  C      -8.616112     -6.409778      7.386976
  Cl     -9.224142     -7.719420      8.484659
  C      -7.311989     -2.991649      4.145860
  C      -6.990109     -1.842737      3.191279
  C      -7.918580     -1.824763      1.977310
  C      -7.943509     -3.193911      1.293267
  C      -8.275313     -4.292133      2.303182
  C      -2.422929     -5.311618      6.387774
  C      -3.585687     -5.498724      7.392101
  C      -3.337377     -5.126382      8.852492
  C      -4.599373     -5.306683      9.695675
  C      -4.440487     -4.946014     11.159482
  Cl     -3.279004     -6.049547     12.017146
  C      -1.242299     -6.243364      6.760228
  C       0.036389     -5.867699      6.014568
  C       0.552027     -4.487326      6.481961
  C      -0.563693     -3.676927      7.159283
  C      -1.885229     -3.846268      6.407945
  H      -0.815230     -2.317284      0.867336
  H      -0.966324     -0.764795      1.650919
  H      -0.237659     -3.337124      3.152012
  H      -0.203972     -1.710872      3.817570
  H       1.467817     -2.454029      1.356236
  H       1.645201     -1.036269      2.392178
  H       2.324070     -2.596925      4.306736
  H       3.440142     -2.582458      2.907178
  H      -4.040056     -1.543284      3.588004
  H      -2.402208     -1.443597      4.202964
  H      -2.017129      0.624664      2.785177
  H      -3.406842      0.809222      3.851234
  H      -3.907817      1.598490      1.503537
  H      -4.967371      0.275675      2.016623
  H      -2.496933      0.024088      0.211969
  H      -4.177700     -0.167818     -0.282774
  H      -3.070841     -2.378365      0.044034
  H      -4.453312     -2.169242      1.127970
  H      -8.775235     -5.142777      4.776602
  H      -7.925225     -6.402550      3.893470
  H      -6.732658     -4.838753      6.253816
  H      -5.884406     -6.039831      5.313683
  H      -6.624722     -7.187171      7.264682
  H      -7.701356     -7.750097      5.975324
  H      -9.468332     -6.129580      6.757046
  H      -8.359151     -5.566241      8.040236
  H      -6.638897     -2.967021      5.010696
  H      -8.341760     -2.873513      4.526473
  H      -7.039051     -0.882048      3.729207
  H      -5.950942     -1.956459      2.846562
  H      -7.609379     -1.041005      1.266705
  H      -8.943403     -1.570961      2.303381
  H      -6.957912     -3.393428      0.838809
  H      -8.680635     -3.200778      0.474429
  H      -8.396292     -5.268298      1.811934
  H      -9.254027     -4.071106      2.761481
  H      -4.417405     -4.890882      7.002917
  H      -3.909609     -6.554461      7.346142
  H      -2.531309     -5.737770      9.287235
  H      -3.010041     -4.075299      8.926441
  H      -4.968679     -6.342272      9.613899
  H      -5.402200     -4.658915      9.297711
  H      -4.037554     -3.933417     11.290938
  H      -5.385437     -5.033970     11.708040
  H      -1.509341     -7.295770      6.601028
  H      -1.066866     -6.151247      7.842773
  H      -0.174619     -5.839119      4.933132
  H       0.808253     -6.638294      6.158063
  H       1.402987     -4.604758      7.170832
  H       0.928923     -3.927412      5.613403
  H      -0.289424     -2.610515      7.191537
  H      -0.678060     -3.992237      8.208680
  H      -2.655098     -3.176390      6.814050
  H      -1.730208     -3.529971      5.364656
  N      -4.542576     -3.243151      5.161653
  H      -4.519468     -2.338576      5.645786
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265906387124
  N      -2.759404     -3.582836      2.502747
  C      -2.092476     -4.476718      1.545757
  C      -2.204867     -5.922873      1.993239
  N      -3.565354     -6.158917      2.491801
  C      -4.575853     -6.129989      1.429028
  C      -5.936141     -5.829877      2.019549
  N      -5.879709     -4.717524      2.971749
  Mo     -4.054095     -4.355618      3.853712
  N      -2.970323     -5.627708      5.027516
  C      -2.906248     -7.037548      4.666118
  C      -3.689513     -7.310938      3.390526
  H      -3.317255     -7.692439      5.460325
  H      -1.857187     -7.364922      4.523409
  H      -4.756268     -7.425911      3.623404
  H      -3.342489     -8.245730      2.907720
  H      -6.596188     -5.601941      1.166313
  H      -6.359372     -6.744411      2.482885
  H      -4.299551     -5.324220      0.736758
  H      -4.592884     -7.079389      0.859508
  H      -1.015731     -4.258442      1.452130
  H      -2.510068     -4.352730      0.527707
  H      -1.510512     -6.097315      2.824465
  H      -1.944022     -6.617246      1.171698
  C      -2.560488     -2.142577      2.156157
  C      -1.073590     -1.847450      1.835908
  C      -0.063852     -2.290341      2.893574
  C       1.375768     -2.105887      2.410909
  C       2.420782     -2.820078      3.245702
  Cl      2.284704     -4.625358      3.084353
  C      -3.022034     -1.244663      3.316758
  C      -3.038323      0.248983      2.982529
  C      -3.918284      0.529855      1.762298
  C      -3.478808     -0.314017      0.564737
  C      -3.430421     -1.805261      0.914713
  C      -7.252690     -4.374675      3.469714
  C      -7.774342     -5.458834      4.453288
  C      -6.889221     -5.749253      5.660890
  C      -7.415089     -6.862532      6.576425
  C      -8.620520     -6.415459      7.381868
  Cl     -9.196879     -7.717877      8.504332
  C      -7.311573     -2.989988      4.142333
  C      -6.989683     -1.843495      3.184873
  C      -7.917846     -1.826983      1.970612
  C      -7.943420     -3.197781      1.289659
  C      -8.277764     -4.292662      2.302445
  C      -2.424810     -5.310731      6.385953
  C      -3.586359     -5.496783      7.391414
  C      -3.333975     -5.123325      8.850900
  C      -4.591843     -5.311231      9.699083
  C      -4.431922     -4.942524     11.160561
  Cl     -3.258306     -6.032604     12.018889
  C      -1.244447     -6.242518      6.756925
  C       0.032678     -5.867220      6.007906
  C       0.552829     -4.490580      6.481267
  C      -0.562870     -3.674422      7.151168
  C      -1.885984     -3.845355      6.402777
  H      -0.812706     -2.316230      0.872779
  H      -0.964407     -0.766638      1.662542
  H      -0.237750     -3.346013      3.152089
  H      -0.208403     -1.722559      3.826861
  H       1.471354     -2.444234      1.365726
  H       1.639164     -1.033089      2.412017
  H       2.316138     -2.609317      4.317988
  H       3.439491     -2.574718      2.924619
  H      -4.043514     -1.545055      3.586474
  H      -2.406213     -1.445487      4.206345
  H      -2.017347      0.624164      2.797071
  H      -3.412837      0.806426      3.855888
  H      -3.899347      1.601232      1.507374
  H      -4.964395      0.280174      2.013144
  H      -2.487985      0.025434      0.218064
  H      -4.167633     -0.162465     -0.281972
  H      -3.068267     -2.376478      0.045550
  H      -4.451806     -2.163770      1.128345
  H      -8.776495     -5.135687      4.782077
  H      -7.932747     -6.400244      3.898173
  H      -6.731103     -4.832792      6.251170
  H      -5.886154     -6.038791      5.311156
  H      -6.620244     -7.167478      7.274861
  H      -7.680228     -7.751929      5.981906
  H      -9.480157     -6.166312      6.748985
  H      -8.380993     -5.553927      8.017980
  H      -6.634871     -2.964804      5.004404
  H      -8.339760     -2.870329      4.526077
  H      -7.038883     -0.881923      3.721180
  H      -5.950940     -1.958086      2.839572
  H      -7.606264     -1.045502      1.258543
  H      -8.942768     -1.571122      2.294374
  H      -6.955693     -3.399884      0.841044
  H      -8.677604     -3.206055      0.468487
  H      -8.402293     -5.269480      1.813542
  H      -9.255017     -4.067459      2.761910
  H      -4.418396     -4.888595      7.003972
  H      -3.910805     -6.552373      7.346346
  H      -2.523323     -5.730158      9.283042
  H      -3.012566     -4.070386      8.922672
  H      -4.949963     -6.351161      9.622933
  H      -5.402155     -4.673790      9.299964
  H      -4.037083     -3.926122     11.286611
  H      -5.374481     -5.036170     11.712216
  H      -1.512711     -7.295104      6.601035
  H      -1.065308     -6.147959      7.838550
  H      -0.181568     -5.831403      4.927438
  H       0.803256     -6.640226      6.144839
