116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7268.569783266451
  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      -3.617912     -2.184202      5.315314
  H      -4.845649     -2.976040      6.032761
  H      -5.126690     -2.058938      4.717841
  N      -5.569446     -4.973962      5.313160
  N      -6.543451     -5.353648      6.274176
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7269.153981721071
  N      -2.616416     -3.623958      2.676879
  C      -1.961295     -4.622857      1.854731
  C      -2.332589     -6.030815      2.300732
  N      -3.736902     -6.073726      2.666206
  C      -4.597092     -5.969560      1.504395
  C      -5.994769     -5.532428      1.924060
  N      -5.952868     -4.512121      2.955081
  Mo     -4.101239     -4.399046      3.874031
  N      -3.233821     -5.667056      5.225012
  C      -3.356913     -7.060829      4.857457
  C      -4.044107     -7.222803      3.496803
  H      -3.939734     -7.635199      5.603589
  H      -2.373410     -7.558368      4.793299
  H      -5.126489     -7.247560      3.634436
  H      -3.730175     -8.167392      3.020442
  H      -6.493318     -5.172133      1.008666
  H      -6.566525     -6.422668      2.252169
  H      -4.178793     -5.193802      0.860628
  H      -4.641255     -6.916527      0.939592
  H      -0.862580     -4.551729      1.924530
  H      -2.204119     -4.504659      0.782077
  H      -1.757879     -6.262748      3.196262
  H      -2.091508     -6.769191      1.517868
  C      -2.440087     -2.281740      2.128816
  C      -0.983230     -1.971049      1.699179
  C       0.068736     -2.100078      2.800209
  C       1.464909     -1.818270      2.242831
  C       2.573096     -2.061628      3.252817
  Cl      2.799923     -3.818126      3.552964
  C      -2.909512     -1.258481      3.170728
  C      -2.995711      0.179486      2.667900
  C      -3.952981      0.268379      1.484928
  C      -3.513909     -0.685408      0.380201
  C      -3.375003     -2.115545      0.895421
  C      -7.301495     -4.220392      3.432472
  C      -7.819321     -5.353195      4.392918
  C      -6.854763     -5.600058      5.547184
  C      -6.970616     -7.006140      6.167823
  C      -8.305406     -7.194122      6.868137
  Cl     -8.390850     -8.809013      7.651786
  C      -7.350258     -2.896719      4.215300
  C      -6.991084     -1.711874      3.325116
  C      -7.999830     -1.578726      2.189203
  C      -8.040420     -2.878494      1.392745
  C      -8.361413     -4.056236      2.310672
  C      -2.583842     -5.433417      6.515536
  C      -3.683853     -5.494566      7.615869
  C      -3.313095     -5.055509      9.030377
  C      -4.528742     -5.128652      9.956477
  C      -4.210266     -4.696163     11.377730
  Cl     -3.072154     -5.839401     12.171823
  C      -1.476704     -6.456007      6.870229
  C      -0.239269     -6.234177      6.005804
  C       0.461210     -4.927596      6.397572
  C      -0.517003     -3.968008      7.076527
  C      -1.911156     -4.037364      6.456399
  H      -0.707915     -2.622577      0.866625
  H      -0.950559     -0.950539      1.316923
  H       0.037849     -3.101283      3.232474
  H      -0.138170     -1.387617      3.600184
  H       1.644434     -2.437254      1.360118
  H       1.524858     -0.771480      1.931598
  H       2.344732     -1.611515      4.218704
  H       3.533448     -1.696846      2.888415
  H      -3.908969     -1.584924      3.451025
  H      -2.256471     -1.313614      4.043127
  H      -2.011592      0.550743      2.374766
  H      -3.354411      0.819090      3.479201
  H      -3.987892      1.291583      1.101005
  H      -4.959194     -0.002002      1.814252
  H      -2.563214     -0.346829     -0.039519
  H      -4.247125     -0.671888     -0.432229
  H      -3.018926     -2.740857      0.072223
  H      -4.356103     -2.494255      1.203246
  H      -8.807050     -5.065743      4.760048
  H      -7.944459     -6.277986      3.824064
  H      -7.037795     -4.822187      6.378817
  H      -5.818846     -5.469719      5.152569
  H      -6.170340     -7.156243      6.894188
  H      -6.863280     -7.765292      5.386511
  H      -9.139858     -7.150096      6.169916
  H      -8.442824     -6.460159      7.663018
  H      -6.677063     -2.969465      5.062947
  H      -8.365492     -2.763123      4.599616
  H      -6.966320     -0.787611      3.909823
  H      -6.000374     -1.897614      2.901102
  H      -7.726892     -0.747414      1.533912
  H      -8.992621     -1.369918      2.599179
  H      -7.066752     -3.033204      0.922639
  H      -8.792671     -2.814873      0.600794
  H      -8.471828     -4.973603      1.729605
  H      -9.326779     -3.871799      2.791331
  H      -4.520773     -4.884590      7.263914
  H      -4.032769     -6.530083      7.662251
  H      -2.533286     -5.701825      9.435611
  H      -2.932194     -4.032745      9.026584
  H      -4.921384     -6.147990      9.968088
  H      -5.317732     -4.469411      9.583411
  H      -3.724164     -3.720883     11.399926
  H      -5.104202     -4.682601     12.001012
  H      -1.843306     -7.478651      6.776211
  H      -1.195882     -6.326507      7.915722
  H      -0.542957     -6.178212      4.958616
  H       0.449625     -7.077746      6.104022
  H       1.293212     -5.133702      7.076213
  H       0.879624     -4.461255      5.504697
  H      -0.139957     -2.945309      6.991949
  H      -0.578212     -4.198673      8.142381
  H      -2.534099     -3.311340      6.978157
  H      -1.854723     -3.766257      5.394748
  N      -4.449945     -2.710819      5.130597
  H      -3.601562     -2.178604      5.320203
  H      -4.829442     -2.968875      6.041182
  H      -5.112268     -2.048591      4.728205
  N      -5.559487     -4.960856      5.319501
  N      -6.558338     -5.348218      6.307157
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7269.587340545700
  N      -2.609764     -3.622425      2.677315
  C      -1.955850     -4.622139      1.852535
  C      -2.327626     -6.029555      2.298861
  N      -3.733672     -6.071949      2.667497
  C      -4.597349     -5.967713      1.505925
  C      -5.995133     -5.531408      1.926271
  N      -5.954995     -4.510074      2.957911
  Mo     -4.094890     -4.394197      3.877865
  N      -3.224047     -5.663948      5.225829
  C      -3.348351     -7.059313      4.858760
  C      -4.039710     -7.222274      3.499954
  H      -3.929492     -7.633594      5.606802
  H      -2.364678     -7.557196      4.792516
  H      -5.122460     -7.247042      3.640056
  H      -3.727044     -8.167663      3.023186
  H      -6.493939     -5.171952      1.010268
  H      -6.566548     -6.422161      2.254823
  H      -4.179419     -5.191808      0.861154
  H      -4.642327     -6.915147      0.941329
  H      -0.856511     -4.551858      1.920238
  H      -2.200418     -4.503302      0.779981
  H      -1.751197     -6.262118      3.193853
  H      -2.088476     -6.768457      1.515369
  C      -2.433668     -2.278749      2.127775
  C      -0.977597     -1.968581      1.694993
  C       0.077224     -2.097000      2.793671
  C       1.472510     -1.815692      2.233052
  C       2.584201     -2.058234      3.239695
  Cl      2.813419     -3.815129      3.541062
  C      -2.900830     -1.254211      3.169345
  C      -2.989783      0.183490      2.666333
  C      -3.951122      0.269331      1.485601
  C      -3.514058     -0.684662      0.379527
  C      -3.371906     -2.114099      0.896479
  C      -7.312936     -4.223272      3.427994
  C      -7.846591     -5.361141      4.387325
  C      -6.886026     -5.609861      5.544775
  C      -7.002424     -7.023859      6.185863
  C      -8.338132     -7.202202      6.884548
  Cl     -8.436810     -8.815980      7.672055
  C      -7.366363     -2.899191      4.211821
  C      -7.000485     -1.712523      3.324416
  C      -8.002146     -1.579870      2.181068
  C      -8.037125     -2.880049      1.383239
  C      -8.364398     -4.059245      2.298462
  C      -2.570681     -5.430304      6.516256
  C      -3.670325     -5.494786      7.616993
  C      -3.307566     -5.058872      9.034149
  C      -4.530560     -5.140784      9.950754
  C      -4.227124     -4.711995     11.376677
  Cl     -3.090020     -5.852209     12.178438
  C      -1.461764     -6.452389      6.868019
  C      -0.225214     -6.228441      6.002088
  C       0.474840     -4.920931      6.394971
  C      -0.503781     -3.962702      7.076817
  C      -1.898972     -4.032534      6.458174
  H      -0.703954     -2.621207      0.861729
  H      -0.945749     -0.947620      1.311428
  H       0.047093     -3.098673      3.226983
  H      -0.127808     -1.383520      3.594454
  H       1.649919     -2.435555      1.349659
  H       1.531695     -0.768261      1.920862
  H       2.358831     -1.607251      4.206607
  H       3.543839     -1.693228      2.872027
  H      -3.899744     -1.580349      3.451904
  H      -2.245330     -1.308873      4.041071
  H      -2.006282      0.556692      2.370122
  H      -3.347271      0.823434      3.478864
  H      -3.989206      1.292859      1.100837
  H      -4.957191     -0.003400      1.819030
  H      -2.564669     -0.344514     -0.043992
  H      -4.250153     -0.673206     -0.431232
  H      -3.017429     -2.741027      0.072887
  H      -4.352543     -2.493064      1.207678
  H      -8.836882     -5.065952      4.745181
  H      -7.973001     -6.289164      3.823178
  H      -7.073855     -4.779132      6.421893
  H      -5.836882     -5.499904      5.148774
  H      -6.204235     -7.176823      6.914086
  H      -6.898364     -7.785487      5.402037
  H      -9.172429     -7.153321      6.185558
  H      -8.469599     -6.464734      7.679140
  H      -6.699446     -2.972947      5.065077
  H      -8.385096     -2.765263      4.588890
  H      -6.979876     -0.788066      3.910339
  H      -6.005787     -1.896529      2.905799
  H      -7.724999     -0.747373      1.527848
  H      -8.998603     -1.371750      2.584549
  H      -7.059391     -3.034070      0.919428
  H      -8.784243     -2.816410      0.585567
  H      -8.470239     -4.976858      1.715601
  H      -9.333837     -3.875779      2.772870
  H      -4.507697     -4.885706      7.265078
  H      -4.016975     -6.532097      7.660107
  H      -2.527150     -5.703474      9.443035
  H      -2.929800     -4.033926      9.035672
  H      -4.918666     -6.162716      9.955343
  H      -5.320678     -4.483615      9.572730
  H      -3.746013     -3.733749     11.406884
  H      -5.127079     -4.705034     11.992356
  H      -1.827956     -7.475821      6.773188
  H      -1.179740     -6.323822      7.914173
  H      -0.530612     -6.171588      4.954589
  H       0.464965     -7.071945      6.098228
  H       1.308427     -5.127301      7.072650
  H       0.892097     -4.452527      5.501704
  H      -0.127638     -2.938819      6.993359
  H      -0.563570     -4.194998      8.143175
  H      -2.522846     -3.307120      6.981890
  H      -1.843829     -3.759398      5.396580
  N      -4.436882     -2.703460      5.141060
  H      -3.586560     -2.172833      5.328798
  H      -4.814456     -2.962902      6.053514
  H      -5.099418     -2.038252      4.742733
  N      -5.551810     -4.947740      5.331738
  N      -6.571871     -5.338182      6.349176
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7269.910806963201
  N      -2.603283     -3.621063      2.678033
  C      -1.950408     -4.621777      1.850515
  C      -2.322269     -6.028594      2.297352
  N      -3.730301     -6.070434      2.669504
  C      -4.597968     -5.966012      1.507922
  C      -5.995855     -5.530435      1.928941
  N      -5.957478     -4.507697      2.961435
  Mo     -4.088832     -4.389114      3.882671
  N      -3.213374     -5.660583      5.227381
  C      -3.338601     -7.057719      4.860913
  C      -4.034772     -7.222173      3.504284
  H      -3.917652     -7.632028      5.611160
  H      -2.354581     -7.555664      4.792337
  H      -5.117940     -7.247281      3.647215
  H      -3.723322     -8.168266      3.027067
  H      -6.494886     -5.171915      1.012209
  H      -6.567050     -6.421682      2.257996
  H      -4.180388     -5.189905      0.862028
  H      -4.643687     -6.913948      0.943573
  H      -0.850398     -4.552186      1.915882
  H      -2.196936     -4.502326      0.778094
  H      -1.743963     -6.261797      3.191821
  H      -2.085135     -6.768122      1.513255
  C      -2.427150     -2.275774      2.125964
  C      -0.971841     -1.966854      1.689788
  C       0.085971     -2.094187      2.786013
  C       1.480448     -1.814159      2.221883
  C       2.595895     -2.055485      3.224990
  Cl      2.827416     -3.812790      3.528826
  C      -2.891811     -1.248957      3.166362
  C      -2.983479      0.188159      2.662094
  C      -3.949088      0.270064      1.483590
  C      -3.514190     -0.685039      0.376780
  C      -3.368800     -2.113446      0.896640
  C      -7.324705     -4.225321      3.424635
  C      -7.873968     -5.367994      4.382560
  C      -6.918414     -5.619503      5.542871
  C      -7.035400     -7.042450      6.202081
  C      -8.372462     -7.211038      6.898035
  Cl     -8.486058     -8.824658      7.688249
  C      -7.382549     -2.900540      4.209190
  C      -7.010065     -1.711989      3.324328
  C      -8.004721     -1.580015      2.173612
  C      -8.034240     -2.880796      1.374571
  C      -8.367653     -4.061314      2.287398
  C      -2.556287     -5.426618      6.517843
  C      -3.655367     -5.495609      7.619061
  C      -3.301700     -5.063391      9.039274
  C      -4.532751     -5.156060      9.945136
  C      -4.246706     -4.731688     11.376253
  Cl     -3.110145     -5.867961     12.186717
  C      -1.444990     -6.447721      6.865972
  C      -0.209443     -6.220798      5.998510
  C       0.489572     -4.911997      6.393146
  C      -0.490012     -3.955811      7.078432
  C      -1.886333     -4.026483      6.461322
  H      -0.700075     -2.621327      0.856155
  H      -0.940638     -0.945609      1.304058
  H       0.056310     -3.096141      3.221076
  H      -0.116884     -1.379023      3.587314
  H       1.655471     -2.435571      1.338067
  H       1.539118     -0.766152      1.908008
  H       2.373936     -1.602897      4.192804
  H       3.554885     -1.690668      2.853569
  H      -3.890346     -1.574222      3.451497
  H      -2.233770     -1.302649      4.037589
  H      -2.000496      0.563130      2.362399
  H      -3.339635      0.829131      3.475528
  H      -3.990451      1.293740      1.097208
  H      -4.955106     -0.004827      1.821562
  H      -2.566059     -0.343585     -0.050987
  H      -4.253293     -0.676280     -0.432331
  H      -3.016009     -2.742862      0.073117
  H      -4.349122     -2.492306      1.211580
  H      -8.866858     -5.065297      4.731364
  H      -8.001506     -6.298893      3.822324
  H      -7.110109     -4.736254      6.465611
  H      -5.856497     -5.529878      5.147354
  H      -6.239723     -7.199216      6.932329
  H      -6.934404     -7.806348      5.415057
  H      -9.206306     -7.156170      6.197840
  H      -8.497696     -6.470550      7.692975
  H      -6.721754     -2.975258      5.068100
  H      -8.404799     -2.766138      4.579144
  H      -6.993505     -0.787185      3.911449
  H      -6.011360     -1.894083      2.910822
  H      -7.723488     -0.746258      1.522300
  H      -9.004879     -1.372533      2.570740
  H      -7.052446     -3.034300      0.916841
  H      -8.776365     -2.817212      0.571219
  H      -8.469079     -4.979380      1.702898
  H      -9.341137     -3.878626      2.755702
  H      -4.493587     -4.887973      7.267356
  H      -3.999007     -6.535128      7.658283
  H      -2.520219     -5.705736      9.452207
  H      -2.928027     -4.035754      9.046943
  H      -4.915063     -6.181122      9.941604
  H      -5.324535     -4.501642      9.561617
  H      -3.771952     -3.749830     11.415729
  H      -5.153390     -4.732854     11.983227
  H      -1.810399     -7.472173      6.770005
  H      -1.161751     -6.320290      7.912958
  H      -0.516699     -6.162845      4.950593
  H       0.482515     -7.064012      6.092148
  H       1.324963     -5.118536      7.069809
  H       0.905504     -4.440831      5.499654
  H      -0.115250     -2.930389      6.996630
  H      -0.548262     -4.190297      8.145312
  H      -2.511657     -3.302133      6.987394
  H      -1.832657     -3.750640      5.399876
  N      -4.424251     -2.694693      5.153235
  H      -3.572091     -2.165309      5.339157
  H      -4.799719     -2.955998      6.067328
  H      -5.087206     -2.026487      4.759140
  N      -5.545276     -4.934275      5.346400
  N      -6.586388     -5.327736      6.392620
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.150475329339
  N      -2.596965     -3.619943      2.679113
  C      -1.944884     -4.621806      1.848763
  C      -2.316426     -6.028002      2.296263
  N      -3.726674     -6.069307      2.672184
  C      -4.598763     -5.964599      1.510340
  C      -5.996789     -5.529694      1.931987
  N      -5.960353     -4.505148      2.965571
  Mo     -4.083154     -4.383816      3.888362
  N      -3.201868     -5.656748      5.229339
  C      -3.327495     -7.055966      4.863765
  C      -4.029093     -7.222631      3.509750
  H      -3.903918     -7.630372      5.616607
  H      -2.342883     -7.553587      4.792702
  H      -5.112740     -7.248508      3.655816