  H       1.396232     -4.615139      7.177998
  H       0.941535     -3.932816      5.616500
  H      -0.287690     -2.608093      7.174907
  H      -0.679180     -3.981687      8.202727
  H      -2.653537     -3.175136      6.812521
  H      -1.734884     -3.529487      5.358892
  N      -4.544483     -3.245254      5.164146
  H      -4.520021     -2.331933      5.631934
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265954633984
  N      -2.761618     -3.582430      2.502463
  C      -2.096837     -4.476000      1.543771
  C      -2.209145     -5.922857      1.988255
  N      -3.568799     -6.159957      2.488154
  C      -4.580891     -6.132726      1.427209
  C      -5.940158     -5.830683      2.019861
  N      -5.881830     -4.718548      2.971965
  Mo     -4.055348     -4.356580      3.853413
  N      -2.973693     -5.628445      5.024980
  C      -2.908006     -7.038254      4.662779
  C      -3.690964     -7.312043      3.387100
  H      -3.318221     -7.693442      5.457023
  H      -1.858333     -7.363755      4.520687
  H      -4.757597     -7.428565      3.619794
  H      -3.342396     -8.246216      2.904099
  H      -6.601454     -5.601833      1.167855
  H      -6.364204     -6.744800      2.483480
  H      -4.305509     -5.328450      0.732655
  H      -4.599062     -7.083550      0.860238
  H      -1.020427     -4.257086      1.448499
  H      -2.515996     -4.351146      0.526323
  H      -1.513617     -6.101266      2.817649
  H      -1.950036     -6.614090      1.163436
  C      -2.560466     -2.142556      2.157089
  C      -1.072743     -1.848949      1.838328
  C      -0.064390     -2.293801      2.896670
  C       1.375490     -2.103403      2.417470
  C       2.420224     -2.815396      3.254582
  Cl      2.291531     -4.620670      3.088172
  C      -3.021863     -1.243683      3.317063
  C      -3.036261      0.250230      2.982939
  C      -3.913561      0.532842      1.761105
  C      -3.474110     -0.312369      0.564454
  C      -3.428924     -1.803575      0.914811
  C      -7.254416     -4.375253      3.471437
  C      -7.776616     -5.459597      4.455285
  C      -6.885315     -5.752539      5.658041
  C      -7.405033     -6.865908      6.576234
  C      -8.616205     -6.427644      7.377500
  Cl     -9.166533     -7.723582      8.520050
  C      -7.312720     -2.991070      4.145148
  C      -6.992284     -1.843447      3.188320
  C      -7.920588     -1.826312      1.973788
  C      -7.945044     -3.197063      1.292365
  C      -8.280214     -4.291851      2.304665
  C      -2.426539     -5.311405      6.383771
  C      -3.589022     -5.492746      7.388550
  C      -3.335663     -5.116788      8.847469
  C      -4.591802     -5.306710      9.697978
  C      -4.432108     -4.927960     11.156911
  Cl     -3.250954     -6.005997     12.020188
  C      -1.248912     -6.246257      6.755754
  C       0.029410     -5.873017      6.007350
  C       0.555303     -4.501525      6.488707
  C      -0.561124     -3.678644      7.149057
  C      -1.882732     -3.847747      6.397515
  H      -0.811411     -2.317500      0.875284
  H      -0.962192     -0.768104      1.666264
  H      -0.236332     -3.350837      3.150690
  H      -0.212557     -1.729379      3.831366
  H       1.475112     -2.440118      1.372153
  H       1.634284     -1.029522      2.420656
  H       2.309452     -2.608525      4.327055
  H       3.439626     -2.564743      2.939828
  H      -4.043763     -1.543355      3.585650
  H      -2.405898     -1.444060      4.206605
  H      -2.014430      0.624273      2.799959
  H      -3.412002      0.807440      3.855903
  H      -3.891104      1.604190      1.506294
  H      -4.960787      0.285995      2.009755
  H      -2.482184      0.025125      0.219103
  H      -4.161363     -0.159507     -0.283297
  H      -3.067340     -2.375370      0.045784
  H      -4.450864     -2.160234      1.128628
  H      -8.775896     -5.134072      4.789902
  H      -7.939652     -6.399471      3.899006
  H      -6.722593     -4.836444      6.247302
  H      -5.885133     -6.044423      5.301605
  H      -6.609140     -7.159575      7.278480
  H      -7.658940     -7.760805      5.984967
  H      -9.482173     -6.202015      6.744423
  H      -8.388842     -5.552722      7.999861
  H      -6.633228     -2.967142      5.005245
  H      -8.339741     -2.871634      4.531478
  H      -7.043427     -0.882711      3.726055
  H      -5.953668     -1.955661      2.842556
  H      -7.608679     -1.044603      1.262113
  H      -8.945553     -1.570584      2.297423
  H      -6.955461     -3.398504      0.847497
  H      -8.676905     -3.205995      0.469222
  H      -8.406731     -5.268039      1.815083
  H      -9.256544     -4.065513      2.765768
  H      -4.419724     -4.883482      7.000192
  H      -3.915891     -6.547790      7.345827
  H      -2.523048     -5.720947      9.279488
  H      -3.016805     -4.062916      8.916964
  H      -4.943294     -6.349335      9.628509
  H      -5.406189     -4.676566      9.295672
  H      -4.042745     -3.908662     11.276238
  H      -5.373459     -5.023432     11.710339
  H      -1.519855     -7.298261      6.600938
  H      -1.069130     -6.151199      7.837228
  H      -0.185820     -5.829178      4.927342
  H       0.797221     -6.649685      6.138807
  H       1.389146     -4.635117      7.195313
  H       0.959499     -3.946139      5.629617
  H      -0.283058     -2.612932      7.168382
  H      -0.683418     -3.979859      8.201662
  H      -2.648475     -3.174287      6.805625
  H      -1.729641     -3.534534      5.353242
  N      -4.544605     -3.244809      5.164083
  H      -4.516228     -2.321905      5.612979
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.265989867931
  N      -2.763517     -3.583282      2.502241
  C      -2.101138     -4.477072      1.542314
  C      -2.214383     -5.924296      1.984228
  N      -3.573694     -6.161856      2.484984
  C      -4.587206     -6.135063      1.425927
  C      -5.945309     -5.830868      2.020650
  N      -5.884422     -4.718235      2.971962
  Mo     -4.057382     -4.357593      3.852794
  N      -2.978531     -5.629789      5.023243
  C      -2.911491     -7.039525      4.660007
  C      -3.694308     -7.313930      3.384410
  H      -3.321188     -7.694819      5.454286
  H      -1.861444     -7.363598      4.518034
  H      -4.761005     -7.432003      3.616448
  H      -3.344422     -8.247973      2.901997
  H      -6.607734     -5.600815      1.169911
  H      -6.370500     -6.743959      2.485293
  H      -4.312461     -5.332027      0.729439
  H      -4.607165     -7.086869      0.860674
  H      -1.024875     -4.258311      1.445479
  H      -2.521489     -4.350741      0.525318
  H      -1.518343     -6.106151      2.812539
  H      -1.956817     -6.613174      1.156912
  C      -2.560602     -2.143667      2.157702
  C      -1.071558     -1.851080      1.840731
  C      -0.065273     -2.298793      2.899898
  C       1.375527     -2.102862      2.425944
  C       2.419033     -2.811181      3.267671
  Cl      2.298916     -4.616765      3.098924
  C      -3.022370     -1.242373      3.315499
  C      -3.034726      0.251318      2.979204
  C      -3.910091      0.533681      1.755875
  C      -3.470304     -0.314099      0.561174
  C      -3.426866     -1.804853      0.913642
  C      -7.256263     -4.373391      3.473313
  C      -7.778752     -5.457163      4.458278
  C      -6.881033     -5.750981      5.656480
  C      -7.391577     -6.865244      6.577881
  C      -8.612027     -6.438758      7.371160
  Cl     -9.137278     -7.728216      8.532674
  C      -7.313288     -2.989413      4.147223
  C      -6.993614     -1.840932      3.190734
  C      -7.922203     -1.823503      1.975916
  C      -7.946323     -3.194509      1.294754
  C      -8.282736     -4.288776      2.306836
  C      -2.428247     -5.312707      6.381284
  C      -3.589389     -5.492916      7.387391
  C      -3.335431     -5.114682      8.845781
  C      -4.588738     -5.310741      9.699019
  C      -4.429391     -4.921864     11.155463
  Cl     -3.236297     -5.983495     12.022794
  C      -1.250463     -6.248627      6.751270
  C       0.027357     -5.871062      6.003813
  C       0.556051     -4.505915      6.498364
  C      -0.563896     -3.679898      7.149427
  C      -1.882300     -3.849876      6.392410
  H      -0.809952     -2.319856      0.877827