  H      -3.718685     -8.169451      3.032140
  H      -6.496015     -5.172261      1.014384
  H      -6.567843     -6.421433      2.261599
  H      -4.181494     -5.188245      0.863226
  H      -4.645100     -6.913102      0.946250
  H      -0.844151     -4.552720      1.911613
  H      -2.193526     -4.501746      0.776491
  H      -1.736141     -6.261862      3.190255
  H      -2.081347     -6.768264      1.511615
  C      -2.420587     -2.272888      2.123497
  C      -0.966034     -1.965923      1.683729
  C       0.094869     -2.091703      2.777395
  C       1.488641     -1.813731      2.209581
  C       2.608056     -2.053474      3.208970
  Cl      2.841824     -3.811233      3.516511
  C      -2.882607     -1.242790      3.161864
  C      -2.977001      0.193418      2.655177
  C      -3.947019      0.270455      1.478854
  C      -3.514344     -0.686675      0.371985
  C      -3.365673     -2.113722      0.895957
  C      -7.336893     -4.226644      3.422438
  C      -7.901520     -5.373573      4.378689
  C      -6.951894     -5.628619      5.541387
  C      -7.070102     -7.061606      6.216690
  C      -8.409000     -7.219818      6.908729
  Cl     -8.539434     -8.833783      7.700846
  C      -7.398856     -2.900839      4.207352
  C      -7.019850     -1.710451      3.324752
  C      -8.007502     -1.579377      2.166666
  C      -8.031722     -2.881003      1.366665
  C      -8.371204     -4.062625      2.277474
  C      -2.540683     -5.422251      6.520114
  C      -3.638991     -5.497249      7.621751
  C      -3.295290     -5.069425      9.045406
  C      -4.534803     -5.175008      9.939528
  C      -4.268254     -4.755932     11.376248
  Cl     -3.131530     -5.887320     12.196181
  C      -1.426328     -6.441858      6.863858
  C      -0.191845     -6.210917      5.994995
  C       0.505323     -4.900450      6.392276
  C      -0.475969     -3.947188      7.081549
  C      -1.873472     -4.019077      6.465880
  H      -0.696305     -2.622983      0.850069
  H      -0.935319     -0.944569      1.294952
  H       0.065351     -3.093752      3.214876
  H      -0.105531     -1.374223      3.578944
  H       1.661053     -2.437325      1.325583
  H       1.547074     -0.765207      1.893320
  H       2.389912     -1.598578      4.177568
  H       3.566475     -1.689251      2.833365
  H      -3.880956     -1.566694      3.449867
  H      -2.222004     -1.294960      4.032817
  H      -1.994435      0.570033      2.351613
  H      -3.331772      0.836123      3.469148
  H      -3.991817      1.294095      1.090058
  H      -4.953046     -0.006428      1.821769
  H      -2.567418     -0.344141     -0.060442
  H      -4.256537     -0.681294     -0.435544
  H      -3.014582     -2.746516      0.073017
  H      -4.345824     -2.492157      1.214959
  H      -8.897038     -5.063592      4.718722
  H      -8.030036     -6.307044      3.821667
  H      -7.147090     -4.692272      6.510218
  H      -5.876186     -5.558417      5.147471
  H      -6.277428     -7.222994      6.949178
  H      -6.972152     -7.827781      5.426257
  H      -9.242040     -7.157887      6.206878
  H      -8.527675     -6.476622      7.704437
  H      -6.744017     -2.976405      5.072000
  H      -8.424657     -2.765781      4.570315
  H      -7.007224     -0.785131      3.913008
  H      -6.017107     -1.890497      2.916132
  H      -7.722260     -0.744334      1.517055
  H      -9.011417     -1.372417      2.557521
  H      -7.045865     -3.034246      0.914852
  H      -8.768947     -2.817582      0.557628
  H      -8.468383     -4.981405      1.691576
  H      -9.348729     -3.880461      2.739782
  H      -4.478583     -4.891671      7.270549
  H      -3.978804     -6.539405      7.656320
  H      -2.512164     -5.708938      9.462585
  H      -2.926780     -4.038576      9.060064
  H      -4.909947     -6.203726      9.926789
  H      -5.328921     -4.524089      9.550203
  H      -3.801374     -3.769815     11.426227
  H      -5.182188     -4.766884     11.973564
  H      -1.790511     -7.467573      6.766295
  H      -1.141961     -6.315874      7.911911
  H      -0.500989     -6.151565      4.946523
  H       0.502443     -7.053565      6.085664
  H       1.342682     -5.107061      7.067942
  H       0.919840     -4.425665      5.498867
  H      -0.103157     -2.919830      7.002143
  H      -0.532655     -4.184573      8.148939
  H      -2.500894     -3.296383      6.994730
  H      -1.821429     -3.739671      5.404715
  N      -4.412069     -2.684201      5.167174
  H      -3.558091     -2.155864      5.351211
  H      -4.785266     -2.947647      6.082809
  H      -5.075607     -2.012807      4.777602
  N      -5.540182     -4.920583      5.363199
  N      -6.602039     -5.316167      6.437431
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.327052072703
  N      -2.590956     -3.619140      2.680689
  C      -1.939309     -4.622245      1.847492
  C      -2.310050     -6.027791      2.295753
  N      -3.722709     -6.068638      2.675590
  C      -4.599613     -5.963625      1.513250
  C      -5.997874     -5.529445      1.935397
  N      -5.963710     -4.502634      2.970192
  Mo     -4.078043     -4.378313      3.894900
  N      -3.189484     -5.652318      5.231565
  C      -3.314776     -7.053886      4.867258
  C      -4.022456     -7.223628      3.516416
  H      -3.887908     -7.628453      5.623110
  H      -2.329287     -7.550664      4.793578
  H      -5.106627     -7.250815      3.665918
  H      -3.712830     -8.171140      3.038503
  H      -6.497269     -5.173374      1.016758
  H      -6.568798     -6.421689      2.265655
  H      -4.182630     -5.187007      0.864804
  H      -4.646294     -6.912775      0.949503
  H      -0.837834     -4.553388      1.907714
  H      -2.190145     -4.501561      0.775394
  H      -1.727787     -6.262304      3.189354
  H      -2.077003     -6.768910      1.510672
  C      -2.414167     -2.270195      2.120430
  C      -0.960387     -1.965903      1.676907
  C       0.103658     -2.089637      2.767901
  C       1.496839     -1.814538      2.196312
  C       2.620370     -2.052353      3.191816
  Cl      2.856288     -3.810628      3.504317
  C      -2.873511     -1.235800      3.155841
  C      -2.970663      0.199135      2.645395
  C      -3.945105      0.270330      1.471147
  C      -3.514586     -0.689820      0.365040
  C      -3.362605     -2.115145      0.894398
  C      -7.349354     -4.227292      3.421541
  C      -7.929189     -5.377536      4.376067
  C      -6.986538     -5.636925      5.540357
  C      -7.107198     -7.080797      6.229293
  C      -8.448457     -7.227428      6.916229
  Cl     -8.598369     -8.842142      7.709652
  C      -7.414690     -2.900116      4.206250
  C      -7.029182     -1.708202      3.325447
  C      -8.009900     -1.578149      2.160083
  C      -8.029352     -2.880950      1.359573
  C      -8.374955     -4.063240      2.268915
  C      -2.523901     -5.417053      6.522985
  C      -3.621144     -5.500017      7.624929
  C      -3.288081     -5.077447      9.052432
  C      -4.536067     -5.198471      9.934140
  C      -4.290842     -4.785752     11.376737
  Cl     -3.152777     -5.911124     12.206522
  C      -1.405677     -6.434481      6.861408
  C      -0.172313     -6.198137      5.991444
  C       0.521884     -4.885596      6.392614
  C      -0.462104     -3.936469      7.086497
  C      -1.860777     -4.010048      6.472061
  H      -0.692836     -2.626298      0.843615
  H      -0.930027     -0.944670      1.284132
  H       0.073899     -3.091554      3.208455
  H      -0.094013     -1.369238      3.569410
  H       1.666444     -2.440921      1.312390
  H       1.555368     -0.765589      1.876958
  H       2.406456     -1.594458      4.161053
  H       3.578305     -1.689166      2.811657
  H      -3.871918     -1.557866      3.447000
  H      -2.210432     -1.285798      4.026794
  H      -1.988423      0.577243      2.337620
  H      -3.324045      0.844318      3.459441
  H      -3.993496      1.293697      1.079091
  H      -4.951151     -0.008319      1.819317
  H      -2.568798     -0.346452     -0.072372
  H      -4.259845     -0.688546     -0.441028
  H      -3.013143     -2.752255      0.072667
  H      -4.342738     -2.492835      1.217685
  H      -8.927228     -5.060239      4.707652
  H      -8.058750     -6.313275      3.821614
  H      -7.184531     -4.647138      6.555282
  H      -5.895788     -5.585587      5.148705
  H      -6.318041     -7.247750      6.964190
  H      -7.012550     -7.849250      5.435573
  H      -9.280306     -7.157113      6.212328
  H      -8.559974     -6.481809      7.713033
  H      -6.765500     -2.976482      5.076626
  H      -8.443972     -2.763968      4.562504
  H      -7.020072     -0.782159      3.914670
  H      -6.022512     -1.886303      2.921387
  H      -7.720639     -0.741950      1.511838
  H      -9.017516     -1.371313      2.544825
  H      -7.039530     -3.034458      0.913437
  H      -8.761812     -2.817759      0.544914
  H      -8.468301     -4.983052      1.682021
  H      -9.356415     -3.881122      2.725419
  H      -4.462860     -4.897298      7.274681
  H      -3.956090     -6.545257      7.653909
  H      -2.502517     -5.713407      9.473812
  H      -2.926080     -4.042834      9.074961
  H      -4.902389     -6.231384      9.911102
  H      -5.333438     -4.552028      9.539000
  H      -3.833662     -3.794690     11.438451
  H      -5.212290     -4.808449     11.963646
  H      -1.768031     -7.461707      6.761611
  H      -1.120394     -6.310382      7.910782
  H      -0.483275     -6.136963      4.942285
  H       0.524982     -7.039810      6.078567
  H       1.361321     -5.092156      7.067334
  H       0.934915     -4.406083      5.499799
  H      -0.091992     -2.906730      7.010517
  H      -0.517277     -4.177688      8.154299
  H      -2.491118     -3.289872      7.004166
  H      -1.810515     -3.725956      5.411406
  N      -4.400646     -2.671616      5.182823
  H      -3.544929     -2.144057      5.364893
  H      -4.771415     -2.937465      6.099822
  H      -5.064937     -1.996963      4.797981
  N      -5.536752     -4.906385      5.382091
  N      -6.619120     -5.303030      6.483237
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.456079489715
  N      -2.585511     -3.618790      2.682932
  C      -1.933899     -4.623129      1.846928
  C      -2.303275     -6.027996      2.296000
  N      -3.718416     -6.068499      2.679834
  C      -4.600455     -5.963194      1.516861
  C      -5.999042     -5.529861      1.939318
  N      -5.967554     -4.500344      2.975282
  Mo     -4.073695     -4.372676      3.902347
  N      -3.176202     -5.647241      5.233906
  C      -3.300237     -7.051343      4.871343
  C      -4.014723     -7.225106      3.524386
  H      -3.869278     -7.626119      5.630643
  H      -2.313577     -7.546650      4.794925
  H      -5.099404     -7.254205      3.677638
  H      -3.705572     -8.173210      3.046258
  H      -6.498575     -5.175523      1.019474
  H      -6.569822     -6.422586      2.270342
  H      -4.183715     -5.186355      0.866987
  H      -4.647096     -6.913071      0.953597
  H      -0.831709     -4.554118      1.904414
  H      -2.187012     -4.501765      0.775079
  H      -1.719120     -6.263185      3.189280
  H      -2.072250     -6.770098      1.510661
  C      -2.408276     -2.267912      2.116915
  C      -0.955341     -1.967047      1.669451
  C       0.111898     -2.088316      2.757596
  C       1.504581     -1.816972      2.182176
  C       2.632314     -2.052642      3.173589
  Cl      2.870134     -3.811529      3.492192
  C      -2.864942     -1.228244      3.148477
  C      -2.964870      0.205007      2.632772
  C      -3.943628      0.269480      1.460478
  C      -3.515155     -0.694740      0.356087
  C      -3.359903     -2.117976      0.892073
  C      -7.361719     -4.227286      3.422120
  C      -7.956588     -5.379457      4.374919
  C      -7.022061     -5.644208      5.539764
  C      -7.146927     -7.099540      6.239107
  C      -8.491112     -7.232951      6.919715
  Cl     -8.663734     -8.848756      7.713790
  C      -7.429302     -2.898432      4.205899
  C      -7.037236     -1.705564      3.326368
  C      -8.011045     -1.576472      2.153854
  C      -8.026578     -2.880794      1.353423
  C      -8.378524     -4.063126      2.261922
  C      -2.506066     -5.410878      6.526322
  C      -3.601919     -5.504229      7.628311
  C      -3.279972     -5.087807      9.060046
  C      -4.535986     -5.227067      9.929030
  C      -4.313569     -4.821786     11.377572
  Cl     -3.172476     -5.939711     12.217276
  C      -1.382973     -6.425164      6.858415
  C      -0.150783     -6.181610      5.987890
  C       0.538849     -4.866512      6.394492
  C      -0.449148     -3.923145      7.093566
  C      -1.848857     -3.999155      6.479978
  H      -0.690153     -2.631473      0.836946
  H      -0.925218     -0.946243      1.271703
  H       0.081438     -3.089835      3.201806
  H      -0.082707     -1.364495      3.558792
  H       1.671148     -2.446653      1.298577
  H       1.563628     -0.767742      1.859074
  H       2.423111     -1.591132      4.143311
  H       3.589847     -1.691002      2.788574
  H      -3.863689     -1.547993      3.443140
  H      -2.199578     -1.275355      4.019704
  H      -1.982888      0.584359      2.320474
  H      -3.316834      0.853447      3.446336
  H      -3.995713      1.292276      1.064317
  H      -4.949615     -0.010558      1.814108
  H      -2.570429     -0.350856     -0.086535
  H      -4.263344     -0.698264     -0.448668
  H      -3.011975     -2.760335      0.072269
  H      -4.340162     -2.494588      1.219763
  H      -8.956883     -5.054630      4.698409
  H      -8.087431     -6.317073      3.822324
  H      -7.221886     -4.600793      6.600468
  H      -5.914900     -5.611493      5.150803
  H      -6.361761     -7.273098      6.976529
  H      -7.056070     -7.870104      5.442516
  H      -9.321316     -7.152652      6.213453
  H      -8.594696     -6.485348      7.717935
  H      -6.785381     -2.975642      5.081895
  H      -8.461885     -2.760554      4.555832
  H      -7.030965     -0.778608      3.916327
  H      -6.026894     -1.882056      2.926554
  H      -7.717626     -0.739392      1.506592
  H      -9.022199     -1.369095      2.532648
  H      -7.032991     -3.035352      0.912723
  H      -8.754374     -2.817809      0.533241
  H      -8.468664     -4.984295      1.674559
  H      -9.363728     -3.880379      2.712826
  H      -4.446745     -4.905430      7.279483
  H      -3.930753     -6.553008      7.650690
  H      -2.490966     -5.719260      9.485381
  H      -2.926145     -4.048884      9.091262
  H      -4.891548     -6.264680      9.894737
  H      -5.337771     -4.586403      9.528318
  H      -3.868246     -3.825094     11.452131
  H      -5.242484     -4.858422     11.953559
  H      -1.742637     -7.454161      6.755616
  H      -1.097188     -6.303454      7.909367
  H      -0.463336     -6.118144      4.937929
  H       0.550389     -7.021672      6.070850
  H       1.380393     -5.072752      7.068385
  H       0.950333     -4.380935      5.502999
  H      -0.082767     -2.890537      7.022297
  H      -0.502962     -4.169283      8.161580
  H      -2.483186     -3.282687      7.015761
  H      -1.800494     -3.709052      5.420157
  N      -4.389998     -2.656491      5.200158
  H      -3.532614     -2.129489      5.380055
  H      -4.758114     -2.924926      6.118253
  H      -5.055176     -1.978577      4.820215
  N      -5.535117     -4.891586      5.403061
  N      -6.637613     -5.287975      6.529632
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.549362481699
  N      -2.581035     -3.618980      2.686022
  C      -1.929068     -4.624405      1.847312
  C      -2.296395     -6.028596      2.297187
  N      -3.713881     -6.068927      2.685036
  C      -4.601238     -5.963396      1.521466
  C      -6.000192     -5.531100      1.943959
  N      -5.971797     -4.498508      2.980805
  Mo     -4.070331     -4.367026      3.910775
  N      -3.162106     -5.641511      5.236183
  C      -3.283795     -7.048215      4.875964
  C      -4.005843     -7.226918      3.533756
  H      -3.847864     -7.623232      5.639168
  H      -2.295690     -7.541350      4.796723
  H      -5.090930     -7.258531      3.691066
  H      -3.696849     -8.175450      3.055473
  H      -6.499824     -5.178963      1.022753
  H      -6.570812     -6.424211      2.275917
  H      -4.184657     -5.186469      0.870099
  H      -4.647336     -6.914073      0.958876
  H      -0.826251     -4.554722      1.901910
  H      -2.184587     -4.502260      0.775855
  H      -1.710513     -6.264528      3.190163
  H      -2.067438     -6.771794      1.511803
  C      -2.403523     -2.266272      2.113186
  C      -0.951553     -1.969673      1.661533
  C       0.118933     -2.088267      2.746587
  C       1.511178     -1.821691      2.167298
  C       2.643102     -2.055280      3.154366
  Cl      2.882231     -3.814920      3.479961
  C      -2.857466     -1.220453      3.140100
  C      -2.960097      0.210654      2.617508
  C      -3.942929      0.267759      1.447065
  C      -3.516434     -0.701625      0.345464
  C      -3.358113     -2.122415      0.889207
  C      -7.373397     -4.226657      3.424276
  C      -7.982986     -5.378898      4.375316
  C      -7.057650     -5.650344      5.539537
  C      -7.188921     -7.117279      6.245016
  C      -8.536591     -7.235507      6.918124
  Cl     -8.735562     -8.852655      7.711994
  C      -7.441738     -2.895866      4.206230
  C      -7.042990     -1.702901      3.327443
  C      -8.009796     -1.574497      2.147921
  C      -8.022578     -2.880660      1.348298
  C      -8.381293     -4.062221      2.256586
  C      -2.487563     -5.403630      6.529960
  C      -3.581754     -5.510255      7.631525
  C      -3.271042     -5.100829      9.067803
  C      -4.533977     -5.261184      9.924398
  C      -4.335098     -4.864318     11.378653
  Cl     -3.188699     -5.973070     12.227817
  C      -1.358406     -6.413487      6.854699
  C      -0.127457     -6.160341      5.984461
  C       0.555406     -4.842128      6.398362
  C      -0.438274     -3.906664      7.103126
  C      -1.838686     -3.986258      6.489758
  H      -0.689032     -2.638716      0.830239
  H      -0.921517     -0.949707      1.257869
  H       0.087185     -3.089093      3.194916
  H      -0.072145     -1.360699      3.547245
  H       1.674378     -2.455014      1.284229
  H       1.571339     -0.772401      1.839900
  H       2.439212     -1.589678      4.124414
  H       3.600330     -1.695839      2.764289
  H      -3.856840     -1.537368      3.438708
  H      -2.190121     -1.263925      4.011823
  H      -1.978338      0.590820      2.300419
  H      -3.310513      0.863150      3.429946
  H      -3.998679      1.289614      1.046010
  H      -4.948682     -0.013053      1.806227
  H      -2.572689     -0.357689     -0.102463
  H      -4.267290     -0.710501     -0.458133
  H      -3.011662     -2.770903      0.072120
  H      -4.338618     -2.497574      1.221294
  H      -8.985085     -5.046201      4.691097
  H      -8.115494     -6.317843      3.823712
  H      -7.258012     -4.553309      6.645457
  H      -5.932793     -5.636289      5.153563
  H      -6.408021     -7.298474      6.984993
  H      -7.102558     -7.889519      5.446258
  H      -9.364627     -7.143373      6.209342
  H      -8.631386     -6.486639      7.718123
  H      -6.802689     -2.974026      5.087597
  H      -8.477318     -2.755427      4.550310
  H      -7.038647     -0.774882      3.917837
  H      -6.029381     -1.878377      2.931671
  H      -7.711930     -0.736982      1.501250
  H      -9.024195     -1.365631      2.520895
  H      -7.025552     -3.037322      0.912830
  H      -8.745732     -2.817737      0.522723
  H      -8.469062     -4.985044      1.669407
  H      -9.369955     -3.877979      2.702067
  H      -4.430894     -4.916710      7.284513
  H      -3.903135     -6.562958      7.646326
  H      -2.477392     -5.726591      9.496551
  H      -2.927322     -4.057133      9.108348
  H      -4.876671     -6.303885      9.878219
  H      -5.341583     -4.627958      9.518724
  H      -3.904012     -3.861389     11.466863
  H      -5.270960     -4.917180     11.943663
  H      -1.714175     -7.444515      6.747984
  H      -1.072806     -6.294761      7.907479
  H      -0.441191     -6.094058      4.933629
  H       0.578703     -6.997840      6.062598
  H       1.398991     -5.047570      7.071609
  H       0.965260     -4.348889      5.509162
  H      -0.077009     -2.870676      7.038129
  H      -0.490993     -4.158933      8.171016
  H      -2.478381     -3.275091      7.029498
  H      -1.792264     -3.688633      5.431216
  N      -4.379990     -2.638393      5.219077
  H      -3.520968     -2.111868      5.396395
  H      -4.745129     -2.909516      6.137922
  H      -5.046122     -1.957283      4.844171
  N      -5.535222     -4.876195      5.426010
  N      -6.657049     -5.270667      6.576084
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.615992202263
  N      -2.578082     -3.619802      2.690210
  C      -1.925429     -4.626031      1.848995
  C      -2.289928     -6.029564      2.299630
  N      -3.709350     -6.069939      2.691447
  C      -4.601968     -5.964316      1.527519
  C      -6.001247     -5.533275      1.949626
  N      -5.976294     -4.497348      2.986719
  Mo     -4.068267     -4.361532      3.920335
  N      -3.147380     -5.635147      5.238308
  C      -3.265508     -7.044386      4.881176
  C      -3.995948     -7.228845      3.544731
  H      -3.823652     -7.619648      5.648801
  H      -2.275747     -7.534627      4.799027
  H      -5.081224     -7.263512      3.706406
  H      -3.686824     -8.177592      3.066303
  H      -6.500887     -5.183904      1.026883
  H      -6.571753     -6.426560      2.282731
  H      -4.185365     -5.187565      0.874648
  H      -4.646917     -6.915861      0.965846
  H      -0.822143     -4.555022      1.900481
  H      -2.183566     -4.502995      0.778143
  H      -1.702556     -6.266357      3.192240
  H      -2.063173     -6.773966      1.514451
  C      -2.400721     -2.265575      2.109546
  C      -0.949865     -1.974204      1.653329
  C       0.123978     -2.090201      2.734940
  C       1.515770     -1.829601      2.151641
  C       2.651800     -2.061567      3.134023
  Cl      2.891110     -3.822139      3.467153
  C      -2.851728     -1.212812      3.131110
  C      -2.956791      0.215610      2.599864
  C      -3.943314      0.265014      1.431203
  C      -3.518899     -0.710730      0.333620
  C      -3.357992     -2.128704      0.886141
  C      -7.383682     -4.225353      3.427922
  C      -8.007472     -5.375368      4.376989
  C      -7.092094     -5.655328      5.539494
  C      -7.232395     -7.133327      6.245499
  C      -8.584075     -7.234195      6.910089
  Cl     -8.813267     -8.852803      7.702511
  C      -7.451020     -2.892395      4.207020
  C      -7.045308     -1.700468      3.328550
  C      -8.004742     -1.572219      2.142080
  C      -8.016229     -2.880476      1.344106
  C      -8.382450     -4.060290      2.252715
  C      -2.468985     -5.395197      6.533854
  C      -3.561196     -5.518592      7.634359
  C      -3.261372     -5.116927      9.075373
  C      -4.529251     -5.301467      9.920813
  C      -4.353555     -4.913816     11.380235
  Cl     -3.198611     -6.011151     12.237519
  C      -1.332238     -6.398859      6.850250
  C      -0.102685     -6.132934      5.981486
  C       0.570380     -4.810927      6.404814
  C      -0.431103     -3.886200      7.115630
  C      -1.831642     -3.971203      6.501598
  H      -0.690515     -2.648313      0.823662
  H      -0.919697     -0.955611      1.242856
  H       0.090211     -3.089996      3.187703
  H      -0.062905     -1.358777      3.534898
  H       1.675072     -2.466711      1.269255
  H       1.577865     -0.780580      1.819519
  H       2.454018     -1.591564      4.104244
  H       3.608830     -1.705193      2.738743
  H      -3.851961     -1.526266      3.434241
  H      -2.182808     -1.251862      4.003451
  H      -1.975232      0.595846      2.277746
  H      -3.305322      0.873033      3.410415
  H      -4.002466      1.285468      1.024515
  H      -4.948587     -0.015585      1.795836
  H      -2.576033     -0.367473     -0.119585
  H      -4.272028     -0.725308     -0.468968
  H      -3.013088     -2.784142      0.072635
  H      -4.338832     -2.501932      1.222513
  H      -9.010743     -5.034386      4.685442
  H      -8.142137     -6.314860      3.825238
  H      -7.291373     -4.504975      6.689819
  H      -5.948568     -5.660174      5.156791
  H      -6.455811     -7.323139      6.987968
  H      -7.151382     -7.906484      5.445467
  H      -9.409327     -7.128146      6.198813
  H      -8.669258     -6.485167      7.712355
  H      -6.816541     -2.971664      5.093375
  H      -8.489177     -2.748403      4.545691
  H      -7.041812     -0.771293      3.919003
  H      -6.028930     -1.875819      2.936914
  H      -7.701904     -0.734899      1.495666
  H      -9.021974     -1.360616      2.509204
  H      -7.016199     -3.040576      0.913804
  H      -8.734588     -2.817295      0.513244
  H      -8.468869     -4.984988      1.666457
  H      -9.374223     -3.873501      2.692806
  H      -4.416207     -4.932079      7.289566
  H      -3.873476     -6.575502      7.640639
  H      -2.461523     -5.735421      9.506507
  H      -2.930155     -4.068065      9.125710
  H      -4.856687     -6.349551      9.862498
  H      -5.344487     -4.677875      9.511328
  H      -3.939408     -3.904107     11.482494
  H      -5.295208     -4.985414     11.934923
  H      -1.682383     -7.432205      6.738573
  H      -1.047809     -6.283786      7.905069
  H      -0.417009     -6.063291      4.929785
  H       0.609948     -6.966450      6.054108
  H       1.415866     -5.014729      7.077647
  H       0.978393     -4.308149      5.519119
  H      -0.076864     -2.846290      7.058695
  H      -0.483053     -4.145882      8.182908
  H      -2.478469     -3.267441      7.045367
  H      -1.787183     -3.664437      5.444911
  N      -4.370473     -2.617017      5.239372
  H      -3.509757     -2.091122      5.413451
  H      -4.732213     -2.890859      6.158606
  H      -5.037535     -1.932851      4.869578
  N      -5.537017     -4.860385      5.450705
  N      -6.676724     -5.250859      6.621793
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.663089778337
  N      -2.577310     -3.621403      2.695725
  C      -1.923700     -4.628087      1.852394
  C      -2.284592     -6.030954      2.303777
  N      -3.705311     -6.071618      2.699400
  C      -4.602773     -5.966166      1.535490
  C      -6.002246     -5.536530      1.956539
  N      -5.980907     -4.497065      2.992818
  Mo     -4.067986     -4.356458      3.931139
  N      -3.132359     -5.628217      5.240331
  C      -3.245709     -7.039794      4.887162
  C      -3.985501     -7.230712      3.557624
  H      -3.796896     -7.615227      5.659825
  H      -2.254178     -7.526502      4.801943
  H      -5.070661     -7.268857      3.723990
  H      -3.676043     -8.179470      3.079024
  H      -6.501688     -5.190597      1.032019
  H      -6.572832     -6.429620      2.291070
  H      -4.185803     -5.190024      0.881141
  H      -4.645889     -6.918669      0.975027
  H      -0.820161     -4.555010      1.900501
  H      -2.184722     -4.504145      0.782387
  H      -1.696026     -6.268740      3.195901
  H      -2.060250     -6.776694      1.519080
  C      -2.400811     -2.266185      2.106264
  C      -0.951182     -1.981056      1.645012
  C       0.126138     -2.094795      2.722794
  C       1.517414     -1.841537      2.135316
  C       2.657298     -2.072743      3.112748
  Cl      2.895043     -3.834421      3.453591
  C      -2.848429     -1.205732      3.121797
  C      -2.955292      0.219360      2.580003
  C      -3.944951      0.261082      1.413037
  C      -3.522984     -0.722409      0.320894
  C      -3.360401     -2.137152      0.883174
  C      -7.391942     -4.223146      3.432580
  C      -8.029226     -5.368279      4.379204
  C      -7.123977     -5.659215      5.539267
  C      -7.276367     -7.146660      6.238874
  C      -8.632427     -7.227821      6.894341
  Cl     -8.895668     -8.847728      7.683698
  C      -7.456312     -2.887735      4.207683
  C      -7.043041     -1.698240      3.329235
  C      -7.994328     -1.569355      2.135696
  C      -8.006295     -2.879903      1.340332
  C      -8.381226     -4.056829      2.249640
  C      -2.451122     -5.385549      6.538170
  C      -3.540706     -5.530033      7.637033
  C      -3.250773     -5.136781      9.082794
  C      -4.520438     -5.349161      9.919634
  C      -4.365943     -4.971265     11.383394
  Cl     -3.197673     -6.054063     12.246038
  C      -1.304737     -6.380616      6.845237
  C      -0.076951     -6.097650      5.979417
  C       0.582265     -4.771006      6.414476
  C      -0.429641     -3.860723      7.131576
  C      -1.829485     -3.953914      6.515822
  H      -0.695673     -2.660508      0.817363
  H      -0.920576     -0.964484      1.226922
  H       0.089494     -3.093186      3.180149
  H      -0.055779     -1.359650      3.521965
  H       1.672161     -2.482353      1.253710
  H       1.582496     -0.793212      1.798166
  H       2.466473     -1.598216      4.082977
  H       3.614295     -1.720520      2.712275
  H      -3.849636     -1.514907      3.430147
  H      -2.178423     -1.239534      3.994758
  H      -1.973854      0.598487      2.252688
  H      -3.301338      0.882738      3.387757
  H      -4.006879      1.279582      0.999979
  H      -4.949540     -0.017831      1.782920
  H      -2.580816     -0.380961     -0.137430
  H      -4.277848     -0.742784     -0.480864
  H      -3.017278     -2.800315      0.074179
  H      -4.341652     -2.507816      1.223626
  H      -9.032865     -5.018499      4.680708
  H      -8.166707     -6.307280      3.825877
  H      -7.320196     -4.456191      6.732710
  H      -5.961422     -5.683378      5.160205
  H      -6.504026     -7.345953      6.983646
  H      -7.201650     -7.919763      5.438499
  H      -9.454223     -7.105652      6.180820
  H      -8.707216     -6.480067      7.699525
  H      -6.826298     -2.968291      5.098569
  H      -8.496540     -2.739020      4.541268
  H      -7.039191     -0.767836      3.919257
  H      -6.024394     -1.874774      2.942328
  H      -7.685639     -0.733089      1.489269
  H      -9.013888     -1.353397      2.496669
  H      -7.003778     -3.045111      0.915349
  H      -8.719464     -2.815923      0.504202
  H      -8.467510     -4.983531      1.665091
  H      -9.375741     -3.866219      2.684124
  H      -4.403698     -4.953011      7.295144
  H      -3.841532     -6.591407      7.633841
  H      -2.442521     -5.745818      9.514498
  H      -2.935207     -4.082372      9.143229
  H      -4.829767     -6.402891      9.849407
  H      -5.345799     -4.738134      9.508330
  H      -3.971898     -3.954232     11.499509
  H      -5.311361     -5.064557     11.929520
  H      -1.646805     -7.416645      6.727428
  H      -1.022674     -6.269944      7.902244
  H      -0.391189     -6.024114      4.926947
  H       0.644156     -6.925148      6.045779
  H       1.429521     -4.971801      7.087137
  H       0.987927     -4.256516      5.533689
  H      -0.085030     -2.816294      7.084644
  H      -0.481054     -4.129129      8.197622
  H      -2.485611     -3.260245      7.063504
  H      -1.787138     -3.636374      5.461678
  N      -4.361582     -2.592437      5.260523
  H      -3.499025     -2.067602      5.430502
  H      -4.719489     -2.869000      6.179843
  H      -5.029466     -1.905496      4.895724
  N      -5.540640     -4.844571      5.476534
  N      -6.695868     -5.228316      6.665464
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.696272166087
  N      -2.579258     -3.623859      2.702541
  C      -1.924505     -4.630648      1.857594
  C      -2.281104     -6.032865      2.309731
  N      -3.702387     -6.074157      2.708916
  C      -4.603876     -5.969261      1.545416
  C      -6.003308     -5.541034      1.964626
  N      -5.985320     -4.497880      2.998714
  Mo     -4.069801     -4.352323      3.943069
  N      -3.117493     -5.621207      5.242275
  C      -3.225252     -7.034842      4.893925
  C      -3.975380     -7.232566      3.572386
  H      -3.768587     -7.610282      5.672213
  H      -2.232031     -7.517730      4.805325
  H      -5.060108     -7.274314      3.743778
  H      -3.665625     -8.181224      3.093516
  H      -6.502298     -5.199225      1.038056
  H      -6.574323     -6.433446      2.300919
  H      -4.186043     -5.194287      0.889624
  H      -4.644520     -6.922821      0.986421
  H      -0.820946     -4.554774      1.902008
  H      -2.188738     -4.505930      0.788641
  H      -1.691562     -6.271776      3.201161
  H      -2.059433     -6.780037      1.525696
  C      -2.404639     -2.268303      2.103544
  C      -0.956196     -1.990297      1.636876
  C       0.124577     -2.102471      2.710659
  C       1.515341     -1.857896      2.119050
  C       2.658506     -2.089679      3.091608
  Cl      2.892313     -3.852622      3.439829
  C      -2.848133     -1.199541      3.112451
  C      -2.955682      0.221576      2.558436
  C      -3.947783      0.256100      1.393014
  C      -3.529003     -0.736589      0.307728
  C      -3.366139     -2.147697      0.880600
  C      -7.397563     -4.219784      3.437595
  C      -8.047261     -5.357500      4.381037
  C      -7.151320     -5.662683      5.538301
  C      -7.318910     -7.156590      6.223628
  C      -8.679290     -7.216043      6.870361
  Cl     -8.979396     -8.836845      7.654631
  C      -7.456923     -2.881580      4.207753
  C      -7.035321     -1.695891      3.329222
  C      -7.977484     -1.565348      2.128440
  C      -7.992027     -2.878254      1.336564
  C      -8.377146     -4.051168      2.246713
  C      -2.435025     -5.375179      6.543056
  C      -3.521078     -5.545113      7.639903
  C      -3.239264     -5.160377      9.090043
  C      -4.506533     -5.403851      9.922116
  C      -4.369411     -5.035318     11.389093
  Cl     -3.182118     -6.099646     12.253379
  C      -1.276566     -6.358790      6.839931
  C      -0.051253     -6.053729      5.978604
  C       0.589397     -4.721549      6.427531
  C      -0.435693     -3.829985      7.151036
  C      -1.833783     -3.935021      6.532427
  H      -0.705212     -2.675066      0.811485
  H      -0.924695     -0.976366      1.210664
  H       0.084140     -3.099166      3.172525
  H      -0.051740     -1.364047      3.509109