  H      -0.958908     -0.770433      1.669502
  H      -0.234364     -3.357758      3.147726
  H      -0.218690     -1.740126      3.837194
  H       1.480233     -2.439145      1.381007
  H       1.629799     -1.027830      2.430319
  H       2.301340     -2.605511      4.339729
  H       3.439440     -2.556078      2.959678
  H      -4.044858     -1.540765      3.583145
  H      -2.407043     -1.441492      4.205744
  H      -2.012125      0.623751      2.797256
  H      -3.410805      0.809570      3.851357
  H      -3.884854      1.604646      1.499527
  H      -4.958188      0.289353      2.003305
  H      -2.477325      0.021593      0.216753
  H      -4.155709     -0.161633     -0.288167
  H      -3.064615     -2.377456      0.045389
  H      -4.449159     -2.160960      1.126810
  H      -8.775653     -5.129706      4.797529
  H      -7.945959     -6.395893      3.901130
  H      -6.716021     -4.834691      6.244742
  H      -5.882850     -6.041092      5.292605
  H      -6.594907     -7.143463      7.285674
  H      -7.630241     -7.767174      5.990750
  H      -9.482258     -6.239170      6.735221
  H      -8.401549     -5.550079      7.980177
  H      -6.631900     -2.966586      5.006063
  H      -8.339448     -2.869039      4.535195
  H      -7.046521     -0.880800      3.729534
  H      -5.954856     -1.950875      2.845037
  H      -7.610320     -1.041893      1.264118
  H      -8.946852     -1.567301      2.300274
  H      -6.955591     -3.395579      0.852147
  H      -8.676509     -3.204223      0.470072
  H      -8.411167     -5.264568      1.816912
  H      -9.258398     -4.061140      2.768938
  H      -4.421091     -4.884938      6.999429
  H      -3.915536     -6.548475      7.347197
  H      -2.518428     -5.713951      9.276429
  H      -3.022082     -4.058992      8.914029
  H      -4.931528     -6.356682      9.636205
  H      -5.409043     -4.689528      9.294741
  H      -4.049114     -3.898341     11.267764
  H      -5.368703     -5.022514     11.711507
  H      -1.520867     -7.300329      6.594063
  H      -1.070312     -6.156149      7.833026
  H      -0.190998     -5.815072      4.924799
  H       0.794782     -6.649804      6.124815
  H       1.378775     -4.649880      7.216135
  H       0.977440     -3.950012      5.648038
  H      -0.285700     -2.614092      7.167428
  H      -0.692122     -3.977355      8.202335
  H      -2.648665     -3.174404      6.796298
  H      -1.725776     -3.539812      5.347791
  N      -4.545573     -3.242830      5.162654
  H      -4.515595     -2.310437      5.592049
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266011192934
  N      -2.764183     -3.584192      2.500075
  C      -2.104510     -4.477942      1.538495
  C      -2.217719     -5.925293      1.979183
  N      -3.576465     -6.163279      2.481663
  C      -4.591808     -6.135593      1.424685
  C      -5.948530     -5.830441      2.021954
  N      -5.885193     -4.717229      2.972668
  Mo     -4.057250     -4.358221      3.851434
  N      -2.979729     -5.631313      5.021117
  C      -2.911637     -7.040750      4.656284
  C      -3.695170     -7.315603      3.381202
  H      -3.320355     -7.696606      5.450575
  H      -1.861469     -7.363632      4.513069
  H      -4.761739     -7.435402      3.613205
  H      -3.344470     -8.249471      2.899002
  H      -6.612565     -5.599797      1.172698
  H      -6.373528     -6.742785      2.488064
  H      -4.317966     -5.332937      0.727315
  H      -4.613784     -7.087436      0.859442
  H      -1.028351     -4.259398      1.439249
  H      -2.526929     -4.350355      0.522468
  H      -1.520691     -6.108637      2.806384
  H      -1.961633     -6.613229      1.150626
  C      -2.560767     -2.144523      2.156107
  C      -1.071106     -1.852808      1.838606
  C      -0.065528     -2.301085      2.897895
  C       1.375744     -2.101697      2.427043
  C       2.419413     -2.801858      3.275221
  Cl      2.307713     -4.608717      3.114900
  C      -3.021030     -1.242290      3.313486
  C      -3.031920      0.251353      2.976521
  C      -3.908256      0.534256      1.754048
  C      -3.469998     -0.314310      0.559405
  C      -3.426894     -1.805051      0.912039
  C      -7.256408     -4.372111      3.476727
  C      -7.777916     -5.455900      4.462548
  C      -6.875763     -5.752231      5.656915
  C      -7.381592     -6.866498      6.580351
  C      -8.607242     -6.445140      7.368384
  Cl     -9.121300     -7.729591      8.540611
  C      -7.312637     -2.988340      4.150683
  C      -6.994152     -1.839148      3.194446
  C      -7.923855     -1.821724      1.980261
  C      -7.948362     -3.192765      1.299314
  C      -8.284395     -4.286938      2.311422
  C      -2.428283     -5.315086      6.379026
  C      -3.589901     -5.493462      7.384684
  C      -3.338340     -5.112253      8.842769
  C      -4.591262     -5.311329      9.695604
  C      -4.434982     -4.914104     11.150249
  Cl     -3.235250     -5.963122     12.023854
  C      -1.251576     -6.252825      6.749122
  C       0.026827     -5.871865      6.004562
  C       0.558059     -4.513463      6.512799
  C      -0.565604     -3.684214      7.154466
  C      -1.879540     -3.853509      6.389444
  H      -0.810367     -2.322918      0.876000
  H      -0.957124     -0.772566      1.666265
  H      -0.231553     -3.361366      3.142296
  H      -0.222599     -1.746474      3.837038
  H       1.484148     -2.442249      1.383881
  H       1.625892     -1.025588      2.427370
  H       2.297614     -2.590611      4.345783
  H       3.439974     -2.544529      2.969495
  H      -4.043803     -1.539391      3.581557
  H      -2.405680     -1.441823      4.203681
  H      -2.009059      0.622342      2.793191
  H      -3.406047      0.810089      3.849203
  H      -3.881998      1.605084      1.497129
  H      -4.956380      0.291169      2.002622
  H      -2.476781      0.020457      0.214415
  H      -4.155264     -0.161732     -0.290040
  H      -3.064856     -2.377182      0.043408
  H      -4.449195     -2.161451      1.124957
  H      -8.773069     -5.126874      4.805215
  H      -7.949072     -6.393446      3.904408
  H      -6.707326     -4.836403      6.245013
  H      -5.879488     -6.041361      5.287028
  H      -6.584775     -7.136235      7.291208
  H      -7.612632     -7.772286      5.996007
  H      -9.478821     -6.259465      6.730157
  H      -8.406129     -5.549104      7.969922
  H      -6.630600     -2.965747      5.009069
  H      -8.338505     -2.867456      4.539322
  H      -7.047763     -0.879397      3.733922
  H      -5.955352     -1.947468      2.848349
  H      -7.613169     -1.039955      1.268124
  H      -8.947943     -1.565467      2.306481
  H      -6.957876     -3.393435      0.855892
  H      -8.678802     -3.202904      0.474758
  H      -8.413945     -5.262577      1.821458
  H      -9.259521     -4.059045      2.774595
  H      -4.421737     -4.886768      6.994984
  H      -3.915437     -6.549384      7.346726
  H      -2.519008     -5.707739      9.274427
  H      -3.028808     -4.055297      8.910014
  H      -4.929070     -6.359153      9.637908
  H      -5.414501     -4.696028      9.288094
  H      -4.061472     -3.887510     11.257258
  H      -5.373841     -5.017937     11.706511
  H      -1.521719     -7.304006      6.588654
  H      -1.073442     -6.163193      7.831572
  H      -0.193514     -5.804207      4.926424
  H       0.793277     -6.653003      6.116009
  H       1.369568     -4.667858      7.241269
  H       0.996368     -3.956584      5.671760
  H      -0.286362     -2.618663      7.173634
  H      -0.700959     -3.979828      8.206948
  H      -2.647337     -3.175530      6.786441
  H      -1.716418     -3.546715      5.344869
  N      -4.543409     -3.241047      5.160596
  H      -4.512440     -2.302586      5.576926
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266025988078
  N      -2.765068     -3.585859      2.497228
  C      -2.108021     -4.479970      1.534292
  C      -2.221033     -5.927307      1.974972
  N      -3.579249     -6.165249      2.479115
  C      -4.596185     -6.136250      1.423840
  C      -5.951683     -5.830621      2.023318
  N      -5.886312     -4.716511      2.973126
  Mo     -4.057731     -4.358907      3.849614
  N      -2.980800     -5.632843      5.019106
  C      -2.911923     -7.041997      4.653125
  C      -3.696481     -7.317579      3.378775
  H      -3.319420     -7.698354      5.447612
  H      -1.861750     -7.363996      4.508239
  H      -4.762833     -7.438885      3.611191
  H      -3.345314     -8.251394      2.896804
  H      -6.617171     -5.600217      1.175207
  H      -6.375813     -6.742347      2.491249
  H      -4.323024     -5.333656      0.726154
  H      -4.620166     -7.087710      0.857859
  H      -1.031878     -4.262240      1.432646
  H      -2.532513     -4.351733      0.519259
  H      -1.522958     -6.110785      2.801322
  H      -1.966118     -6.615485      1.146263
  C      -2.560932     -2.146149      2.153451
  C      -1.070518     -1.854635      1.837920
  C      -0.066889     -2.305510      2.897595
  C       1.375402     -2.100682      2.432519
  C       2.418685     -2.792859      3.287533
  Cl      2.318255     -4.600765      3.132122
  C      -3.022172     -1.243672      3.309963
  C      -3.031496      0.249928      2.972924
  C      -3.907055      0.533196      1.750061
  C      -3.467996     -0.315440      0.555841
  C      -3.425278     -1.806255      0.908301
  C      -7.256771     -4.370420      3.478824
  C      -7.777184     -5.453084      4.466398
  C      -6.872051     -5.750134      5.658306
  C      -7.375581     -6.862427      6.585114
  C      -8.603424     -6.440917      7.369836
  Cl     -9.114136     -7.720226      8.549365
  C      -7.311563     -2.986230      4.151792
  C      -6.993359     -1.837503      3.194860
  C      -7.924277     -1.820561      1.981612
  C      -7.950640     -3.191963      1.301743
  C      -8.286279     -4.285409      2.314847
  C      -2.427628     -5.317168      6.376265
  C      -3.587878     -5.497037      7.383232
  C      -3.337926     -5.113919      8.840967
  C      -4.589662     -5.319413      9.693754
  C      -4.436729     -4.916801     11.147356
  Cl     -3.228648     -5.953216     12.024517
  C      -1.249639     -6.254516      6.744305
  C       0.027601     -5.866514      6.001632
  C       0.558918     -4.514595      6.524778
  C      -0.569458     -3.684902      7.158911
  C      -1.879025     -3.855728      6.386656
  H      -0.809216     -2.323456      0.874759
  H      -0.955360     -0.774284      1.667148
  H      -0.229865     -3.367712      3.135830
  H      -0.228623     -1.757339      3.839788
  H       1.489455     -2.443830      1.390807
  H       1.620657     -1.023371      2.430742
  H       2.290896     -2.578104      4.356728
  H       3.439301     -2.531336      2.985536
  H      -4.045809     -1.539644      3.576116
  H      -2.408978     -1.444159      4.201459
  H      -2.008274      0.620039      2.789860
  H      -3.405407      0.808929      3.845537
  H      -3.880470      1.603968      1.492926
  H      -4.955353      0.290303      1.998273
  H      -2.474254      0.019011      0.211824
  H      -4.152150     -0.162893     -0.294507
  H      -3.062021     -2.377912      0.039890
  H      -4.447924     -2.163085      1.119202
  H      -8.771087     -5.122070      4.810859
  H      -7.951759     -6.390610      3.909086
  H      -6.700589     -4.833911      6.245041
  H      -5.877367     -6.039491      5.284418
  H      -6.578546     -7.127016      7.297651
  H      -7.604030     -7.771116      6.004236
  H      -9.475060     -6.262415      6.729724
  H      -8.406536     -5.540638      7.966459
  H      -6.629889     -2.963172      5.010403
  H      -8.337491     -2.864202      4.540189
  H      -7.046600     -0.877494      3.733927
  H      -5.954570     -1.945758      2.848393
  H      -7.614295     -1.039387      1.268522
  H      -8.947644     -1.563351      2.309445
  H      -6.961265     -3.393518      0.856233
  H      -8.682338     -3.202064      0.478214
  H      -8.416896     -5.261380      1.825769
  H      -9.260905     -4.056835      2.778664
  H      -4.421485     -4.892857      6.993505
  H      -3.910511     -6.553926      7.346528
  H      -2.514876     -5.704519      9.272463
  H      -3.034255     -4.055226      8.908136
  H      -4.921220     -6.369405      9.639178
  H      -5.416840     -4.710394      9.284604
  H      -4.071656     -3.886825     11.251120
  H      -5.374738     -5.026624     11.703906
  H      -1.517273     -7.305567      6.579380
  H      -1.073028     -6.168614      7.827408
  H      -0.196160     -5.786408      4.924863
  H       0.794818     -6.648488      6.101535
  H       1.360102     -4.678635      7.262600
  H       1.011779     -3.954807      5.693383
  H      -0.291199     -2.619153      7.180161
  H      -0.710279     -3.980291      8.210689
  H      -2.649566     -3.176913      6.776658
  H      -1.709709     -3.551838      5.342151
  N      -4.542737     -3.239822      5.158112
  H      -4.512027     -2.297253      5.565423
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266035436653
  N      -2.765433     -3.587454      2.494043
  C      -2.110885     -4.481453      1.529331
  C      -2.222926     -5.928846      1.970431
  N      -3.580258     -6.166950      2.476818
  C      -4.598903     -6.137046      1.423169
  C      -5.953353     -5.831557      2.024761
  N      -5.886667     -4.716606      2.973757
  Mo     -4.057290     -4.359906      3.847647
  N      -2.980126     -5.634431      5.016972
  C      -2.909909     -7.043154      4.649810
  C      -3.695647     -7.319412      3.376250
  H      -3.315587     -7.700518      5.444401
  H      -1.859557     -7.363746      4.503074
  H      -4.761585     -7.442274      3.609673
  H      -3.343976     -8.252831      2.893889
  H      -6.620335     -5.602180      1.177595
  H      -6.375954     -6.742997      2.494510
  H      -4.326572     -5.334277      0.725458
  H      -4.624394     -7.087987      0.856265
  H      -1.034802     -4.264202      1.425261
  H      -2.537737     -4.352939      0.515452
  H      -1.523378     -6.111698      2.795667
  H      -1.969125     -6.617650      1.141903
  C      -2.560487     -2.147759      2.150699
  C      -1.069937     -1.857252      1.835327
  C      -0.066744     -2.308993      2.894724
  C       1.375621     -2.098645      2.432807
  C       2.420503     -2.780054      3.294398
  Cl      2.332372     -4.589317      3.148360
  C      -3.021181     -1.246314      3.308144
  C      -3.029484      0.247584      2.972913
  C      -3.905602      0.532369      1.750851
  C      -3.467111     -0.314952      0.555533
  C      -3.424859     -1.806231      0.906170
  C      -7.256605     -4.369807      3.480338
  C      -7.775912     -5.450796      4.470121
  C      -6.869451     -5.747703      5.660880
  C      -7.374389     -6.856182      6.591514
  C      -8.598605     -6.427677      7.378251
  Cl     -9.113628     -7.702770      8.560624
  C      -7.310239     -2.984554      4.151296
  C      -6.992056     -1.837549      3.192399
  C      -7.924572     -1.821934      1.980558
  C      -7.953253     -3.194115      1.302626
  C      -8.287605     -4.286239      2.317760
  C      -2.426919     -5.319431      6.374053
  C      -3.587000     -5.501380      7.380989
  C      -3.339694     -5.117110      8.838747
  C      -4.591382     -5.328463      9.690045
  C      -4.443018     -4.923627     11.143490
  Cl     -3.229769     -5.951593     12.023412
  C      -1.247758     -6.255854      6.741236
  C       0.028631     -5.862051      6.000353
  C       0.559001     -4.514807      6.535025
  C      -0.573360     -3.685362      7.163410
  C      -1.879422     -3.857715      6.385527
  H      -0.808865     -2.325226      0.871656
  H      -0.954271     -0.776819      1.665276
  H      -0.226672     -3.372539      3.129097
  H      -0.231208     -1.765061      3.838951
  H       1.494179     -2.446543      1.393167
  H       1.615125     -1.020040      2.426121
  H       2.288286     -2.559950      4.361943
  H       3.440218     -2.513854      2.993504
  H      -4.045390     -1.541446      3.573114
  H      -2.409135     -1.448918      4.199957
  H      -2.006204      0.617291      2.789475
  H      -3.402471      0.806028      3.846267
  H      -3.879371      1.603369      1.494732
  H      -4.953716      0.289082      1.999565
  H      -2.473373      0.019546      0.211620
  H      -4.151497     -0.161388     -0.294425
  H      -3.061933     -2.376996      0.037063
  H      -4.447761     -2.162902      1.116353
  H      -8.768924     -5.117699      4.815345