  H       1.664946     -2.502044      1.238191
  H       1.584663     -0.810703      1.776812
  H       2.475256     -1.610774      4.061705
  H       3.615782     -1.742793      2.686292
  H      -3.850279     -1.503433      3.426740
  H      -2.177510     -1.227411      3.985919
  H      -1.974144      0.597977      2.225902
  H      -3.298360      0.892025      3.362449
  H      -4.011422      1.272105      0.972948
  H      -4.951686     -0.019207      1.767751
  H      -2.587218     -0.398485     -0.155440
  H      -4.284991     -0.762479     -0.493426
  H      -3.025232     -2.819215      0.076949
  H      -4.347896     -2.515032      1.224857
  H      -9.050301     -4.998423      4.676303
  H      -8.188483     -6.294695      3.824388
  H      -7.342070     -4.408167      6.772916
  H      -5.970323     -5.706575      5.163278
  H      -6.550507     -7.365961      6.970258
  H      -7.251446     -7.928590      5.423547
  H      -9.497126     -7.075727      6.155216
  H      -8.742994     -6.471296      7.679374
  H      -6.831353     -2.963627      5.102635
  H      -8.498653     -2.726950      4.536582
  H      -7.029869     -0.764211      3.918299
  H      -6.014835     -1.875222      2.948009
  H      -7.661837     -0.731092      1.481829
  H      -8.998781     -1.343191      2.482853
  H      -6.987629     -3.050426      0.917073
  H      -8.699548     -2.812677      0.495199
  H      -8.464734     -4.979842      1.664536
  H      -9.374000     -3.855363      2.675294
  H      -4.394322     -4.980451      7.301709
  H      -3.807881     -6.611131      7.626759
  H      -2.420026     -5.757310      9.519929
  H      -2.942755     -4.100165      9.160362
  H      -4.795025     -6.463364      9.841148
  H      -5.344793     -4.808760      9.511456
  H      -3.998465     -4.010570     11.517743
  H      -5.315789     -5.152956     11.929564
  H      -1.607537     -7.397927      6.714821
  H      -0.998050     -6.253303      7.899203
  H      -0.364866     -5.975852      4.925557
  H       0.680728     -6.872661      6.037935
  H       1.438413     -4.917494      7.100188
  H       0.991772     -4.193110      5.552988
  H      -0.103827     -2.780456      7.115863
  H      -0.486561     -4.108217      8.215212
  H      -2.501565     -3.254403      7.083634
  H      -1.793782     -3.605422      5.481507
  N      -4.353705     -2.565724      5.281795
  H      -3.489118     -2.042580      5.446852
  H      -4.707422     -2.845223      6.200979
  H      -5.022321     -1.876491      4.921615
  N      -5.545886     -4.829890      5.502373
  N      -6.713008     -5.203558      6.705301
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.719918580431
  N      -2.584186     -3.626907      2.710125
  C      -1.928087     -4.633522      1.864112
  C      -2.279799     -6.035169      2.317096
  N      -3.701030     -6.077672      2.719568
  C      -4.605445     -5.974004      1.556710
  C      -6.004563     -5.547069      1.973427
  N      -5.989088     -4.500003      3.003776
  Mo     -4.073695     -4.349566      3.955556
  N      -3.103027     -5.614601      5.243996
  C      -3.205186     -7.030030      4.901214
  C      -3.966476     -7.234521      3.588540
  H      -3.740031     -7.605245      5.685589
  H      -2.210580     -7.509338      4.808693
  H      -5.050510     -7.279627      3.765302
  H      -3.656786     -8.183141      3.109281
  H      -6.503006     -5.210095      1.044566
  H      -6.576352     -6.438327      2.311970
  H      -4.186305     -5.200788      0.899403
  H      -4.643098     -6.928751      0.999411
  H      -0.824713     -4.554210      1.904534
  H      -2.195851     -4.508419      0.796319
  H      -1.689228     -6.275169      3.207549
  H      -2.060944     -6.783768      1.533754
  C      -2.412743     -2.271679      2.101323
  C      -0.965134     -2.001330      1.629471
  C       0.118381     -2.113205      2.699897
  C       1.509085     -1.878565      2.105273
  C       2.654073     -2.112966      3.074076
  Cl      2.880582     -3.877409      3.428756
  C      -2.851349     -1.194320      3.103246
  C      -2.957996      0.222383      2.536080
  C      -3.951652      0.250730      1.371835
  C      -3.536998     -0.752337      0.294499
  C      -3.375637     -2.159545      0.878417
  C      -7.400194     -4.215213      3.442235
  C      -8.060604     -5.343625      4.381834
  C      -7.172019     -5.666805      5.535978
  C      -7.357345     -7.162712      6.199536
  C      -8.721327     -7.199458      6.839462
  Cl     -9.058874     -8.820513      7.616820
  C      -7.452739     -2.873844      4.206874
  C      -7.022335     -1.692973      3.328201
  C      -7.954676     -1.559876      2.120230
  C      -7.973976     -2.875109      1.332520
  C      -8.370442     -4.043052      2.243577
  C      -2.421377     -5.365008      6.548355
  C      -3.502923     -5.563422      7.643183
  C      -3.226680     -5.186640      9.096865
  C      -4.487225     -5.462501      9.928452
  C      -4.362511     -5.101641     11.397384
  Cl     -3.151473     -6.143753     12.259789
  C      -1.248643     -6.334630      6.833994
  C      -0.026945     -6.002541      5.978308
  C       0.591042     -4.664435      6.442969
  C      -0.449185     -3.795663      7.173347
  C      -1.844432     -3.915966      6.550986
  H      -0.718997     -2.690978      0.806325
  H      -0.931882     -0.990426      1.195219
  H       0.072956     -3.108149      3.165831
  H      -0.052319     -1.372286      3.497903
  H       1.653528     -2.525348      1.224966
  H       1.584334     -0.832814      1.758336
  H       2.478129     -1.630171      4.043926
  H       3.612395     -1.772700      2.665201
  H      -3.854322     -1.491904      3.423923
  H      -2.180537     -1.215978      3.977098
  H      -1.975918      0.594261      2.198685
  H      -3.296362      0.900863      3.335570
  H      -4.015546      1.263873      0.944418
  H      -4.955210     -0.018914      1.750748
  H      -2.595099     -0.419289     -0.173041
  H      -4.293449     -0.782987     -0.506398
  H      -3.037456     -2.839729      0.080647
  H      -4.358062     -2.522765      1.226055
  H      -9.061944     -4.974923      4.672377
  H      -8.206855     -6.277608      3.820115
  H      -7.354443     -4.362246      6.808605
  H      -5.974243     -5.730689      5.165296
  H      -6.592098     -7.382111      6.947338
  H      -7.298005     -7.932889      5.400039
  H      -9.535164     -7.039811      6.123749
  H      -8.773476     -6.459393      7.653230
  H      -6.831419     -2.957475      5.105124
  H      -8.495368     -2.712441      4.531531
  H      -7.014203     -0.759954      3.915850
  H      -6.000338     -1.876599      2.953613
  H      -7.631162     -0.728506      1.473270
  H      -8.977077     -1.329850      2.467884
  H      -6.968402     -3.055929      0.918364
  H      -8.675674     -2.807118      0.486161
  H      -8.460894     -4.973559      1.664245
  H      -9.369166     -3.840859      2.666210
  H      -4.387964     -5.013364      7.309400
  H      -3.774199     -6.633966      7.620485
  H      -2.394303     -5.769160      9.522489
  H      -2.951665     -4.120725      9.176180
  H      -4.753405     -6.527630      9.838933
  H      -5.340382     -4.886192      9.520508
  H      -4.016337     -4.069217     11.536017
  H      -5.306878     -5.244753     11.935608
  H      -1.565731     -7.377138      6.700344
  H      -0.974273     -6.235442      7.895493
  H      -0.339939     -5.919602      4.924993
  H       0.718092     -6.810423      6.029522
  H       1.442054     -4.853947      7.115427
  H       0.988789     -4.120024      5.575725
  H      -0.132891     -2.740691      7.151337
  H      -0.499086     -4.084640      8.235083
  H      -2.525741     -3.250994      7.105237
  H      -1.806962     -3.573534      5.503874
  N      -4.347826     -2.538548      5.301975
  H      -3.481169     -2.017578      5.461650
  H      -4.697148     -2.821593      6.220837
  H      -5.017325     -1.847910      4.945664
  N      -5.552212     -4.817875      5.526579
  N      -6.726078     -5.177402      6.739186
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.737285336613
  N      -2.591922     -3.630211      2.717737
  C      -1.934215     -4.636432      1.871144
  C      -2.280538     -6.037620      2.325178
  N      -3.701337     -6.082165      2.730638
  C      -4.607469     -5.980719      1.568336
  C      -6.006109     -5.554897      1.982092
  N      -5.991887     -4.503561      3.007202
  Mo     -4.079443     -4.348471      3.967787
  N      -3.088848     -5.608694      5.245290
  C      -3.186180     -7.025755      4.908594
  C      -3.959243     -7.236738      3.605290
  H      -3.712025     -7.600603      5.699354
  H      -2.190640     -7.502082      4.811277
  H      -5.042383     -7.284752      3.787837
  H      -3.650209     -8.185513      3.125538
  H      -6.504142     -5.223470      1.050775
  H      -6.578849     -6.444649      2.323490
  H      -4.186811     -5.209756      0.909300
  H      -4.641722     -6.936808      1.012946
  H      -0.831174     -4.553284      1.907419
  H      -2.205666     -4.511548      0.804471
  H      -1.688560     -6.278378      3.214340
  H      -2.064394     -6.787500      1.542409
  C      -2.424886     -2.275820      2.099701
  C      -0.977433     -2.013288      1.623619
  C       0.107539     -2.127364      2.691909
  C       1.499014     -1.903671      2.096225
  C       2.643840     -2.144064      3.062855
  Cl      2.858791     -3.910582      3.421413
  C      -2.857866     -1.190265      3.095002
  C      -2.961593      0.222139      2.515225
  C      -3.955811      0.246242      1.351590
  C      -3.546405     -0.767568      0.282412
  C      -3.388634     -2.171043      0.876887
  C      -7.400080     -4.209762      3.445593
  C      -8.068993     -5.327962      4.381063
  C      -7.185137     -5.672805      5.531332
  C      -7.389943     -7.165197      6.167788
  C      -8.756175     -7.179437      6.804307
  Cl     -9.129224     -8.799814      7.574002
  C      -7.444731     -2.865011      4.204615
  C      -7.005840     -1.689277      3.325727
  C      -7.928322     -1.553253      2.111012
  C      -7.954091     -2.870697      1.327826
  C      -8.362145     -4.033022      2.239937
  C      -2.410168     -5.355677      6.553687
  C      -3.486120     -5.583709      7.646956
  C      -3.212679     -5.213572      9.103036
  C      -4.462948     -5.520857      9.937965
  C      -4.345772     -5.164784     11.407640
  Cl     -3.108337     -6.181737     12.265739
  C      -1.221342     -6.309207      6.826819
  C      -0.004835     -5.945794      5.977241
  C       0.587549     -4.602070      6.459271
  C      -0.468767     -3.759613      7.197365
  C      -1.860207     -3.897855      6.570646
  H      -0.736181     -2.706725      0.802132
  H      -0.941053     -1.005266      1.182491
  H       0.055589     -3.121031      3.160609
  H      -0.057853     -1.385330      3.490348
  H       1.638512     -2.551711      1.215733
  H       1.582276     -0.859298      1.746017
  H       2.474440     -1.658674      4.032746
  H       3.604312     -1.811615      2.652422
  H      -3.861579     -1.480689      3.422034
  H      -2.187171     -1.206347      3.969138
  H      -1.978326      0.587807      2.173824
  H      -3.294741      0.909020      3.309938
  H      -4.018182      1.256567      0.917187
  H      -4.959689     -0.015873      1.733678
  H      -2.603744     -0.441165     -0.188797
  H      -4.302741     -0.801467     -0.518635
  H      -3.053797     -2.859627      0.084893
  H      -4.371980     -2.529423      1.227318
  H      -9.067444     -4.949524      4.669434
  H      -8.222027     -6.257499      3.812987
  H      -7.355843     -4.319342      6.836890
  H      -5.973055     -5.756964      5.165235
  H      -6.626759     -7.393892      6.916061
  H      -7.339544     -7.933535      5.369104
  H      -9.566566     -7.000546      6.089382
  H      -8.796337     -6.445095      7.623305
  H      -6.827203     -2.950100      5.105559
  H      -8.487715     -2.696713      4.526010
  H      -6.994471     -0.754868      3.911595
  H      -5.982540     -1.877998      2.958279
  H      -7.596670     -0.725334      1.463529
  H      -8.951254     -1.314387      2.452126
  H      -6.948087     -3.061197      0.918341
  H      -8.650309     -2.799772      0.477035
  H      -8.456824     -4.965190      1.663711
  H      -9.362222     -3.823786      2.657048
  H      -4.383480     -5.049427      7.318130
  H      -3.741538     -6.658349      7.616053
  H      -2.365831     -5.780052      9.522366
  H      -2.960204     -4.142361      9.189877
  H      -4.706850     -6.591192      9.842791
  H      -5.331726     -4.965095      9.533871
  H      -4.024460     -4.125086     11.552836
  H      -5.285631     -5.332694     11.946740
  H      -1.522274     -7.355132      6.683360
  H      -0.950806     -6.217686      7.890363
  H      -0.317843     -5.856655      4.924014
  H       0.754943     -6.740486      6.018922
  H       1.441033     -4.784116      7.130959
  H       0.979039     -4.040068      5.600113
  H      -0.170284     -2.699127      7.189493
  H      -0.516885     -4.060124      8.256190
  H      -2.556212     -3.250460      7.127471
  H      -1.825437     -3.542441      5.527731
  N      -4.345410     -2.512745      5.319819
  H      -3.476949     -1.993970      5.474277
  H      -4.690321     -2.800346      6.238100
  H      -5.016283     -1.822034      4.966308
  N      -5.559395     -4.810371      5.547174
  N      -6.733488     -5.150713      6.764706
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.750622908095
  N      -2.601906     -3.633728      2.724805
  C      -1.942494     -4.639344      1.877790
  C      -2.283182     -6.040237      2.333009
  N      -3.703348     -6.087627      2.741190
  C      -4.610028     -5.989302      1.579052
  C      -6.008129     -5.564225      1.989603
  N      -5.993574     -4.508372      3.008390
  Mo     -4.086619     -4.349401      3.979153
  N      -3.074814     -5.604256      5.245960
  C      -3.168992     -7.022810      4.915393
  C      -3.954134     -7.239515      3.621451
  H      -3.685649     -7.597329      5.712517
  H      -2.173115     -7.497126      4.812145
  H      -5.036261     -7.289702      3.810154
  H      -3.646646     -8.188703      3.141034
  H      -6.506065     -5.238777      1.055839
  H      -6.581871     -6.452267      2.334373
  H      -4.187800     -5.220880      0.918116
  H      -4.640708     -6.946799      1.025665
  H      -0.839863     -4.552439      1.909924
  H      -2.217590     -4.515179      0.812102
  H      -1.689274     -6.281385      3.220549
  H      -2.069515     -6.791035      1.550483
  C      -2.439918     -2.280351      2.099091
  C      -0.991758     -2.025151      1.620308
  C       0.093385     -2.144734      2.687637
  C       1.486373     -1.932132      2.092829
  C       2.629360     -2.182769      3.058336
  Cl      2.828917     -3.952268      3.416020
  C      -2.866693     -1.187735      3.088977
  C      -2.965289      0.221103      2.498579
  C      -3.959012      0.243689      1.334815
  C      -3.555943     -0.780273      0.273037
  C      -3.403932     -2.180704      0.876537
  C      -7.397785     -4.203914      3.447029
  C      -8.072852     -5.312168      4.378395
  C      -7.190920     -5.682189      5.523132
  C      -7.416406     -7.165645      6.130063
  C      -8.783035     -7.158579      6.767695
  Cl     -9.187707     -8.777210      7.530180
  C      -7.434236     -2.856042      4.201070
  C      -6.988107     -1.684889      3.322066
  C      -7.901572     -1.545896      2.101542
  C      -7.934800     -2.865198      1.322618
  C      -8.353536     -4.021813      2.235854
  C      -2.401144     -5.347965      6.558538
  C      -3.470451     -5.604508      7.651084
  C      -3.197408     -5.238481      9.108281
  C      -4.435117     -5.573798      9.949701
  C      -4.321329     -5.218330     11.418883
  Cl     -3.057215     -6.208265     12.271914
  C      -1.194929     -6.283577      6.818511
  C       0.014710     -5.886097      5.974885
  C       0.579737     -4.537318      6.474966
  C      -0.492873     -3.723469      7.221087
  C      -1.879658     -3.881729      6.589565
  H      -0.755176     -2.720586      0.799225
  H      -0.950809     -1.019257      1.174617
  H       0.033736     -3.138051      3.156943
  H      -0.067109     -1.403542      3.488037
  H       1.621094     -2.579274      1.210745
  H       1.579382     -0.888612      1.741913
  H       2.465776     -1.697136      4.029192
  H       3.592898     -1.858686      2.648351
  H      -3.871138     -1.470462      3.421746
  H      -2.196332     -1.199868      3.963380
  H      -1.980084      0.579246      2.154482
  H      -3.292536      0.916024      3.288862
  H      -4.017944      1.251661      0.894525
  H      -4.964022     -0.009471      1.718769
  H      -2.611810     -0.461728     -0.200890
  H      -4.311682     -0.815273     -0.528599
  H      -3.073030     -2.876824      0.089560
  H      -4.388510     -2.533711      1.229001
  H      -9.067107     -4.924078      4.668280
  H      -8.235041     -6.236169      3.803135
  H      -7.345595     -4.280501      6.854519
  H      -5.967383     -5.787186      5.161758
  H      -6.654139     -7.402811      6.878065
  H      -7.375956     -7.932664      5.332483
  H      -9.591167     -6.961463      6.055231
  H      -8.810265     -6.430232      7.591849
  H      -6.819757     -2.942483      5.103976
  H      -8.477110     -2.681569      4.520479
  H      -6.973515     -0.749215      3.906187
  H      -5.963667     -1.878479      2.961531
  H      -7.562310     -0.721454      1.453524
  H      -8.924562     -1.298172      2.436902
  H      -6.929115     -3.065486      0.916571
  H      -8.626460     -2.791077      0.468316
  H      -8.453411     -4.955373      1.662639
  H      -9.354396     -3.805626      2.648470
  H      -4.379707     -5.086192      7.327225
  H      -3.710529     -6.682662      7.614429
  H      -2.335732     -5.788029      9.520139
  H      -2.967066     -4.162555      9.200382
  H      -4.658264     -6.648796      9.852546
  H      -5.318940     -5.039022      9.549579
  H      -4.023407     -4.171963     11.566449
  H      -5.254978     -5.408437     11.961421
  H      -1.477977     -7.332834      6.664536
  H      -0.927276     -6.200497      7.883766
  H      -0.299197     -5.790077      4.922054
  H       0.790259     -6.665909      6.006114
  H       1.436146     -4.711015      7.145359
  H       0.963422     -3.957100      5.624179
  H      -0.213786     -2.657642      7.227317
  H      -0.538292     -4.035562      8.276787
  H      -2.590941     -3.252790      7.148056
  H      -1.847646     -3.514389      5.550750
  N      -4.347164     -2.490339      5.335180
  H      -3.477349     -1.973480      5.485274
  H      -4.687779     -2.783831      6.252485
  H      -5.020024     -1.800866      4.983578
  N      -5.567380     -4.809823      5.562395
  N      -6.734005     -5.125077      6.779522
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.761401284887
  N      -2.613488     -3.637672      2.730937
  C      -1.952502     -4.642896      1.883864
  C      -2.287985     -6.043519      2.340720
  N      -3.707519     -6.093901      2.751237
  C      -4.613574     -5.999516      1.588558
  C      -6.011089     -5.574191      1.995528
  N      -5.994390     -4.513457      3.007065
  Mo     -4.095005     -4.351993      3.989525
  N      -3.061281     -5.601532      5.246539
  C      -3.155141     -7.021382      4.922047
  C      -3.952301     -7.242673      3.637056
  H      -3.662997     -7.595364      5.725307
  H      -2.159749     -7.495272      4.811821
  H      -5.033413     -7.293716      3.832061
  H      -3.647669     -8.192772      3.156062
  H      -6.509184     -5.255005      1.059354
  H      -6.586014     -6.460207      2.344288
  H      -4.189560     -5.234048      0.925464
  H      -4.640871     -6.958579      1.037500
  H      -0.850273     -4.552870      1.912090
  H      -2.230896     -4.520110      0.818911
  H      -1.691917     -6.284685      3.226522
  H      -2.076563     -6.795005      1.558227
  C      -2.456485     -2.285482      2.098889
  C      -1.006667     -2.035761      1.619857
  C       0.077015     -2.161279      2.687968
  C       1.472226     -1.957919      2.096527
  C       2.611602     -2.219787      3.062871
  Cl      2.795465     -3.992315      3.416997
  C      -2.877923     -1.186678      3.083851
  C      -2.969577      0.219116      2.484219
  C      -3.960967      0.241641      1.318784
  C      -3.563925     -0.792059      0.264290
  C      -3.419391     -2.189851      0.876034
  C      -7.394048     -4.197160      3.446130
  C      -8.073441     -5.296121      4.374133
  C      -7.190868     -5.694225      5.510986
  C      -7.438393     -7.164239      6.089680
  C      -8.803375     -7.137047      6.733340
  Cl     -9.235003     -8.752410      7.490782
  C      -7.422083     -2.846692      4.195973
  C      -6.970235     -1.679443      3.316698
  C      -7.876253     -1.537667      2.091632
  C      -7.917719     -2.858520      1.316617
  C      -8.345692     -4.009408      2.231340
  C      -2.393814     -5.342939      6.562972
  C      -3.455344     -5.625344      7.656025
  C      -3.180312     -5.261555      9.113366
  C      -4.404190     -5.620713      9.963693
  C      -4.290112     -5.262493     11.431483
  Cl     -3.000519     -6.225494     12.278590
  C      -1.170394     -6.260450      6.809265
  C       0.031066     -5.829132      5.970847
  C       0.569756     -4.476540      6.488612
  C      -0.517690     -3.691190      7.242976
  C      -1.899645     -3.869192      6.606928
  H      -0.773051     -2.731721      0.798477
  H      -0.960744     -1.031308      1.171491
  H       0.010215     -3.154602      3.156823
  H      -0.080695     -1.422060      3.490808
  H       1.604097     -2.602825      1.212260
  H       1.574864     -0.914844      1.746554
  H       2.451428     -1.735506      4.035025
  H       3.578698     -1.903093      2.655507
  H      -3.883274     -1.461701      3.420924
  H      -2.208647     -1.195952      3.959033
  H      -1.981673      0.569006      2.139272
  H      -3.291430      0.921773      3.269921
  H      -4.014780      1.247508      0.873122
  H      -4.968014     -0.001694      1.702683
  H      -2.617476     -0.482154     -0.210916
  H      -4.318102     -0.826891     -0.538836
  H      -3.091955     -2.892801      0.093774
  H      -4.405561     -2.537406      1.229343
  H      -9.061939     -4.898224      4.669930
  H      -8.248041     -6.213730      3.791599
  H      -7.323827     -4.243988      6.858285
  H      -5.958718     -5.821478      5.154388
  H      -6.676096     -7.409280      6.836732
  H      -7.409285     -7.931086      5.293988
  H      -9.610805     -6.923417      6.025066
  H      -8.816059     -6.413911      7.561709
  H      -6.809684     -2.934355      5.100066
  H      -8.464367     -2.666841      4.514912
  H      -6.952463     -0.742616      3.899138
  H      -5.944927     -1.877420      2.962220
  H      -7.530235     -0.716623      1.442940
  H      -8.898822     -1.281346      2.422411
  H      -6.913116     -3.068371      0.912475
  H      -8.606133     -2.781190      0.459949
  H      -8.451548     -4.944179      1.661074
  H      -9.346684     -3.786573      2.640881
  H      -4.375280     -5.121681      7.337396
  H      -3.681598     -6.706320      7.615837
  H      -2.304328     -5.794614      9.516637
  H      -2.970262     -4.181688      9.208954
  H      -4.609048     -6.699712      9.867595
  H      -5.301714     -5.105895      9.567798
  H      -4.013069     -4.210247     11.577952
  H      -5.216476     -5.471490     11.979505
  H      -1.435603     -7.312541      6.644394
  H      -0.904025     -6.186404      7.875754
  H      -0.284894     -5.725884      4.918895
  H       0.821869     -6.593807      5.991035
  H       1.429417     -4.642149      7.157064
  H       0.944765     -3.878763      5.645897
  H      -0.257767     -2.620663      7.262516
  H      -0.559450     -4.014430      8.295511
  H      -2.625325     -3.257966      7.166323
  H      -1.870316     -3.491637      5.571748
  N      -4.352905     -2.471815      5.348137
  H      -3.482122     -1.956652      5.495074
  H      -4.689532     -2.772207      6.264094
  H      -5.028077     -1.784462      4.997758
  N      -5.576551     -4.816900      5.571257
  N      -6.727128     -5.099782      6.782029
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.770583865848
  N      -2.625678     -3.642712      2.736412
  C      -1.963414     -4.647825      1.889641
  C      -2.294746     -6.048244      2.348462
  N      -3.713863     -6.101203      2.760752
  C      -4.618040     -6.011120      1.596600
  C      -6.014941     -5.584058      1.999432
  N      -5.994351     -4.518222      3.003157
  Mo     -4.104176     -4.356511      3.999184
  N      -3.049023     -5.601769      5.247867
  C      -3.146213     -7.022558      4.928892
  C      -3.954539     -7.246597      3.651742
  H      -3.646576     -7.595730      5.737520
  H      -2.152311     -7.498106      4.811131
  H      -5.034824     -7.296710      3.852517
  H      -3.654289     -8.198188      3.170355
  H      -6.513225     -5.271056      1.060917
  H      -6.591436     -6.467654      2.352649
  H      -4.191718     -5.249025      0.931263
  H      -4.642421     -6.971891      1.048231
  H      -0.861477     -4.555606      1.914475
  H      -2.244441     -4.526866      0.825145
  H      -1.696685     -6.289392      3.232581
  H      -2.085349     -6.800140      1.565747
  C      -2.473085     -2.291654      2.099521
  C      -1.021132     -2.044409      1.621946
  C       0.061189     -2.173330      2.691075
  C       1.457934     -1.974336      2.102847
  C       2.594762     -2.243813      3.069908
  Cl      2.769563     -4.018355      3.419741
  C      -2.890639     -1.187611      3.080165
  C      -2.974187      0.215687      2.472661
  C      -3.961404      0.239195      1.303975
  C      -3.569621     -0.803641      0.256575
  C      -3.433677     -2.199229      0.875736
  C      -7.389074     -4.189408      3.442766
  C      -8.071654     -5.279900      4.368574
  C      -7.186375     -5.708452      5.494874
  C      -7.457769     -7.162342      6.049539
  C      -8.819252     -7.116026      6.703611
  Cl     -9.272930     -8.726556      7.458740
  C      -7.408273     -2.837185      4.189504
  C      -6.951937     -1.673257      3.309846
  C      -7.852385     -1.528518      2.081627
  C      -7.902964     -2.850511      1.309917
  C      -8.338780     -3.995813      2.226428
  C      -2.388852     -5.342127      6.567769
  C      -3.442285     -5.646032      7.662344
  C      -3.163300     -5.282363      9.118975
  C      -4.372966     -5.660260      9.980053
  C      -4.255495     -5.295890     11.445581
  Cl     -2.942585     -6.233072     12.286481
  C      -1.149862     -6.242763      6.801583
  C       0.043017     -5.780979      5.967541
  C       0.558417     -4.425625      6.500563
  C      -0.541488     -3.665842      7.262251
  C      -1.918848     -3.861950      6.622212
  H      -0.788523     -2.739565      0.799660
  H      -0.971681     -1.040742      1.172429
  H      -0.009147     -3.166644      3.159628
  H      -0.096127     -1.436469      3.496151
  H       1.589000     -2.616331      1.216275
  H       1.566459     -0.931283      1.754309
  H       2.436012     -1.761681      4.043394
  H       3.564054     -1.930863      2.664917
  H      -3.897070     -1.455466      3.420116
  H      -2.223123     -1.194922      3.956601
  H      -1.983018      0.557146      2.128681
  H      -3.291612      0.925549      3.253689
  H      -4.008712      1.243186      0.853421
  H      -4.971226      0.006145      1.685852
  H      -2.620167     -0.502708     -0.218480
  H      -4.321337     -0.837381     -0.548883
  H      -3.108934     -2.908116      0.097803
  H      -4.421691     -2.541632      1.228764
  H      -9.052537     -4.871756      4.674972
  H      -8.262710     -6.190220      3.779067
  H      -7.290782     -4.209178      6.845533
  H      -5.948137     -5.860082      5.142987
  H      -6.694856     -7.415316      6.795055
  H      -7.441546     -7.930279      5.256701
  H      -9.627479     -6.887806      6.000990
  H      -8.815771     -6.396805      7.534736
  H      -6.796889     -2.926149      5.093968
  H      -8.449441     -2.652454      4.509589
  H      -6.930721     -0.735470      3.890819
  H      -5.926196     -1.875459      2.960259
  H      -7.500309     -0.710750      1.432188
  H      -8.874006     -1.263757      2.409164
  H      -6.900158     -3.069634      0.906139
  H      -8.589513     -2.769798      0.452061
  H      -8.451292     -4.931559      1.658930
  H      -9.339212     -3.766639      2.634467
  H      -4.371193     -5.154795      7.348815
  H      -3.656940     -6.729161      7.620984
  H      -2.274267     -5.800262      9.513167
  H      -2.970663     -4.199345      9.216085
  H      -4.562497     -6.742613      9.888056
  H      -5.282379     -5.163517      9.588402
  H      -3.996214     -4.238547     11.587634
  H      -5.174057     -5.519794     12.000742
  H      -1.398675     -7.297057      6.626408
  H      -0.883547     -6.177314      7.868855
  H      -0.275861     -5.671447      4.916908
  H       0.847380     -6.531527      5.977390
  H       1.421310     -4.583689      7.166812
  H       0.924834     -3.812879      5.664571
  H      -0.298992     -2.591484      7.292918
  H      -0.579062     -3.998510      8.311992
  H      -2.657201     -3.265925      7.181226
  H      -1.891606     -3.476951      5.589712
  N      -4.360795     -2.458281      5.359629
  H      -3.488992     -1.945203      5.504724
  H      -4.693912     -2.766020      6.273980
  H      -5.037937     -1.772951      5.010315
  N      -5.586864     -4.832411      5.573310
  N      -6.712379     -5.075197      6.771033
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.778748174167
  N      -2.638779     -3.646491      2.740988
  C      -1.974775     -4.651000      1.894773
  C      -2.301954     -6.051561      2.355732
  N      -3.720878     -6.107724      2.769190
  C      -4.622112     -6.022879      1.602616
  C      -6.018810     -5.593596      2.000602
  N      -5.993855     -4.522353      2.996096
  Mo     -4.114279     -4.361513      4.007762
  N      -3.037732     -5.602934      5.249810
  C      -3.140300     -7.024257      4.935466
  C      -3.958290     -7.249926      3.664646
  H      -3.634300     -7.596924      5.748447
  H      -2.148256     -7.502341      4.810113
  H      -5.037975     -7.298582      3.870214
  H      -3.662784     -8.203237      3.183111
  H      -6.517378     -5.286991      1.059785
  H      -6.596583     -6.474811      2.358732
  H      -4.193560     -5.264158      0.935053
  H      -4.643277     -6.985552      1.057384
  H      -0.873019     -4.556608      1.917072
  H      -2.257551     -4.532220      0.830413
  H      -1.702028     -6.292171      3.238384
  H      -2.093599     -6.803378      1.572555
  C      -2.489472     -2.296626      2.101343
  C      -1.035200     -2.051790      1.625935
  C       0.045656     -2.186159      2.695836
  C       1.443837     -1.991139      2.110591
  C       2.578026     -2.270281      3.077920
  Cl      2.742628     -4.047176      3.420903
  C      -2.903016     -1.188600      3.079399
  C      -2.977189      0.213306      2.466745
  C      -3.959621      0.240125      1.294298
  C      -3.573732     -0.810322      0.252289
  C      -3.447627     -2.204684      0.876772
  C      -7.383463     -4.181775      3.436285
  C      -8.067599     -5.265047      4.361636
  C      -7.177813     -5.724716      5.474914
  C      -7.473913     -7.162106      6.011942
  C      -8.830360     -7.098741      6.679740
  Cl     -9.299577     -8.703579      7.435043
  C      -7.394261     -2.828352      4.180590
  C      -6.935516     -1.667077      3.299910
  C      -7.832796     -1.520303      2.070096
  C      -7.892242     -2.843334      1.301477
  C      -8.333516     -3.983432      2.220475
  C      -2.386050     -5.342787      6.572627
  C      -3.431149     -5.665144      7.669619
  C      -3.146837     -5.299572      9.124845
  C      -4.341701     -5.692983      9.998272
  C      -4.218258     -5.319732     11.460815
  Cl     -2.882959     -6.231281     12.294639
  C      -1.132585     -6.226962      6.795769
  C       0.051513     -5.737219      5.965616
  C       0.545654     -4.379366      6.511400
  C      -0.565359     -3.642846      7.279122
  C      -1.938117     -3.856590      6.635343
  H      -0.803941     -2.745094      0.801669
  H      -0.981256     -1.048037      1.177456
  H      -0.027985     -3.179954      3.162954
  H      -0.110868     -1.452390      3.503874
  H       1.573503     -2.629197      1.220954
  H       1.558470     -0.947641      1.765191
  H       2.420633     -1.791418      4.053235
  H       3.549514     -1.960991      2.675456
  H      -3.910657     -1.449499      3.421335
  H      -2.237177     -1.196086      3.957001
  H      -1.982460      0.546251      2.124862
  H      -3.290291      0.929166      3.244017
  H      -3.999162      1.242893      0.840310
  H      -4.972616      0.017563      1.673166
  H      -2.621023     -0.518601     -0.221977
  H      -4.323037     -0.841077     -0.555498
  H      -3.126120     -2.918335      0.101935
  H      -4.437721     -2.541553      1.229107
  H      -9.039171     -4.846907      4.683081
  H      -8.278752     -6.167333      3.765906
  H      -7.247967     -4.177034      6.813865
  H      -5.935309     -5.901935      5.127440
  H      -6.709982     -7.423029      6.755423
  H      -7.471135     -7.932106      5.222746
  H      -9.640843     -6.858589      5.983829
  H      -8.810117     -6.381884      7.511949
  H      -6.782586     -2.917794      5.084550
  H      -8.433876     -2.639702      4.503483
  H      -6.911194     -0.728334      3.879351
  H      -5.909694     -1.872582      2.953607
  H      -7.476102     -0.705586      1.419512
  H      -8.853125     -1.248054      2.395858
  H      -6.891713     -3.070583      0.896576
  H      -8.578480     -2.759913      0.443647
  H      -8.452449     -4.920172      1.655825
  H      -9.332859     -3.748925      2.628603
  H      -4.368064     -5.185113      7.361452
  H      -3.634906     -6.750196      7.628880
  H      -2.245502     -5.802956      9.509474
  H      -2.969874     -4.213876      9.221827
  H      -4.517364     -6.778320      9.912827
  H      -5.261938     -5.213030      9.611340
  H      -3.974945     -4.257713     11.595810
  H      -5.128348     -5.555947     12.024678
  H      -1.365601     -7.283146      6.610748
  H      -0.865720     -6.169383      7.863521
  H      -0.270818     -5.622760      4.916609
  H       0.868322     -6.474215      5.966200
  H       1.411573     -4.529739      7.175583
  H       0.903473     -3.753792      5.680821