  H      -7.953149     -6.389047      3.914835
  H      -6.694432     -4.830725      6.245403
  H      -5.876225     -6.039953      5.285507
  H      -6.576423     -7.122145      7.302441
  H      -7.608380     -7.765341      6.013661
  H      -9.470326     -6.246254      6.739118
  H      -8.396893     -5.527647      7.973522
  H      -6.629313     -2.960098      5.010350
  H      -8.336372     -2.861452      4.539055
  H      -7.043690     -0.876582      3.729865
  H      -5.953661     -1.947335      2.844977
  H      -7.615334     -1.041913      1.265900
  H      -8.947248     -1.563649      2.309688
  H      -6.965459     -3.397162      0.854357
  H      -8.687032     -3.204429      0.480937
  H      -8.418801     -5.262989      1.830421
  H      -9.261761     -4.057047      2.782133
  H      -4.421862     -4.899388      6.990609
  H      -3.906788     -6.559083      7.344306
  H      -2.514156     -5.703741      9.270945
  H      -3.041183     -4.057008      8.906371
  H      -4.917876     -6.380061      9.636172
  H      -5.421152     -4.724056      9.279238
  H      -4.084646     -3.891240     11.246670
  H      -5.381046     -5.038919     11.698861
  H      -1.512993     -7.306934      6.573057
  H      -1.072921     -6.172287      7.824815
  H      -0.197397     -5.772793      4.924698
  H       0.796734     -6.644208      6.091755
  H       1.352192     -4.685837      7.279837
  H       1.022299     -3.952310      5.711155
  H      -0.296178     -2.619439      7.186197
  H      -0.718318     -3.980931      8.214533
  H      -2.652659     -3.179043      6.770134
  H      -1.704948     -3.555381      5.341328
  N      -4.541406     -3.240045      5.155883
  H      -4.509795     -2.295350      5.558337
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266043097675
  N      -2.766487     -3.589022      2.490413
  C      -2.113763     -4.483032      1.524418
  C      -2.224903     -5.930457      1.966125
  N      -3.581320     -6.168549      2.474598
  C      -4.601606     -6.138400      1.422453
  C      -5.955184     -5.833287      2.026025
  N      -5.887656     -4.717393      2.973953
  Mo     -4.057484     -4.360916      3.845398
  N      -2.979248     -5.635697      5.014358
  C      -2.907774     -7.044033      4.646404
  C      -3.695115     -7.320901      3.373965
  H      -3.311148     -7.702451      5.441280
  H      -1.857196     -7.363143      4.497685
  H      -4.760560     -7.444560      3.609098
  H      -3.343457     -8.254040      2.891039
  H      -6.623631     -5.605577      1.179600
  H      -6.376053     -6.744592      2.497602
  H      -4.330290     -5.335388      0.724698
  H      -4.628106     -7.088977      0.854938
  H      -1.037802     -4.266092      1.418497
  H      -2.542479     -4.354780      0.511395
  H      -1.523983     -6.112553      2.790356
  H      -1.972063     -6.619955      1.137866
  C      -2.560128     -2.149387      2.147477
  C      -1.069174     -1.859403      1.834960
  C      -0.067700     -2.313144      2.894975
  C       1.375035     -2.094973      2.438359
  C       2.421023     -2.767281      3.305785
  Cl      2.347115     -4.577349      3.162988
  C      -3.022656     -1.248844      3.304929
  C      -3.029685      0.245326      2.971318
  C      -3.903738      0.531338      1.748066
  C      -3.463462     -0.314926      0.552680
  C      -3.422545     -1.806553      0.902064
  C      -7.257063     -4.369394      3.480685
  C      -7.775451     -5.447987      4.473338
  C      -6.867827     -5.743066      5.663508
  C      -7.375350     -6.845635      6.599933
  C      -8.591421     -6.405664      7.392977
  Cl     -9.112836     -7.676001      8.577701
  C      -7.309329     -2.982599      4.148875
  C      -6.990964     -1.838228      3.187055
  C      -7.925196     -1.824428      1.976712
  C      -7.956601     -3.197834      1.301460
  C      -8.289448     -4.287958      2.319414
  C      -2.426180     -5.321420      6.371531
  C      -3.585704     -5.506890      7.378611
  C      -3.340103     -5.123245      8.836705
  C      -4.591117     -5.342496      9.687080
  C      -4.446669     -4.938232     11.141018
  Cl     -3.227599     -5.959354     12.020799
  C      -1.245142     -6.256224      6.737127
  C       0.030131     -5.856439      5.997499
  C       0.558568     -4.512572      6.541733
  C      -0.577337     -3.684732      7.166493
  C      -1.880862     -3.858963      6.384764
  H      -0.806540     -2.324869      0.870540
  H      -0.953199     -0.778506      1.667619
  H      -0.224720     -3.378357      3.123725
  H      -0.236252     -1.774400      3.841481
  H       1.499873     -2.444626      1.400022
  H       1.607694     -1.014899      2.429960
  H       2.282365     -2.546098      4.372263
  H       3.439867     -2.493933      3.008448
  H      -4.047811     -1.543461      3.566827
  H      -2.413073     -1.453030      4.198032
  H      -2.006027      0.614976      2.789884
  H      -3.404061      0.803286      3.844376
  H      -3.877370      1.602548      1.492954
  H      -4.952199      0.287649      1.994959
  H      -2.469147      0.019591      0.210643
  H      -4.146682     -0.160425     -0.298032
  H      -3.058731     -2.376997      0.033144
  H      -4.446061     -2.162550      1.110379
  H      -8.767657     -5.112868      4.819107
  H      -7.954642     -6.387647      3.921121
  H      -6.688569     -4.824404      6.244030
  H      -5.876302     -6.040510      5.287797
  H      -6.575201     -7.115921      7.306767
  H      -7.620035     -7.754441      6.026053
  H      -9.464264     -6.216152      6.757724
  H      -8.378700     -5.507868      7.987652
  H      -6.628729     -2.956408      5.008036
  H      -8.335447     -2.858197      4.536394
  H      -7.040453     -0.875867      3.722174
  H      -5.953228     -1.950460      2.838332
  H      -7.616214     -1.046201      1.259992
  H      -8.947216     -1.564568      2.306571
  H      -6.970424     -3.402912      0.850630
  H      -8.692710     -3.208633      0.481894
  H      -8.421310     -5.265756      1.834404
  H      -9.263001     -4.057734      2.784446
  H      -4.422058     -4.906720      6.988758
  H      -3.902555     -6.565378      7.340619
  H      -2.511690     -5.706083      9.268492
  H      -3.047347     -4.061678      8.905684
  H      -4.911513     -6.395901      9.631974
  H      -5.424084     -4.742692      9.275979
  H      -4.095158     -3.903636     11.245596
  H      -5.384392     -5.060344     11.695413
  H      -1.507718     -7.307457      6.566032
  H      -1.071277     -6.174735      7.820997
  H      -0.197647     -5.759816      4.922822
  H       0.799608     -6.638015      6.082057
  H       1.345764     -4.688820      7.291612
  H       1.028894     -3.947046      5.723882
  H      -0.301885     -2.618457      7.190396
  H      -0.724955     -3.980995      8.217017
  H      -2.656566     -3.181458      6.766167
  H      -1.702950     -3.556935      5.340981
  N      -4.541162     -3.241253      5.154054
  H      -4.508310     -2.295872      5.554904
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266048544120
  N      -2.767590     -3.590304      2.486578
  C      -2.116484     -4.483979      1.519143
  C      -2.226472     -5.931522      1.961017
  N      -3.581802     -6.169949      2.471824
  C      -4.603921     -6.140447      1.421364
  C      -5.956680     -5.835749      2.026994
  N      -5.888547     -4.718626      2.973432
  Mo     -4.057542     -4.362137      3.842662
  N      -2.978196     -5.636677      5.011417
  C      -2.904465     -7.044550      4.642431
  C      -3.693507     -7.322200      3.371293
  H      -3.304903     -7.704452      5.437516
  H      -1.853379     -7.361308      4.491773
  H      -4.758392     -7.446549      3.608499
  H      -3.341820     -8.255009      2.887721
  H      -6.626745     -5.610141      1.181300
  H      -6.375814     -6.746841      2.500614
  H      -4.334016     -5.337306      0.723208
  H      -4.630984     -7.091011      0.853876
  H      -1.040758     -4.266729      1.411484
  H      -2.547041     -4.355944      0.506918
  H      -1.524083     -6.113249      2.784071
  H      -1.974693     -6.621194      1.132560
  C      -2.559433     -2.150747      2.144671
  C      -1.068042     -1.861912      1.834439
  C      -0.067920     -2.317244      2.895078
  C       1.374835     -2.091364      2.442797
  C       2.422315     -2.754434      3.315631
  Cl      2.362165     -4.565206      3.176620
  C      -3.023074     -1.250984      3.302459
  C      -3.028907      0.243538      2.970563
  C      -3.901076      0.531089      1.746276
  C      -3.459579     -0.314228      0.550651
  C      -3.420303     -1.806211      0.898723
  C      -7.257461     -4.369411      3.480385
  C      -7.774605     -5.445050      4.476797
  C      -6.864958     -5.737072      5.666108
  C      -7.375139     -6.831473      6.610819
  C      -8.578182     -6.375714      7.414653
  Cl     -9.106081     -7.639603      8.603357
  C      -7.308577     -2.980545      4.144733
  C      -6.990828     -1.839563      3.178792
  C      -7.927443     -1.828667      1.970365
  C      -7.961065     -3.203886      1.298798
  C      -8.291444     -4.291341      2.320464
  C      -2.426385     -5.323337      6.369361
  C      -3.586146     -5.513557      7.375350
  C      -3.343240     -5.132013      8.834407
  C      -4.593767     -5.361167      9.683114
  C      -4.454083     -4.959121     11.138052
  Cl     -3.228987     -5.973788     12.016895
  C      -1.243190     -6.255987      6.733732
  C       0.031302     -5.850418      5.995725
  C       0.556580     -4.508354      6.547209
  C      -0.582719     -3.683448      7.169988
  C      -1.884308     -3.859735      6.385494
  H      -0.804171     -2.325626      0.869544
  H      -0.951546     -0.780697      1.669217
  H      -0.222159     -3.383867      3.118976
  H      -0.240268     -1.782752      3.843329
  H       1.505506     -2.442946      1.405823
  H       1.600331     -1.009813      2.432325
  H       2.277637     -2.532301      4.381092
  H       3.440136     -2.473869      3.021580
  H      -4.048936     -1.545203      3.561956
  H      -2.415028     -1.456521      4.196258
  H      -2.004870      0.613071      2.791056
  H      -3.404475      0.800919      3.843472
  H      -3.874121      1.602545      1.492319
  H      -4.949960      0.287415      1.991389
  H      -2.464709      0.020089      0.210226
  H      -4.141857     -0.158487     -0.300579
  H      -3.056197     -2.376378      0.029757
  H      -4.444388     -2.161187      1.105956
  H      -8.765819     -5.108113      4.823724
  H      -7.955471     -6.386418      3.928154
  H      -6.679914     -4.815869      6.240636
  H      -5.875787     -6.041697      5.289966
  H      -6.571148     -7.108243      7.310764
  H      -7.635479     -7.739354      6.042441
  H      -9.453766     -6.174202      6.786847
  H      -8.348357     -5.481348      8.008064
  H      -6.627262     -2.951944      5.003224
  H      -8.334289     -2.854852      4.532904
  H      -7.037895     -0.875390      3.710825
  H      -5.954117     -1.954519      2.827996
  H      -7.619271     -1.052658      1.250895
  H      -8.948808     -1.567454      2.301106
  H      -6.976372     -3.410673      0.845555
  H      -8.699720     -3.216329      0.481592
  H      -8.423740     -5.270517      1.838402
  H      -9.264277     -4.060142      2.786503
  H      -4.423830     -4.915024      6.986001
  H      -3.899964     -6.572827      7.334822
  H      -2.511883     -5.711019      9.265596
  H      -3.057030     -4.068872      8.905899
  H      -4.906646     -6.416669      9.625275
  H      -5.430327     -4.766461      9.271899
  H      -4.110045     -3.922326     11.245560
  H      -5.391661     -5.089213     11.690861
  H      -1.502870     -7.307494      6.560174
  H      -1.070222     -6.176115      7.817826
  H      -0.196970     -5.748702      4.921632
  H       0.802569     -6.630667      6.076014
  H       1.339717     -4.687701      7.300553
  H       1.030869     -3.939667      5.733840
  H      -0.309670     -2.616617      7.194929
  H      -0.732012     -3.980872      8.219917
  H      -2.662450     -3.184570      6.765928
  H      -1.704542     -3.556274      5.342404
  N      -4.540746     -3.242635      5.151648
  H      -4.504044     -2.296407      5.550297
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266054044084
  N      -2.769517     -3.591374      2.480674
  C      -2.120288     -4.484509      1.511480
  C      -2.228559     -5.932220      1.953144
  N      -3.582378     -6.171334      2.467271
  C      -4.607383     -6.143253      1.419523
  C      -5.958848     -5.839337      2.028568
  N      -5.889527     -4.720236      2.972457
  Mo     -4.057201     -4.363578      3.838699
  N      -2.975619     -5.637813      5.006623
  C      -2.898771     -7.044999      4.635828
  C      -3.690896     -7.323486      3.367068
  H      -3.294725     -7.707120      5.431240
  H      -1.847031     -7.358357      4.481973
  H      -4.754956     -7.448247      3.607736
  H      -3.339830     -8.256037      2.882506
  H      -6.631618     -5.616807      1.184216
  H      -6.375421     -6.750070      2.505283
  H      -4.340106     -5.339952      0.720470
  H      -4.634978     -7.094068      0.852533
  H      -1.045050     -4.266252      1.401286
  H      -2.553432     -4.356839      0.500313
  H      -1.524111     -6.113972      2.774446
  H      -1.978472     -6.621571      1.123889
  C      -2.559346     -2.151835      2.140009
  C      -1.066998     -1.863628      1.834634
  C      -0.069889     -2.321525      2.897103
  C       1.373388     -2.084820      2.452637
  C       2.421432     -2.737843      3.332479
  Cl      2.378506     -4.549097      3.195022
  C      -3.026309     -1.252197      3.296733
  C      -3.030784      0.242521      2.965572
  C      -3.898795      0.530917      1.738476
  C      -3.453834     -0.314186      0.543976
  C      -3.416533     -1.806276      0.891762
  C      -7.257498     -4.368887      3.480379
  C      -7.772399     -5.439733      4.483111
  C      -6.858696     -5.726122      5.670656
  C      -7.371266     -6.806846      6.629807
  C      -8.555130     -6.327624      7.448174
  Cl     -9.089126     -7.578763      8.647543
  C      -7.306764     -2.976720      4.138283
  C      -6.991102     -1.840920      3.165660
  C      -7.931586     -1.835151      1.960208
  C      -7.967820     -3.213492      1.294957
  C      -8.294257     -4.296392      2.322652
  C      -2.426167     -5.326778      6.366252
  C      -3.586855     -5.524414      7.369678
  C      -3.348844     -5.147365      8.830694
  C      -4.598640     -5.392880      9.676241
  C      -4.466879     -4.994062     11.132716
  Cl     -3.232013     -5.997583     12.010668
  C      -1.240342     -6.256973      6.728772
  C       0.033664     -5.843338      5.994189
  C       0.554415     -4.503977      6.556235
  C      -0.589609     -3.683709      7.176814
  C      -1.888315     -3.861788      6.387895
  H      -0.800264     -2.324893      0.869386
  H      -0.949742     -0.781968      1.672650
  H      -0.220277     -3.390226      3.113424
  H      -0.249151     -1.793584      3.847756
  H       1.512904     -2.436703      1.416923
  H       1.589476     -1.001362      2.441987
  H       2.267746     -2.516460      4.396832
  H       3.438384     -2.447767      3.044720
  H      -4.053123     -1.546272      3.552475
  H      -2.420830     -1.457993      4.192171
  H      -2.006091      0.612035      2.789794
  H      -3.409304      0.799631      3.837372
  H      -3.870615      1.602492      1.485168
  H      -4.948590      0.287506      1.979861
  H      -2.457806      0.019835      0.206772
  H      -4.133576     -0.157768     -0.309154
  H      -3.050566     -2.376490      0.023642
  H      -4.441379     -2.160384      1.096604
  H      -8.762085     -5.100562      4.832248
  H      -7.955406     -6.383698      3.939764
  H      -6.664277     -4.800427      6.234630
  H      -5.873482     -6.041689      5.293134
  H      -6.561446     -7.090557      7.320205
  H      -7.653337     -7.714661      6.071786
  H      -9.435261     -6.111889      6.831455
  H      -8.301243     -5.436159      8.036160
  H      -6.622900     -2.944153      4.994614
  H      -8.331293     -2.848976      4.528817
  H      -7.035168     -0.874005      3.692925
  H      -5.955947     -1.959159      2.811536
  H      -7.625074     -1.062698      1.236215
  H      -8.951933     -1.572053      2.292520
  H      -6.984997     -3.422363      0.838643
  H      -8.709962     -3.229474      0.481010
  H      -8.427439     -5.277800      1.845415
  H      -9.265812     -4.063506      2.790557
  H      -4.426146     -4.927804      6.981110
  H      -3.896668     -6.584687      7.324537