  H      -0.339434     -2.565169      7.318764
  H      -0.598284     -3.983262      8.326478
  H      -2.687990     -3.273848      7.192847
  H      -1.912503     -3.466694      5.604574
  N      -4.371253     -2.449436      5.369748
  H      -3.498469     -1.938579      5.514111
  H      -4.701083     -2.764453      6.282524
  H      -5.050141     -1.765798      5.021870
  N      -5.597924     -4.855539      5.567773
  N      -6.689558     -5.052401      6.745317
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.786010428043
  N      -2.652583     -3.649228      2.744048
  C      -1.987031     -4.653345      1.898758
  C      -2.310199     -6.054197      2.362352
  N      -3.729055     -6.113882      2.776605
  C      -4.626645     -6.035443      1.606901
  C      -6.023411     -5.603094      1.999525
  N      -5.993689     -4.525554      2.985912
  Mo     -4.125512     -4.366926      4.014803
  N      -3.027919     -5.604841      5.252230
  C      -3.137994     -7.026343      4.942087
  C      -3.963966     -7.252932      3.676101
  H      -3.626897     -7.598418      5.758642
  H      -2.148156     -7.507827      4.809471
  H      -5.043246     -7.299713      3.885516
  H      -3.673554     -8.208372      3.195049
  H      -6.522505     -5.303490      1.056442
  H      -6.602087     -6.481723      2.363691
  H      -4.196016     -5.280380      0.936747
  H      -4.644628     -7.000475      1.065758
  H      -0.885376     -4.557443      1.919163
  H      -2.270785     -4.537222      0.834190
  H      -1.708364     -6.293474      3.243762
  H      -2.102112     -6.805714      1.578683
  C      -2.504763     -2.300385      2.103798
  C      -1.048036     -2.056527      1.631832
  C       0.030937     -2.197464      2.702719
  C       1.430591     -2.004807      2.120824
  C       2.561920     -2.295240      3.088190
  Cl      2.716216     -4.074927      3.420913
  C      -2.915390     -1.189988      3.080831
  C      -2.979376      0.211669      2.465898
  C      -3.955773      0.243665      1.288641
  C      -3.575145     -0.812474      0.250339
  C      -3.459767     -2.206551      0.878003
  C      -7.377830     -4.174080      3.426767
  C      -8.062163     -5.251053      4.353890
  C      -7.166731     -5.741265      5.452323
  C      -7.488142     -7.163548      5.979742
  C      -8.838068     -7.085383      6.663787
  Cl     -9.315702     -8.684317      7.421189
  C      -7.380802     -2.819856      4.169123
  C      -6.921061     -1.660843      3.286815
  C      -7.817176     -1.513118      2.056559
  C      -7.885137     -2.837289      1.291064
  C      -8.330086     -3.972485      2.213275
  C      -2.385084     -5.344979      6.577213
  C      -3.422043     -5.682442      7.677487
  C      -3.130895     -5.313488      9.130720
  C      -4.310626     -5.719019     10.017982
  C      -4.178488     -5.334789     11.476880
  Cl     -2.821972     -6.221819     12.302333
  C      -1.118703     -6.214035      6.791450
  C       0.056950     -5.699870      5.964508
  C       0.532906     -4.339999      6.520669
  C      -0.587581     -3.623740      7.293274
  C      -1.955985     -3.853473      6.646128
  H      -0.817441     -2.746603      0.804637
  H      -0.989398     -1.051701      1.186636
  H      -0.045175     -3.192338      3.166993
  H      -0.125312     -1.467751      3.514474
  H       1.559009     -2.637607      1.227259
  H       1.550923     -0.960217      1.780663
  H       2.405223     -1.821330      4.066017
  H       3.535566     -1.988725      2.688902
  H      -3.924513     -1.444849      3.423021
  H      -2.251684     -1.199684      3.959967
  H      -1.980829      0.536777      2.127812
  H      -3.289313      0.931963      3.240305
  H      -3.986579      1.245896      0.832778
  H      -4.972367      0.031048      1.662991
  H      -2.618865     -0.529505     -0.221968
  H      -4.321674     -0.838741     -0.560135
  H      -3.141183     -2.923736      0.105246
  H      -4.452248     -2.537867      1.228661
  H      -9.022723     -4.823225      4.694329
  H      -8.297013     -6.144524      3.753053
  H      -7.198412     -4.147812      6.762631
  H      -5.920756     -5.944845      5.108658
  H      -6.722991     -7.432823      6.720607
  H      -7.498722     -7.936025      5.194465
  H      -9.652282     -6.835972      5.975531
  H      -8.800959     -6.369279      7.495422
  H      -6.767817     -2.908745      5.071984
  H      -8.418509     -2.627937      4.496072
  H      -6.894094     -0.721066      3.864527
  H      -5.895379     -1.868964      2.942630
  H      -7.456853     -0.701441      1.404356
  H      -8.835987     -1.234108      2.381546
  H      -6.887142     -3.071656      0.884095
  H      -8.572273     -2.751888      0.434179
  H      -8.454936     -4.910346      1.651676
  H      -9.327951     -3.733438      2.622676
  H      -4.365956     -5.211864      7.375424
  H      -3.615942     -6.769180      7.638609
  H      -2.218292     -5.803697      9.505255
  H      -2.967326     -4.225611      9.226188
  H      -4.474132     -6.806916      9.941048
  H      -5.240571     -5.253862      9.636696
  H      -3.949029     -4.268605     11.602671
  H      -5.079551     -5.580582     12.050968
  H      -1.337352     -7.271660      6.596984
  H      -0.850612     -6.163763      7.859384
  H      -0.269240     -5.581614      4.917328
  H       0.884540     -6.424648      5.956851
  H       1.401468     -4.483290      7.182987
  H       0.882592     -3.703753      5.694378
  H      -0.376605     -2.543313      7.339914
  H      -0.615736     -3.970456      8.338619
  H      -2.715715     -3.281571      7.201325
  H      -1.931303     -3.461119      5.616167
  N      -4.383043     -2.445665      5.377640
  H      -3.508948     -1.937593      5.521793
  H      -4.709645     -2.766456      6.289446
  H      -5.063090     -1.762763      5.031854
  N      -5.609388     -4.884399      5.554335
  N      -6.660313     -5.031915      6.705059
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.791963469906
  N      -2.666944     -3.649958      2.744975
  C      -2.000222     -4.653841      1.900768
  C      -2.319515     -6.055378      2.367042
  N      -3.738418     -6.119295      2.782047
  C      -4.632518     -6.048636      1.609233
  C      -6.029378     -5.612653      1.997239
  N      -5.994769     -4.527034      2.972976
  Mo     -4.137676     -4.372458      4.019607
  N      -3.018887     -5.607232      5.253298
  C      -3.139447     -7.028702      4.947698
  C      -3.971530     -7.255421      3.685105
  H      -3.624680     -7.599500      5.767393
  H      -2.152413     -7.514880      4.808287
  H      -5.050578     -7.299799      3.897636
  H      -3.687005     -8.213530      3.205206
  H      -6.530138     -5.321482      1.052202
  H      -6.607769     -6.488496      2.369653
  H      -4.200562     -5.297658      0.935569
  H      -4.647825     -7.016688      1.073536
  H      -0.898522     -4.557079      1.919902
  H      -2.284196     -4.540429      0.835706
  H      -1.715545     -6.292648      3.247305
  H      -2.110941     -6.806173      1.582664
  C      -2.517925     -2.301897      2.106716
  C      -1.058421     -2.057831      1.640515
  C       0.016897     -2.206936      2.713885
  C       1.419069     -2.014675      2.138137
  C       2.545909     -2.318018      3.106971
  Cl      2.690248     -4.100854      3.426040
  C      -2.927574     -1.191057      3.084211
  C      -2.980854      0.211618      2.470341
  C      -3.949414      0.250417      1.286790
  C      -3.572365     -0.808956      0.250251
  C      -3.468492     -2.203699      0.878735
  C      -7.373693     -4.166835      3.414627
  C      -8.056880     -5.238783      4.345938
  C      -7.155563     -5.757864      5.428659
  C      -7.501672     -7.167576      5.955310
  C      -8.843391     -7.077401      6.657714
  Cl     -9.321747     -8.671184      7.418223
  C      -7.371597     -2.812031      4.155229
  C      -6.913061     -1.654344      3.270883
  C      -7.809184     -1.508246      2.040514
  C      -7.883020     -2.833989      1.278426
  C      -8.329334     -3.965025      2.204431
  C      -2.384277     -5.348656      6.579732
  C      -3.414234     -5.695681      7.684027
  C      -3.114359     -5.321950      9.134603
  C      -4.279612     -5.733935     10.037051
  C      -4.135939     -5.336187     11.491377
  Cl     -2.760811     -6.201520     12.308125
  C      -1.107807     -6.205911      6.787305
  C       0.060922     -5.673173      5.962688
  C       0.523944     -4.312254      6.526657
  C      -0.603725     -3.611188      7.302491
  C      -1.968317     -3.853194      6.652084
  H      -0.826992     -2.743195      0.809524
  H      -0.994451     -1.050858      1.201184
  H      -0.061791     -3.203732      3.173401
  H      -0.140763     -1.482393      3.530001
  H       1.547937     -2.640479      1.239734
  H       1.545069     -0.968162      1.806088
  H       2.387641     -1.851127      4.087901
  H       3.522239     -2.012967      2.713217
  H      -3.938660     -1.441171      3.424121
  H      -2.267001     -1.205175      3.965636
  H      -1.978267      0.530396      2.138408
  H      -3.289820      0.934270      3.242901
  H      -3.970785      1.252920      0.830923
  H      -4.970091      0.046401      1.654723
  H      -2.612183     -0.533617     -0.218534
  H      -4.315480     -0.829431     -0.563492
  H      -3.152077     -2.923266      0.107261
  H      -4.463844     -2.529355      1.226251
  H      -9.005105     -4.802326      4.708757
  H      -8.318293     -6.122381      3.740925
  H      -7.148441     -4.124223      6.694452
  H      -5.904995     -5.987495      5.087845
  H      -6.734866     -7.445967      6.692497
  H      -7.524808     -7.941871      5.173164
  H      -9.663053     -6.821213      5.978340
  H      -8.789986     -6.360706      7.487430
  H      -6.756780     -2.898544      5.056969
  H      -8.407505     -2.618715      4.486766
  H      -6.885820     -0.713355      3.846609
  H      -5.887126     -1.862778      2.928372
  H      -7.446560     -0.699353      1.386273
  H      -8.826896     -1.224321      2.364749
  H      -6.887128     -3.073312      0.869388
  H      -8.571706     -2.748325      0.422850
  H      -8.457925     -4.904404      1.646172
  H      -9.325966     -3.723249      2.615392
  H      -4.363288     -5.230907      7.388564
  H      -3.601285     -6.783587      7.648370
  H      -2.192489     -5.802023      9.498998
  H      -2.959932     -4.232540      9.226782
  H      -4.434232     -6.823805      9.970913
  H      -5.217410     -5.280044      9.662108
  H      -3.916784     -4.266560     11.605496
  H      -5.027996     -5.587210     12.077079
  H      -1.315298     -7.264260      6.583995
  H      -0.837955     -6.162507      7.855175
  H      -0.269108     -5.551937      4.917306
  H       0.896426     -6.388663      5.948121
  H       1.394248     -4.450502      7.187740
  H       0.867458     -3.668203      5.703561
  H      -0.404325     -2.528773      7.353963
  H      -0.628042     -3.962559      8.346279
  H      -2.735521     -3.287925      7.203634
  H      -1.942722     -3.461547      5.621766
  N      -4.394041     -2.448160      5.383939
  H      -3.517807     -1.944080      5.527809
  H      -4.716738     -2.772408      6.295974
  H      -5.074400     -1.764071      5.042115
  N      -5.620456     -4.917311      5.532751
  N      -6.628854     -5.016472      6.652856
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.796212519544
  N      -2.681296     -3.648810      2.744099
  C      -2.014062     -4.652275      1.900363
  C      -2.329346     -6.055216      2.368466
  N      -3.748261     -6.124600      2.784661
  C      -4.640232     -6.063552      1.609908
  C      -6.036680     -5.624133      1.996093
  N      -5.997487     -4.526829      2.957873
  Mo     -4.149927     -4.378871      4.021839
  N      -3.009508     -5.610523      5.250712
  C      -3.144740     -7.032069      4.951817
  C      -3.980314     -7.258105      3.690864
  H      -3.628645     -7.599465      5.774655
  H      -2.161460     -7.525166      4.807260
  H      -5.059407     -7.299102      3.905693
  H      -3.703119     -8.219529      3.212773
  H      -6.541863     -5.344886      1.049774
  H      -6.612056     -6.496887      2.381130
  H      -4.208579     -5.317458      0.930797
  H      -4.654138     -7.035630      1.081704
  H      -0.912193     -4.555166      1.918641
  H      -2.297751     -4.540861      0.834716
  H      -1.722843     -6.290319      3.247428
  H      -2.119699     -6.804465      1.582770
  C      -2.527439     -2.300085      2.112800
  C      -1.065031     -2.053798      1.654500
  C       0.006524     -2.215338      2.729980
  C       1.411026     -2.017937      2.161272
  C       2.534635     -2.338070      3.128742
  Cl      2.674081     -4.125378      3.422529
  C      -2.938322     -1.192760      3.094351
  C      -2.980605      0.213456      2.487856
  C      -3.939148      0.263197      1.296418
  C      -3.563786     -0.794937      0.257698
  C      -3.472547     -2.192434      0.882004
  C      -7.372809     -4.162552      3.399867
  C      -8.054754     -5.231210      4.337339
  C      -7.149600     -5.775704      5.406140
  C      -7.517851     -7.174864      5.940732
  C      -8.850070     -7.075086      6.661942
  Cl     -9.323481     -8.664664      7.426475
  C      -7.370823     -2.806677      4.137538
  C      -6.915629     -1.649549      3.250709
  C      -7.810853     -1.509690      2.018817
  C      -7.885508     -2.838236      1.261518
  C      -8.331227     -3.965724      2.191953
  C      -2.382248     -5.353358      6.578285
  C      -3.407650     -5.701052      7.687115
  C      -3.096853     -5.320910      9.134148
  C      -4.250013     -5.730269     10.052523
  C      -4.092498     -5.315463     11.500883
  Cl     -2.703425     -6.163766     12.310962
  C      -1.100057     -6.204235      6.782436
  C       0.064512     -5.661036      5.958893
  C       0.521889     -4.300282      6.527413
  C      -0.609959     -3.606956      7.303964
  C      -1.971182     -3.855911      6.649631
  H      -0.831835     -2.730507      0.816749
  H      -0.995950     -1.042457      1.226271
  H      -0.073334     -3.216411      3.179967
  H      -0.153513     -1.499580      3.553385
  H       1.540921     -2.631035      1.254302
  H       1.540613     -0.967206      1.844373
  H       2.374391     -1.884897      4.115775
  H       3.512647     -2.029764      2.741805
  H      -3.952010     -1.440194      3.428804
  H      -2.282073     -1.215291      3.978845
  H      -1.973767      0.528592      2.165540
  H      -3.291489      0.934504      3.261123
  H      -3.950128      1.267699      0.844496
  H      -4.964451      0.065800      1.655432
  H      -2.599394     -0.525115     -0.205519
  H      -4.302897     -0.806794     -0.559842
  H      -3.158137     -2.912192      0.109832
  H      -4.471406     -2.512163      1.224628
  H      -8.990409     -4.787888      4.723717
  H      -8.343636     -6.103772      3.728499
  H      -7.110687     -4.109692      6.617576
  H      -5.890264     -6.029872      5.068119
  H      -6.748599     -7.463071      6.672718
  H      -7.552250     -7.949412      5.159944
  H      -9.676377     -6.814272      5.992169
  H      -8.782229     -6.356446      7.488534
  H      -6.754404     -2.887942      5.038883
  H      -8.405623     -2.614635      4.472864
  H      -6.892848     -0.706806      3.823658
  H      -5.888126     -1.854729      2.911361
  H      -7.446673     -0.703741      1.361879
  H      -8.828697     -1.223087      2.340231
  H      -6.890316     -3.079721      0.852261
  H      -8.575124     -2.755345      0.406445
  H      -8.459210     -4.907509      1.637709
  H      -9.327895     -3.723857      2.602854
  H      -4.358785     -5.236075      7.397666
  H      -3.593672     -6.789194      7.656771
  H      -2.169087     -5.796115      9.489484
  H      -2.944567     -4.230818      9.220523
  H      -4.401241     -6.821291     10.000233
  H      -5.192623     -5.282170      9.683407
  H      -3.878330     -4.243364     11.600172
  H      -4.976591     -5.565148     12.099065
  H      -1.301469     -7.262384      6.571267
  H      -0.828469     -6.167207      7.850127
  H      -0.268945     -5.537495      4.915035
  H       0.903973     -6.371730      5.939145
  H       1.392494     -4.436723      7.188437
  H       0.862733     -3.652382      5.706039
  H      -0.417077     -2.523447      7.357610
  H      -0.632734     -3.960789      8.346851
  H      -2.743060     -3.290729      7.194573
  H      -1.940922     -3.469646      5.617311
  N      -4.401874     -2.459019      5.390500
  H      -3.522262     -1.960651      5.533337
  H      -4.718901     -2.784394      6.304388
  H      -5.081558     -1.770952      5.055813
  N      -5.630819     -4.952344      5.504269
  N      -6.605310     -5.009248      6.596345
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.799366663592
  N      -2.695879     -3.644105      2.741709
  C      -2.028489     -4.645982      1.897162
  C      -2.338165     -6.051172      2.365604
  N      -3.756652     -6.127769      2.784099
  C      -4.649040     -6.077479      1.609608
  C      -6.044229     -5.636293      1.998273
  N      -6.001544     -4.523724      2.942690
  Mo     -4.160777     -4.384420      4.022519
  N      -2.999145     -5.612980      5.243928
  C      -3.151247     -7.034721      4.953598
  C      -3.987159     -7.259604      3.692454
  H      -3.636426     -7.596529      5.779368
  H      -2.172105     -7.536017      4.806712
  H      -5.066494     -7.297656      3.908645
  H      -3.717294     -8.223972      3.215827
  H      -6.557355     -5.373084      1.051807
  H      -6.612799     -6.505928      2.400477
  H      -4.220029     -5.336616      0.923192
  H      -4.663079     -7.054180      1.090241
  H      -0.926497     -4.547494      1.913764
  H      -2.312867     -4.535589      0.831246
  H      -1.728364     -6.284456      3.242744
  H      -2.127092     -6.797598      1.577545
  C      -2.534825     -2.293938      2.120361
  C      -1.068846     -2.044678      1.674750
  C      -0.004540     -2.220377      2.755402
  C       1.403829     -2.014573      2.198860
  C       2.521536     -2.354319      3.166626
  Cl      2.657431     -4.146676      3.428295
  C      -2.952263     -1.192264      3.105923
  C      -2.984477      0.218477      2.509703
  C      -3.928658      0.279336      1.307086
  C      -3.549280     -0.774960      0.265606
  C      -3.471139     -2.175764      0.884001
  C      -7.375379     -4.161145      3.384872
  C      -8.057120     -5.228436      4.329721
  C      -7.152159     -5.792412      5.389563
  C      -7.537689     -7.182332      5.937318
  C      -8.860370     -7.074466      6.675011
  Cl     -9.327708     -8.660409      7.444339
  C      -7.376700     -2.801879      4.115759
  C      -6.926885     -1.646367      3.223830
  C      -7.821035     -1.518108      1.989687
  C      -7.893424     -2.851614      1.240726
  C      -8.336435     -3.974618      2.178076
  C      -2.376234     -5.357346      6.572068
  C      -3.399908     -5.695952      7.685774
  C      -3.075368     -5.312033      9.129166
  C      -4.220198     -5.710154     10.062419
  C      -4.046286     -5.280004     11.504663
  Cl     -2.649347     -6.121063     12.308114
  C      -1.094568     -6.210628      6.774631
  C       0.069846     -5.667589      5.950478
  C       0.532508     -4.309663      6.521041
  C      -0.598551     -3.614258      7.296778
  C      -1.958098     -3.860894      6.638503
  H      -0.830796     -2.711174      0.829910
  H      -0.994086     -1.028073      1.260282
  H      -0.085997     -3.226791      3.193090
  H      -0.170396     -1.514994      3.586620
  H       1.537997     -2.611135      1.281551
  H       1.536818     -0.958348      1.902406
  H       2.356004     -1.919210      4.160910
  H       3.502036     -2.040271      2.790794
  H      -3.969467     -1.439654      3.430124
  H      -2.303364     -1.224029      3.995607
  H      -1.973154      0.533715      2.201874
  H      -3.303022      0.935017      3.284033
  H      -3.928921      1.286486      0.860856
  H      -4.959385      0.085957      1.653188
  H      -2.579854     -0.508089     -0.188588
  H      -4.282055     -0.778355     -0.557700
  H      -3.156304     -2.895023      0.111468
  H      -4.474378     -2.489604      1.218902
  H      -8.981779     -4.779972      4.736534
  H      -8.370712     -6.089953      3.717346
  H      -7.095270     -4.104509      6.548465
  H      -5.878274     -6.067559      5.055247
  H      -6.765138     -7.480816      6.662395
  H      -7.582204     -7.954909      5.155305
  H      -9.693173     -6.810205      6.014331
  H      -8.780658     -6.352969      7.497943
  H      -6.757303     -2.873684      5.016256
  H      -8.410512     -2.612121      4.454952
  H      -6.912091     -0.700690      3.791974
  H      -5.896996     -1.845890      2.888574
  H      -7.455936     -0.716620      1.327797
  H      -8.839641     -1.229579      2.306835
  H      -6.898130     -3.093861      0.832401
  H      -8.584123     -2.775063      0.385945
  H      -8.460904     -4.920040      1.629571
  H      -9.333883     -3.733984      2.587830
  H      -4.349165     -5.222570      7.401936
  H      -3.593324     -6.782857      7.660814
  H      -2.146221     -5.790634      9.476016
  H      -2.915863     -4.222644      9.210010
  H      -4.375616     -6.801016     10.023399
  H      -5.163881     -5.259688      9.699431
  H      -3.830060     -4.207095     11.589689
  H      -4.924066     -5.522333     12.115034
  H      -1.297897     -7.267146      6.556612
  H      -0.820969     -6.180416      7.841961
  H      -0.266567     -5.540764      4.908023
  H       0.907524     -6.380234      5.926455
  H       1.401787     -4.450348      7.182875
  H       0.875908     -3.662136      5.700359
  H      -0.404253     -2.531020      7.351050
  H      -0.622696     -3.969301      8.339100
  H      -2.729890     -3.287839      7.174996
  H      -1.919378     -3.483631      5.603014
  N      -4.407945     -2.477072      5.399929
  H      -3.524708     -1.984447      5.540711
  H      -4.717207     -2.802747      6.316858
  H      -5.087023     -1.783379      5.075577
  N      -5.638637     -4.983807      5.475097
  N      -6.598315     -5.009721      6.548890
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.802375893053
  N      -2.707423     -3.640973      2.741525
  C      -2.039306     -4.639456      1.894359
  C      -2.341194     -6.047817      2.361327
  N      -3.759049     -6.133882      2.781414
  C      -4.652474     -6.094580      1.607355
  C      -6.046987     -5.652760      1.998292
  N      -6.004507     -4.524023      2.924838
  Mo     -4.169283     -4.394218      4.022038
  N      -2.988605     -5.616514      5.236768
  C      -3.151894     -7.039036      4.953953
  C      -3.985360     -7.265181      3.690824
  H      -3.638725     -7.596444      5.781433
  H      -2.174825     -7.544917      4.807549
  H      -5.065093     -7.304401      3.906736
  H      -3.719065     -8.231056      3.215207
  H      -6.567793     -5.406867      1.051714
  H      -6.607324     -6.519708      2.417452
  H      -4.226623     -5.358823      0.913492
  H      -4.666368     -7.075904      1.097031
  H      -0.937328     -4.538412      1.909517
  H      -2.324502     -4.528783      0.828385
  H      -1.728316     -6.279265      3.236903
  H      -2.127274     -6.790226      1.570232
  C      -2.537632     -2.287159      2.136593
  C      -1.070455     -2.035176      1.696078
  C      -0.003018     -2.236386      2.770196
  C       1.402668     -2.015283      2.211488
  C       2.527603     -2.386445      3.159095
  Cl      2.667039     -4.186338      3.358984
  C      -2.955697     -1.196868      3.135003
  C      -2.979273      0.222153      2.558938
  C      -3.914492      0.303477      1.350241
  C      -3.537109     -0.740418      0.297305
  C      -3.471429     -2.148557      0.900004
  C      -7.378188     -4.166493      3.369034
  C      -8.061712     -5.233047      4.322196
  C      -7.160921     -5.811759      5.377966
  C      -7.560993     -7.191773      5.942037
  C      -8.876680     -7.073329      6.689524
  Cl     -9.343116     -8.653496      7.466281
  C      -7.381458     -2.803367      4.092427
  C      -6.936017     -1.650670      3.194524
  C      -7.830325     -1.533238      1.959147
  C      -7.903153     -2.871809      1.219120
  C      -8.343298     -3.989867      2.164234
  C      -2.372974     -5.356893      6.565962
  C      -3.397531     -5.685068      7.682158
  C      -3.064924     -5.294249      9.122103
  C      -4.204212     -5.682142     10.066198
  C      -4.019441     -5.235810     11.502414
  Cl     -2.615922     -6.066852     12.304504
  C      -1.090520     -6.208885      6.773361
  C       0.073268     -5.665621      5.947806
  C       0.536843     -4.306785      6.514823
  C      -0.595704     -3.609200      7.286314
  C      -1.951848     -3.860057      6.623522
  H      -0.835320     -2.684402      0.836802
  H      -0.991540     -1.010241      1.303461
  H      -0.080806     -3.252608      3.186081
  H      -0.165782     -1.549776      3.617665
  H       1.529800     -2.582918      1.275011
  H       1.534709     -0.950302      1.947874
  H       2.369613     -1.984752      4.168610
  H       3.505012     -2.059595      2.786147
  H      -3.975396     -1.445423      3.452225
  H      -2.309782     -1.244651      4.026227
  H      -1.964738      0.538916      2.263414
  H      -3.301881      0.928815      3.340631
  H      -3.904298      1.316103      0.916594
  H      -4.949169      0.113381      1.686803
  H      -2.564566     -0.474662     -0.150664
  H      -4.267540     -0.728915     -0.528038
  H      -3.161493     -2.862830      0.120964
  H      -4.478045     -2.456272      1.230343
  H      -8.976621     -4.779050      4.745433
  H      -8.397781     -6.083630      3.706629
  H      -7.096068     -4.108279      6.485586
  H      -5.865791     -6.106718      5.048533
  H      -6.787136     -7.500626      6.661731
  H      -7.613693     -7.961868      5.157884
  H      -9.713096     -6.806417      6.034084
  H      -8.788704     -6.346893      7.507351
  H      -6.757604     -2.864996      4.991202
  H      -8.413699     -2.614303      4.436389
  H      -6.927668     -0.702157      3.757771
  H      -5.904453     -1.846245      2.862718
  H      -7.463723     -0.737159      1.291447
  H      -8.848866     -1.241164      2.273142
  H      -6.908450     -3.115931      0.810682
  H      -8.596152     -2.800948      0.365688
  H      -8.465764     -4.938631      1.621526
  H      -9.340671     -3.749368      2.574236
  H      -4.344960     -5.205900      7.399055
  H      -3.595825     -6.771144      7.664107
  H      -2.135221     -5.774547      9.464990
  H      -2.899898     -4.205275      9.196205
  H      -4.361577     -6.772938     10.040299
  H      -5.148363     -5.230487      9.706192
  H      -3.803471     -4.161832     11.573475
  H      -4.892397     -5.471827     12.122128
  H      -1.292235     -7.265016      6.552057
  H      -0.817328     -6.180616      7.840699
  H      -0.265438     -5.540503      4.905871
  H       0.911157     -6.377989      5.923319
  H       1.404628     -4.446664      7.178759
  H       0.881317     -3.662420      5.691799
  H      -0.403408     -2.525448      7.337429
  H      -0.621005     -3.961745      8.329320
  H      -2.725493     -3.279968      7.149330
  H      -1.904977     -3.494632      5.583905
  N      -4.414460     -2.503066      5.406967
  H      -3.527520     -2.015775      5.544693
  H      -4.716347     -2.826354      6.327813
  H      -5.092248     -1.803193      5.092748
  N      -5.642431     -5.016691      5.444661
  N      -6.603978     -5.018114      6.509294
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.805300888103
  N      -2.719755     -3.635407      2.733212
  C      -2.052824     -4.633046      1.884454
  C      -2.349053     -6.044087      2.349367
  N      -3.766029     -6.136114      2.772406
  C      -4.663828     -6.102643      1.600770
  C      -6.056169     -5.657925      1.997305
  N      -6.011365     -4.516457      2.909087
  Mo     -4.175782     -4.400204      4.018355
  N      -2.976613     -5.621141      5.222787
  C      -3.153798     -7.043440      4.944472
  C      -3.988459     -7.267735      3.681676
  H      -3.640794     -7.596767      5.774202
  H      -2.179692     -7.554589      4.795623
  H      -5.068121     -7.307481      3.899448
  H      -3.727222     -8.234321      3.204780
  H      -6.585826     -5.425220      1.052559
  H      -6.609337     -6.522115      2.431287
  H      -4.240467     -5.371892      0.900053
  H      -4.681440     -7.087410      1.097539
  H      -0.950987     -4.530417      1.895507
  H      -2.341215     -4.522801      0.818835
  H      -1.732816     -6.275827      3.222603
  H      -2.135023     -6.782521      1.554630
  C      -2.545509     -2.282542      2.130648
  C      -1.072492     -2.019680      1.721048
  C      -0.030907     -2.206174      2.821499
  C       1.387105     -1.973033      2.300245
  C       2.488053     -2.334562      3.279139
  Cl      2.632535     -4.133036      3.489286
  C      -2.993314     -1.193911      3.118090
  C      -3.015237      0.224424      2.540930
  C      -3.922048      0.297459      1.309995
  C      -3.514569     -0.745474      0.267097
  C      -3.454860     -2.151929      0.874232
  C      -7.382556     -4.162502      3.363783
  C      -8.067164     -5.226426      4.330029
  C      -7.170243     -5.817684      5.382639
  C      -7.584073     -7.184769      5.966060
  C      -8.892065     -7.047564      6.722354
  Cl     -9.366175     -8.617028      7.512952
  C      -7.380924     -2.795141      4.079029
  C      -6.941117     -1.647077      3.172559
  C      -7.841930     -1.537946      1.940957
  C      -7.922030     -2.881435      1.210492
  C      -8.357087     -3.993709      2.165473
  C      -2.355167     -5.367184      6.551428
  C      -3.384494     -5.674269      7.669005
  C      -3.037511     -5.288645      9.107150
  C      -4.177028     -5.653842     10.059743
  C      -3.974926     -5.202496     11.492278
  Cl     -2.577831     -6.049370     12.289066
  C      -1.086896     -6.242311      6.756866
  C       0.086662     -5.722538      5.929959
  C       0.579297     -4.375209      6.499554
  C      -0.540738     -3.656450      7.270592
  C      -1.902382     -3.878483      6.606933
  H      -0.810829     -2.669436      0.869506
  H      -0.992944     -0.994722      1.328626
  H      -0.108965     -3.220460      3.239533
  H      -0.222726     -1.516973      3.660820
  H       1.544051     -2.540564      1.368208
  H       1.517548     -0.907060      2.039980
  H       2.299931     -1.931380      4.282907
  H       3.473271     -2.002375      2.932348
  H      -4.017859     -1.450799      3.412598
  H      -2.366035     -1.237488      4.023103
  H      -1.996763      0.550802      2.270349
  H      -3.364005      0.928227      3.313961
  H      -3.907219      1.309592      0.875224
  H      -4.963247      0.101351      1.622118
  H      -2.534433     -0.474520     -0.160553
  H      -4.227752     -0.739396     -0.573313
  H      -3.125924     -2.868030      0.104706
  H      -4.466970     -2.461805      1.184850
  H      -8.970644     -4.763074      4.768651
  H      -8.427648     -6.066293      3.713717
  H      -7.093794     -4.101765      6.438844
  H      -5.848792     -6.135696      5.052898
  H      -6.809549     -7.505034      6.680047
  H      -7.648720     -7.953574      5.181079
  H      -9.730875     -6.775883      6.071603
  H      -8.792882     -6.314460      7.533013
  H      -6.748600     -2.847292      4.972983
  H      -8.409540     -2.603705      4.432227
  H      -6.933470     -0.695752      3.730894
  H      -5.910408     -1.842049      2.838888
  H      -7.475817     -0.748112      1.265390
  H      -8.857963     -1.240125      2.257606
  H      -6.930395     -3.129747      0.797345
  H      -8.621329     -2.814586      0.361847
  H      -8.482180     -4.945518      1.628927
  H      -9.351723     -3.751117      2.580813
  H      -4.322924     -5.174785      7.388499
  H      -3.604577     -6.756139      7.652445
  H      -2.115077     -5.786749      9.444247
  H      -2.850660     -4.203121      9.179508
  H      -4.352373     -6.741836     10.040711
  H      -5.114790     -5.185481      9.705022
  H      -3.742970     -4.131361     11.555516
  H      -4.846592     -5.422229     12.119781
  H      -1.309426     -7.293228      6.530575
  H      -0.810749     -6.223438      7.823451
  H      -0.251736     -5.588902      4.888956
  H       0.909372     -6.452263      5.902448
  H       1.442382     -4.535390      7.165009
  H       0.938532     -3.737475      5.678878
  H      -0.327638     -2.576746      7.324504
  H      -0.572636     -4.012199      8.312187
  H      -2.662489     -3.279839      7.130866
  H      -1.846345     -3.518282      5.565655
  N      -4.416769     -2.528139      5.411220
  H      -3.525435     -2.047087      5.543542
  H      -4.711180     -2.847092      6.336745
  H      -5.092346     -1.820613      5.108671
  N      -5.635893     -5.039357      5.417680
  N      -6.606825     -5.016654      6.485295
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.808274167608
  N      -2.725219     -3.630180      2.742580
  C      -2.054408     -4.620302      1.887874
  C      -2.338045     -6.036449      2.346333
  N      -3.753928     -6.142446      2.769336
  C      -4.653281     -6.114666      1.597067
  C      -6.048114     -5.673835      1.991517
  N      -6.012161     -4.522308      2.891049
  Mo     -4.179222     -4.413946      4.021815
  N      -2.966694     -5.623541      5.221225
  C      -3.135274     -7.047681      4.942333
  C      -3.964950     -7.277896      3.675842
  H      -3.621098     -7.603976      5.770480
  H      -2.156947     -7.551464      4.797078
  H      -5.044777     -7.330945      3.890945
  H      -3.695141     -8.241071      3.196931
  H      -6.581578     -5.453498      1.045857
  H      -6.594220     -6.538195      2.434108
  H      -4.232376     -5.384903      0.893693
  H      -4.667625     -7.101354      1.097795
  H      -0.953065     -4.510969      1.898003
  H      -2.344381     -4.507085      0.822925
  H      -1.719451     -6.267247      3.218099
  H      -2.118408     -6.768361      1.547150
  C      -2.541327     -2.272399      2.159845
  C      -1.071403     -2.016065      1.736026
  C      -0.007772     -2.244665      2.809086
  C       1.397330     -1.997515      2.258267
  C       2.526029     -2.407121      3.184827
  Cl      2.673308     -4.214271      3.299201
  C      -2.971026     -1.196614      3.169485
  C      -2.987256      0.231689      2.618602
  C      -3.903083      0.333769      1.396298
  C      -3.513959     -0.694389      0.331871
  C      -3.462947     -2.111373      0.914528
  C      -7.384535     -4.178831      3.350335