  H      -2.512886     -5.720568      9.260642
  H      -3.072994     -4.081850      8.907059
  H      -4.898852     -6.451791      9.614132
  H      -5.441084     -4.806826      9.264577
  H      -4.135131     -3.953750     11.244689
  H      -5.404184     -5.136950     11.682839
  H      -1.496181     -7.308648      6.550958
  H      -1.068876     -6.180280      7.813322
  H      -0.194238     -5.734358      4.920717
  H       0.807230     -6.621799      6.069357
  H       1.332156     -4.687815      7.314069
  H       1.033934     -3.930550      5.749334
  H      -0.319873     -2.616111      7.204309
  H      -0.741682     -3.983603      8.225605
  H      -2.669510     -3.190090      6.768131
  H      -1.706210     -3.555079      5.346157
  N      -4.538610     -3.244494      5.148910
  H      -4.497123     -2.298119      5.546887
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266057895062
  N      -2.770592     -3.591427      2.477498
  C      -2.121921     -4.484045      1.507457
  C      -2.229009     -5.931922      1.948582
  N      -3.582056     -6.171810      2.464320
  C      -4.608450     -6.145090      1.417879
  C      -5.959392     -5.841627      2.028423
  N      -5.889706     -4.721295      2.970691
  Mo     -4.056870     -4.364327      3.836133
  N      -2.974431     -5.637989      5.004170
  C      -2.895007     -7.044750      4.632007
  C      -3.688683     -7.323896      3.364591
  H      -3.288257     -7.708392      5.427415
  H      -1.842722     -7.355612      4.476533
  H      -4.752337     -7.448683      3.607137
  H      -3.338043     -8.256455      2.879713
  H      -6.633488     -5.620783      1.184671
  H      -6.374804     -6.752080      2.506767
  H      -4.342752     -5.341862      0.718052
  H      -4.635877     -7.096339      0.851651
  H      -1.047039     -4.264681      1.396129
  H      -2.556280     -4.356457      0.496761
  H      -1.523523     -6.114105      2.768923
  H      -1.979770     -6.620547      1.118468
  C      -2.559381     -2.151726      2.138091
  C      -1.066403     -1.863774      1.835187
  C      -0.070844     -2.323106      2.898621
  C       1.372750     -2.081732      2.457814
  C       2.420735     -2.731666      3.340041
  Cl      2.384137     -4.542966      3.201794
  C      -3.027900     -1.252036      3.294230
  C      -3.031701      0.242789      2.963254
  C      -3.897566      0.531762      1.734771
  C      -3.450904     -0.313378      0.540920
  C      -3.414584     -1.805495      0.888588
  C      -7.257291     -4.369320      3.479555
  C      -7.770214     -5.437499      4.486205
  C      -6.853346     -5.720014      5.672243
  C      -7.366828     -6.790798      6.641924
  C      -8.536296     -6.294421      7.470609
  Cl     -9.073881     -7.535336      8.678959
  C      -7.306008     -2.975196      4.133360
  C      -6.992909     -1.842290      3.156545
  C      -7.936173     -1.840216      1.953166
  C      -7.972716     -3.220523      1.291850
  C      -8.295897     -4.300836      2.323164
  C      -2.426860     -5.328438      6.365204
  C      -3.588484     -5.530787      7.366463
  C      -3.353833     -5.157986      8.829144
  C      -4.603501     -5.413733      9.672068
  C      -4.477098     -5.017388     11.129644
  Cl     -3.237067     -6.014665     12.007458
  C      -1.239558     -6.257094      6.726960
  C       0.034621     -5.839835      5.994648
  C       0.551948     -4.500146      6.559393
  C      -0.594198     -3.683809      7.181175
  C      -1.891988     -3.862523      6.390845
  H      -0.798306     -2.324209      0.869903
  H      -0.948509     -0.781990      1.674574
  H      -0.219527     -3.392760      3.111255
  H      -0.253714     -1.798363      3.850370
  H       1.515938     -2.432737      1.422317
  H       1.584906     -0.997474      2.448203
  H       2.263404     -2.511391      4.404105
  H       3.437501     -2.437850      3.055373
  H      -4.055028     -1.546143      3.548521
  H      -2.423260     -1.457603      4.190284
  H      -2.006628      0.612143      2.789341
  H      -3.411555      0.799702      3.834608
  H      -3.868340      1.603397      1.481779
  H      -4.947923      0.288830      1.974185
  H      -2.454189      0.020378      0.205426
  H      -4.129157     -0.156593     -0.313333
  H      -3.047619     -2.375550      0.020803
  H      -4.439745     -2.159356      1.092301
  H      -8.759042     -5.097704      4.837151
  H      -7.954035     -6.382890      3.945642
  H      -6.652166     -4.791096      6.228440
  H      -5.870967     -6.042824      5.293438
  H      -6.552706     -7.079339      7.325186
  H      -7.664593     -7.698460      6.091817
  H      -9.419794     -6.068656      6.862267
  H      -8.264764     -5.404817      8.053630
  H      -6.619533     -2.939888      4.987552
  H      -8.329480     -2.846664      4.526315
  H      -7.035601     -0.873795      3.681021
  H      -5.958761     -1.961756      2.799961
  H      -7.631617     -1.069611      1.226385
  H      -8.955978     -1.576858      2.286942
  H      -6.990716     -3.429524      0.833809
  H      -8.716821     -3.239610      0.479747
  H      -8.429056     -5.283651      1.848795
  H      -9.266749     -4.067582      2.792411
  H      -4.428216     -4.934457      6.978639
  H      -3.896686     -6.591418      7.317662
  H      -2.515432     -5.728425      9.258000
  H      -3.083795     -4.091263      8.909551
  H      -4.895880     -6.474634      9.606885
  H      -5.449341     -4.832857      9.259955
  H      -4.152517     -3.975159     11.244779
  H      -5.414497     -5.167824     11.677625
  H      -1.493279     -7.308919      6.547154
  H      -1.068922     -6.181931      7.811767
  H      -0.191657     -5.729810      4.920945
  H       0.809639     -6.616807      6.070204
  H       1.329770     -4.683707      7.317236
  H       1.030283     -3.923988      5.753796
  H      -0.326751     -2.615670      7.210914
  H      -0.746640     -3.986181      8.229196
  H      -2.674652     -3.193596      6.773024
  H      -1.710125     -3.552468      5.350084
  N      -4.537104     -3.244788      5.146463
  H      -4.489724     -2.297730      5.542310
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266060232213
  N      -2.770988     -3.590591      2.477692
  C      -2.121659     -4.483050      1.508005
  C      -2.228669     -5.930976      1.948652
  N      -3.581889     -6.171005      2.464146
  C      -4.607997     -6.144877      1.417416
  C      -5.959158     -5.841443      2.027529
  N      -5.889486     -4.721294      2.969831
  Mo     -4.056534     -4.364046      3.836345
  N      -2.974026     -5.637604      5.004418
  C      -2.894678     -7.044370      4.631872
  C      -3.688783     -7.323105      3.364773
  H      -3.287868     -7.708159      5.427174
  H      -1.842443     -7.355225      4.476149
  H      -4.752518     -7.446842      3.607630
  H      -3.339118     -8.256050      2.879960
  H      -6.633004     -5.620086      1.183670
  H      -6.375075     -6.751941      2.505362
  H      -4.342435     -5.341846      0.717263
  H      -4.634797     -7.096501      0.851814
  H      -1.046900     -4.263013      1.396888
  H      -2.555809     -4.355434      0.497174
  H      -1.523288     -6.113953      2.768918
  H      -1.979639     -6.618918      1.117924
  C      -2.560056     -2.150745      2.138496
  C      -1.066829     -1.862439      1.836085
  C      -0.071694     -2.321902      2.899878
  C       1.372183     -2.080384      2.459822
  C       2.419483     -2.733873      3.340141
  Cl      2.380267     -4.544801      3.197243
  C      -3.029128     -1.250363      3.293807
  C      -3.033308      0.244269      2.961636
  C      -3.898718      0.532489      1.732715
  C      -3.451355     -0.313392      0.539669
  C      -3.414665     -1.805251      0.888277
  C      -7.257138     -4.369698      3.479213
  C      -7.769892     -5.438227      4.485659
  C      -6.853021     -5.720302      5.671763
  C      -7.365756     -6.790360      6.642417
  C      -8.536071     -6.293584      7.469696
  Cl     -9.071676     -7.531845      8.681696
  C      -7.305941     -2.975677      4.132921
  C      -6.994111     -1.842437      3.156049
  C      -7.937788     -1.840627      1.952872
  C      -7.973155     -3.220972      1.291578
  C      -8.295849     -4.301443      2.322727
  C      -2.426352     -5.328566      6.365796
  C      -3.588423     -5.529716      7.366590
  C      -3.353630     -5.158249      8.829670
  C      -4.603222     -5.414385      9.672587
  C      -4.477292     -5.016465     11.129775
  Cl     -3.236743     -6.011988     12.008883
  C      -1.240126     -6.258418      6.727808
  C       0.034969     -5.843303      5.995981
  C       0.553109     -4.502850      6.558494
  C      -0.591928     -3.686135      7.181587
  C      -1.890308     -3.863185      6.391770
  H      -0.798479     -2.323469      0.871109
  H      -0.948597     -0.780799      1.675069
  H      -0.220026     -3.391758      3.111784
  H      -0.255791     -1.797933      3.851813
  H       1.514964     -2.428482      1.423309
  H       1.585091     -0.996227      2.453438
  H       2.262818     -2.515921      4.404802
  H       3.436737     -2.440939      3.056244
  H      -4.055993     -1.544772      3.548733
  H      -2.424116     -1.454634      4.189933
  H      -2.008208      0.613623      2.787904
  H      -3.413468      0.801455      3.832693
  H      -3.869151      1.603983      1.479099
  H      -4.949221      0.289846      1.971747
  H      -2.454445      0.020298      0.204526
  H      -4.128962     -0.157287     -0.315228
  H      -3.047078     -2.375453      0.020861
  H      -4.439700     -2.159622      1.091824
  H      -8.759082     -5.099498      4.836552
  H      -7.952687     -6.383358      3.944232
  H      -6.651805     -4.790903      6.227221
  H      -5.870452     -6.042665      5.293000
  H      -6.551633     -7.076999      7.326391
  H      -7.662423     -7.699156      6.093537
  H      -9.420051     -6.070541      6.861041
  H      -8.265601     -5.401884      8.050103
  H      -6.617794     -2.940272      4.985810
  H      -8.328784     -2.847294      4.527512
  H      -7.037125     -0.874099      3.680806
  H      -5.960019     -1.961166      2.798996
  H      -7.634015     -1.069676      1.226143
  H      -8.957613     -1.577992      2.287209
  H      -6.990749     -3.428833      0.833861
  H      -8.716915     -3.240982      0.479139
  H      -8.428735     -5.284249      1.848204
  H      -9.266714     -4.068610      2.792203
  H      -4.427069     -4.931688      6.979089
  H      -3.898724     -6.589762      7.317164
  H      -2.515213     -5.729215      9.257830
  H      -3.083230     -4.091629      8.910800
  H      -4.894450     -6.475647      9.608393
  H      -5.449659     -4.834785      9.259837
  H      -4.153270     -3.973945     11.243863
  H      -5.414724     -5.166790     11.677756
  H      -1.495043     -7.310028      6.548389
  H      -1.069314     -6.183261      7.812631
  H      -0.189826     -5.735209      4.921758
  H       0.809166     -6.620826      6.074225
  H       1.332780     -4.685193      7.314776
  H       1.029503     -3.927282      5.751399
  H      -0.323671     -2.618175      7.211871
  H      -0.744261     -3.988864      8.229535
  H      -2.671839     -3.193850      6.775724
  H      -1.709503     -3.552205      5.351150
  N      -4.535426     -3.244131      5.146944
  H      -4.489383     -2.298383      5.545913
112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668095-XDcQ/orca E -7160.266061534123
  N      -2.771071     -3.590873      2.477261
  C      -2.122077     -4.483343      1.507346
  C      -2.229150     -5.931382      1.947628
  N      -3.582327     -6.171411      2.463383
  C      -4.608576     -6.145246      1.416823
  C      -5.959604     -5.841476      2.027066
  N      -5.889453     -4.721329      2.969351
  Mo     -4.056315     -4.364347      3.835893
  N      -2.974261     -5.638012      5.003993
  C      -2.894729     -7.044708      4.631071
  C      -3.689066     -7.323484      3.364137
  H      -3.287815     -7.708616      5.426328
  H      -1.842502     -7.355396      4.475101
  H      -4.752807     -7.447185      3.607054
  H      -3.339626     -8.256554      2.879413
  H      -6.633433     -5.619679      1.183307
  H      -6.375785     -6.751839      2.504904
  H      -4.343004     -5.342496      0.716369
  H      -4.635652     -7.097000      0.851419
  H      -1.047318     -4.263412      1.395950
  H      -2.556487     -4.355416      0.496685
  H      -1.523515     -6.114969      2.767545
  H      -1.980582     -6.619003      1.116499
  C      -2.560069     -2.150976      2.138195
  C      -1.066655     -1.862655      1.836264
  C      -0.071949     -2.322493      2.900236
  C       1.372139     -2.079309      2.461736
  C       2.419215     -2.731992      3.342829
  Cl      2.382055     -4.542943      3.199450
  C      -3.029408     -1.250483      3.293202
  C      -3.033371      0.244109      2.960837
  C      -3.898609      0.532316      1.731841
  C      -3.450969     -0.313683      0.539008
  C      -3.414287     -1.805510      0.887702
  C      -7.256894     -4.369701      3.479456
  C      -7.769020     -5.438065      4.486336
  C      -6.851277     -5.720071      5.671779
  C      -7.363589     -6.788625      6.644241
  C      -8.532440     -6.289286      7.472118
  Cl     -9.067986     -7.524653      8.687159
  C      -7.305279     -2.975623      4.132924
  C      -6.994296     -1.842337      3.155802
  C      -7.938737     -1.840782      1.953218
  C      -7.974123     -3.221166      1.292133
  C      -8.296213     -4.301626      2.323485
  C      -2.426416     -5.329180      6.365335
  C      -3.588479     -5.530746      7.366015
  C      -3.354489     -5.159581      8.829308
  C      -4.603963     -5.417842      9.671644
  C      -4.480014     -5.017913     11.128457
  Cl     -3.237477     -6.009139     12.009630
  C      -1.240008     -6.258885      6.726985
  C       0.035123     -5.842928      5.995775
  C       0.552621     -4.502511      6.558914
  C      -0.592857     -3.686644      7.182291
  C      -1.890756     -3.863726      6.391679
  H      -0.798147     -2.323618      0.871278
  H      -0.948115     -0.781041      1.675349
  H      -0.219087     -3.392875      3.110564
  H      -0.257587     -1.800358      3.852889
  H       1.516020     -2.426919      1.425214
  H       1.584021     -0.994931      2.455938
  H       2.261466     -2.514165      4.407361
  H       3.436509     -2.438225      3.059925
  H      -4.056357     -1.544721      3.547969
  H      -2.424755     -1.454678      4.189600
  H      -2.008199      0.613274      2.787144
  H      -3.413460      0.801319      3.831914
  H      -3.868901      1.603775      1.478093
  H      -4.949166      0.289770      1.970791
  H      -2.453904      0.019920      0.204162
  H      -4.128181     -0.157714     -0.316227
  H      -3.046435     -2.375630      0.020355
  H      -4.439353     -2.160080      1.090873
  H      -8.758014     -5.099238      4.837704
  H      -7.952371     -6.383149      3.944967
  H      -6.648807     -4.790272      6.226186
  H      -5.869256     -6.042892      5.292010
  H      -6.548862     -7.075067      7.327564
  H      -7.661977     -7.697884      6.097068
  H      -9.416916     -6.066423      6.864144
  H      -8.260409     -5.396793      8.050568
  H      -6.616384     -2.940009      4.985193
  H      -8.327813     -2.847113      4.528329
  H      -7.037199     -0.874006      3.680587
  H      -5.960306     -1.960773      2.798228
  H      -7.635732     -1.069747      1.226265
  H      -8.958334     -1.578359      2.288448
  H      -6.991917     -3.428724      0.833832
  H      -8.718174     -3.241519      0.479940
  H      -8.429196     -5.284513      1.849140
  H      -9.266912     -4.068908      2.793356
  H      -4.427160     -4.932723      6.978509
  H      -3.898636     -6.590832      7.316328
  H      -2.515253     -5.729462      9.257347
  H      -3.085598     -4.092609      8.911055
  H      -4.892747     -6.479841      9.608554
  H      -5.451561     -4.840715      9.257774
  H      -4.158707     -3.974425     11.241437
  H      -5.417408     -5.169955     11.676029
  H      -1.494429     -7.310486      6.546806
  H      -1.069548     -6.184481      7.811932
  H      -0.189313     -5.734606      4.921477
  H       0.809554     -6.620221      6.074060
  H       1.332635     -4.684634      7.314902
  H       1.028632     -3.926255      5.752053
  H      -0.325018     -2.618609      7.213760
  H      -0.745516     -3.990269      8.229931
  H      -2.672666     -3.194635      6.775279
  H      -1.709466     -3.552557      5.351196
  N      -4.534579     -3.243756      5.146088
  H      -4.487276     -2.297114      5.542826