  C      -8.070322     -5.241622      4.325101
  C      -7.184613     -5.835689      5.385203
  C      -7.609613     -7.188853      5.983520
  C      -8.920032     -7.030260      6.730200
  Cl     -9.414394     -8.584501      7.538033
  C      -7.390745     -2.807050      4.056504
  C      -6.958527     -1.661827      3.142497
  C      -7.860212     -1.566440      1.910316
  C      -7.934839     -2.915510      1.189549
  C      -8.362315     -4.024177      2.152718
  C      -2.355178     -5.357753      6.551064
  C      -3.387979     -5.662582      7.665485
  C      -3.046734     -5.269144      9.102734
  C      -4.187190     -5.633860     10.054360
  C      -3.989523     -5.173106     11.484655
  Cl     -2.589045     -6.007399     12.289186
  C      -1.080914     -6.221389      6.767726
  C       0.089460     -5.694129      5.940019
  C       0.569290     -4.338673      6.500933
  C      -0.558476     -3.624625      7.264604
  C      -1.914181     -3.864729      6.596719
  H      -0.830963     -2.644011      0.862008
  H      -0.986898     -0.981327      1.371072
  H      -0.078726     -3.272547      3.196320
  H      -0.176210     -1.581844      3.674394
  H       1.523981     -2.524267      1.298041
  H       1.526135     -0.921753      2.041067
  H       2.370599     -2.053510      4.212671
  H       3.501049     -2.059697      2.824380
  H      -3.994922     -1.451238      3.469054
  H      -2.335030     -1.261939      4.067226
  H      -1.968706      0.557143      2.347077
  H      -3.326758      0.922996      3.406944
  H      -3.881425      1.353209      0.979184
  H      -4.943640      0.141649      1.713098
  H      -2.535638     -0.424747     -0.100579
  H      -4.235377     -0.667145     -0.501131
  H      -3.150350     -2.818714      0.130533
  H      -4.475452     -2.414241      1.230982
  H      -8.969359     -4.769762      4.765318
  H      -8.442718     -6.075681      3.707960
  H      -7.110829     -4.108590      6.393842
  H      -5.827342     -6.171600      5.063701
  H      -6.841488     -7.516216      6.700881
  H      -7.677904     -7.959585      5.200134
  H      -9.752614     -6.757481      6.071813
  H      -8.820362     -6.286944      7.531806
  H      -6.755958     -2.846106      4.949361
  H      -8.419333     -2.619008      4.411679
  H      -6.958929     -0.707306      3.695508
  H      -5.926452     -1.851494      2.811595
  H      -7.496763     -0.780558      1.228495
  H      -8.877232     -1.269688      2.224815
  H      -6.942431     -3.161715      0.777171
  H      -8.636302     -2.857691      0.341976
  H      -8.481231     -4.980295      1.622185
  H      -9.357774     -3.785228      2.568147
  H      -4.326883     -5.167233      7.378202
  H      -3.604114     -6.745327      7.653229
  H      -2.123746     -5.763263      9.444331
  H      -2.862506     -4.182901      9.170979
  H      -4.358028     -6.722513     10.041085
  H      -5.125439     -5.168801      9.696211
  H      -3.763651     -4.100321     11.541743
  H      -4.860833     -5.393717     12.112387
  H      -1.292592     -7.274910      6.543726
  H      -0.809142     -6.196451      7.835110
  H      -0.249660     -5.569670      4.897971
  H       0.918903     -6.416387      5.917447
  H       1.431895     -4.487308      7.169700
  H       0.924063     -3.704153      5.675266
  H      -0.356951     -2.542449      7.312543
  H      -0.589318     -3.974722      8.308093
  H      -2.681310     -3.267543      7.111755
  H      -1.855835     -3.513727      5.552076
  N      -4.425869     -2.559942      5.418065
  H      -3.531299     -2.082713      5.545097
  H      -4.715733     -2.872885      6.347794
  H      -5.099073     -1.846358      5.123827
  N      -5.629175     -5.067916      5.394472
  N      -6.625849     -5.025755      6.465850
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.811153161717
  N      -2.734525     -3.630164      2.737932
  C      -2.066141     -4.616073      1.876263
  C      -2.339940     -6.034640      2.332022
  N      -3.752725     -6.148325      2.762883
  C      -4.658085     -6.121924      1.594785
  C      -6.050703     -5.680887      1.993425
  N      -6.013242     -4.520594      2.879220
  Mo     -4.180071     -4.424459      4.024548
  N      -2.955911     -5.631272      5.214900
  C      -3.123266     -7.055521      4.935075
  C      -3.953589     -7.286538      3.668480
  H      -3.608974     -7.612079      5.763211
  H      -2.144369     -7.557951      4.790597
  H      -5.032814     -7.348292      3.885349
  H      -3.679261     -8.246908      3.186376
  H      -6.591461     -5.471783      1.049037
  H      -6.591865     -6.542496      2.448133
  H      -4.239589     -5.394134      0.887827
  H      -4.674970     -7.109974      1.098417
  H      -0.965293     -4.502857      1.878312
  H      -2.364045     -4.501723      0.813728
  H      -1.715234     -6.266275      3.199045
  H      -2.122123     -6.762246      1.528438
  C      -2.547621     -2.268094      2.166586
  C      -1.075568     -2.003754      1.755254
  C      -0.016894     -2.238531      2.831830
  C       1.389315     -1.974792      2.291021
  C       2.517062     -2.395155      3.213863
  Cl      2.672981     -4.203604      3.295448
  C      -2.987660     -1.202646      3.183222
  C      -3.003535      0.230898      2.646239
  C      -3.907795      0.343654      1.416238
  C      -3.507579     -0.674284      0.345983
  C      -3.460381     -2.096767      0.915439
  C      -7.381961     -4.187418      3.344649
  C      -8.063838     -5.247948      4.324922
  C      -7.188886     -5.843213      5.393548
  C      -7.630941     -7.179447      6.002088
  C      -8.943238     -6.992553      6.739957
  Cl     -9.465632     -8.526673      7.568988
  C      -7.394996     -2.812175      4.042983
  C      -6.969913     -1.669461      3.122683
  C      -7.872557     -1.585297      1.890517
  C      -7.944311     -2.938962      1.178294
  C      -8.364070     -4.043882      2.149033
  C      -2.342407     -5.362498      6.543488
  C      -3.380934     -5.649369      7.657124
  C      -3.036869     -5.255524      9.093457
  C      -4.182886     -5.602825     10.044867
  C      -3.981784     -5.138193     11.473431
  Cl     -2.589970     -5.982564     12.282705
  C      -1.077254     -6.237731      6.767116
  C       0.098664     -5.728446      5.935848
  C       0.592470     -4.374139      6.487414
  C      -0.528449     -3.643700      7.245362
  C      -1.886610     -3.873613      6.578812
  H      -0.826687     -2.621729      0.876656
  H      -0.992250     -0.964996      1.401381
  H      -0.082497     -3.271365      3.206611
  H      -0.194307     -1.586770      3.703734
  H       1.522654     -2.483602      1.322030
  H       1.513274     -0.894732      2.093209
  H       2.357251     -2.061179      4.247592
  H       3.491519     -2.036513      2.862975
  H      -4.013349     -1.463240      3.473185
  H      -2.357776     -1.274907      4.084813
  H      -1.983543      0.562925      2.388575
  H      -3.353623      0.912593      3.438357
  H      -3.882395      1.366994      1.009031
  H      -4.951024      0.148262      1.721059
  H      -2.525825     -0.399331     -0.075180
  H      -4.221656     -0.639764     -0.493097
  H      -3.141628     -2.796815      0.127653
  H      -4.475088     -2.403075      1.221387
  H      -8.958675     -4.765587      4.763507
  H      -8.445178     -6.079301      3.709309
  H      -7.103773     -4.098425      6.352805
  H      -5.798078     -6.201453      5.083046
  H      -6.869500     -7.514427      6.723137
  H      -7.710279     -7.954777      5.224156
  H      -9.768208     -6.716705      6.073461
  H      -8.837959     -6.238977      7.531366
  H      -6.758572     -2.841143      4.934896
  H      -8.423549     -2.627455      4.399979
  H      -6.976617     -0.712285      3.671132
  H      -5.936693     -1.855268      2.794214
  H      -7.511794     -0.803104      1.203043
  H      -8.889961     -1.288738      2.203992
  H      -6.952113     -3.184234      0.765024
  H      -8.648557     -2.888613      0.332547
  H      -8.478646     -5.003759      1.624197
  H      -9.359706     -3.807780      2.565766
  H      -4.312878     -5.143704      7.365536
  H      -3.611738     -6.729172      7.648145
  H      -2.120715     -5.760389      9.437719
  H      -2.838725     -4.171528      9.158672
  H      -4.366380     -6.689454     10.035971
  H      -5.115104     -5.127835      9.683776
  H      -3.745665     -4.067397     11.526177
  H      -4.855541     -5.347701     12.101555
  H      -1.300030     -7.290155      6.549326
  H      -0.805932     -6.208990      7.834471
  H      -0.239546     -5.607837      4.893039
  H       0.920456     -6.459499      5.917858
  H       1.452414     -4.527680      7.158478
  H       0.954919     -3.749357      5.657797
  H      -0.316384     -2.563358      7.288070
  H      -0.563236     -3.988472      8.290513
  H      -2.646669     -3.264705      7.090706
  H      -1.825903     -3.529893      5.531843
  N      -4.417167     -2.580764      5.423726
  H      -3.517209     -2.110664      5.540587
  H      -4.700066     -2.888378      6.357731
  H      -5.085778     -1.859201      5.138237
  N      -5.616707     -5.088513      5.383532
  N      -6.627943     -5.017575      6.449801
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.814607521223
  N      -2.743690     -3.624916      2.736887
  C      -2.072126     -4.604566      1.869529
  C      -2.333870     -6.026623      2.321355
  N      -3.743983     -6.151038      2.757026
  C      -4.654378     -6.123263      1.592715
  C      -6.046718     -5.687595      1.994228
  N      -6.012941     -4.522150      2.869609
  Mo     -4.178494     -4.434786      4.031147
  N      -2.944603     -5.638887      5.209471
  C      -3.102557     -7.062839      4.925099
  C      -3.933920     -7.294593      3.658868
  H      -3.587395     -7.622214      5.752648
  H      -2.121422     -7.560146      4.781905
  H      -5.012230     -7.368103      3.877205
  H      -3.649652     -8.249686      3.171874
  H      -6.592165     -5.488477      1.050035
  H      -6.582778     -6.548922      2.456640
  H      -4.238879     -5.393813      0.885644
  H      -4.670613     -7.110976      1.095384
  H      -0.972348     -4.482471      1.865393
  H      -2.376899     -4.489888      0.809198
  H      -1.704643     -6.259084      3.185010
  H      -2.114905     -6.749583      1.513925
  C      -2.557858     -2.260074      2.168525
  C      -1.083036     -1.992114      1.769614
  C      -0.033197     -2.228505      2.854366
  C       1.377107     -1.957583      2.327997
  C       2.497199     -2.386207      3.256395
  Cl      2.652588     -4.195700      3.321239
  C      -3.008614     -1.196155      3.181655
  C      -3.025339      0.237486      2.644808
  C      -3.919299      0.348907      1.407366
  C      -3.506320     -0.668016      0.341176
  C      -3.460210     -2.090899      0.909542
  C      -7.376387     -4.195404      3.343704
  C      -8.055973     -5.249458      4.329858
  C      -7.195147     -5.844122      5.411570
  C      -7.660092     -7.161632      6.021753
  C      -8.975251     -6.935403      6.747217
  Cl     -9.543949     -8.441847      7.600258
  C      -7.387386     -2.814804      4.032940
  C      -6.970276     -1.677537      3.102120
  C      -7.879867     -1.601663      1.874862
  C      -7.957212     -2.960020      1.172428
  C      -8.367859     -4.058550      2.153297
  C      -2.328015     -5.367977      6.537362
  C      -3.369259     -5.646155      7.650309
  C      -3.023390     -5.256490      9.087195
  C      -4.173485     -5.595980     10.036549
  C      -3.971863     -5.135462     11.466186
  Cl     -2.585572     -5.989112     12.275447
  C      -1.070277     -6.251332      6.765072
  C       0.109662     -5.754520      5.931719
  C       0.612079     -4.400599      6.476723
  C      -0.504144     -3.659776      7.230872
  C      -1.864475     -3.882050      6.566322
  H      -0.825425     -2.607220      0.891815
  H      -0.998866     -0.952294      1.418851
  H      -0.098612     -3.263640      3.223215
  H      -0.220539     -1.581671      3.727776
  H       1.520116     -2.456066      1.355005
  H       1.501450     -0.875558      2.141489
  H       2.329125     -2.062868      4.292156
  H       3.474593     -2.023789      2.917757
  H      -4.035715     -1.460047      3.463745
  H      -2.384967     -1.265028      4.087629
  H      -2.004458      0.573972      2.396980
  H      -3.385454      0.916492      3.434814
  H      -3.892257      1.372342      1.000701
  H      -4.964353      0.151416      1.703167
  H      -2.521332     -0.389888     -0.070290
  H      -4.212126     -0.635206     -0.504962
  H      -3.132852     -2.788807      0.123677
  H      -4.476289     -2.401665      1.206297
  H      -8.946475     -4.747578      4.756612
  H      -8.445502     -6.083003      3.722200
  H      -7.084115     -4.082651      6.326490
  H      -5.763257     -6.227946      5.112210
  H      -6.908269     -7.506978      6.748141
  H      -7.758784     -7.944550      5.253729
  H      -9.787572     -6.652059      6.069105
  H      -8.859766     -6.172719      7.528368
  H      -6.745020     -2.835675      4.921024
  H      -8.413585     -2.628657      4.395972
  H      -6.975752     -0.717100      3.644893
  H      -5.938601     -1.864404      2.770003
  H      -7.523576     -0.824756      1.179264
  H      -8.894846     -1.301770      2.193070
  H      -6.968348     -3.208226      0.753058
  H      -8.668226     -2.915426      0.332085
  H      -8.485549     -5.021820      1.635628
  H      -9.360604     -3.820628      2.576001
  H      -4.296880     -5.135340      7.356625
  H      -3.610260     -6.724044      7.639335
  H      -2.111825     -5.768940      9.432314
  H      -2.817013     -4.174020      9.153872
  H      -4.364886     -6.681357     10.025455
  H      -5.102208     -5.115261      9.674100
  H      -3.730057     -4.066084     11.521576
  H      -4.847411     -5.341584     12.092868
  H      -1.301411     -7.303153      6.553801
  H      -0.800532     -6.218339      7.832729
  H      -0.226879     -5.636891      4.888028
  H       0.926301     -6.491378      5.917624
  H       1.469857     -4.557126      7.149845
  H       0.980312     -3.782249      5.644677
  H      -0.284826     -2.580859      7.271809
  H      -0.542310     -4.002062      8.276884
  H      -2.618901     -3.267002      7.079553
  H      -1.806048     -3.539630      5.519048
  N      -4.416489     -2.602082      5.436123
  H      -3.513949     -2.134895      5.543537
  H      -4.693350     -2.909328      6.372128
  H      -5.083319     -1.875739      5.158437
  N      -5.600065     -5.108328      5.384243
  N      -6.624299     -5.002782      6.445695
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.818495409579
  N      -2.750703     -3.624170      2.730527
  C      -2.078300     -4.599752      1.857136
  C      -2.329711     -6.024338      2.309257
  N      -3.736481     -6.157466      2.752164
  C      -4.652876     -6.130718      1.593345
  C      -6.043998     -5.699675      1.999309
  N      -6.012065     -4.527844      2.861925
  Mo     -4.173601     -4.445480      4.034983
  N      -2.934453     -5.646862      5.202507
  C      -3.083114     -7.070586      4.916712
  C      -3.917522     -7.304236      3.652907
  H      -3.566484     -7.630333      5.745882
  H      -2.100575     -7.564079      4.774487
  H      -4.994339     -7.385247      3.874789
  H      -3.624675     -8.255513      3.163377
  H      -6.594597     -5.512191      1.055145
  H      -6.575592     -6.559134      2.471462
  H      -4.241917     -5.401070      0.884011
  H      -4.669267     -7.119050      1.096689
  H      -0.979947     -4.470325      1.845095
  H      -2.391602     -4.486333      0.799356
  H      -1.694758     -6.256303      3.169114
  H      -2.111766     -6.745531      1.499935
  C      -2.568422     -2.253776      2.168372
  C      -1.091381     -1.976103      1.782015
  C      -0.050785     -2.211916      2.875339
  C       1.363663     -1.929815      2.366857
  C       2.474190     -2.365091      3.303707
  Cl      2.632657     -4.175049      3.351300
  C      -3.029192     -1.196733      3.183816
  C      -3.048018      0.239341      2.652336
  C      -3.933563      0.354431      1.409138
  C      -3.509861     -0.657902      0.342826
  C      -3.462658     -2.083311      0.904566
  C      -7.370718     -4.203394      3.341106
  C      -8.049160     -5.246894      4.334155
  C      -7.205368     -5.833427      5.435927
  C      -7.696464     -7.132139      6.045692
  C      -9.013229     -6.861548      6.758598
  Cl     -9.632878     -8.335387      7.638706
  C      -7.383940     -2.814507      4.015947
  C      -6.971814     -1.687072      3.071582
  C      -7.883022     -1.625007      1.845038
  C      -7.962031     -2.990929      1.157593
  C      -8.366913     -4.078985      2.151117
  C      -2.313039     -5.375916      6.530817
  C      -3.354801     -5.649901      7.644401
  C      -3.006054     -5.264577      9.081621
  C      -4.158050     -5.599681     10.030343
  C      -3.955824     -5.143876     11.461095
  Cl     -2.572145     -6.004109     12.267815
  C      -1.061826     -6.266912      6.758132
  C       0.121000     -5.780647      5.922897
  C       0.631463     -4.428278      6.464219
  C      -0.479458     -3.679864      7.217989
  C      -1.843126     -3.893016      6.556990
  H      -0.823340     -2.585162      0.903459
  H      -1.009809     -0.934325      1.436445
  H      -0.113802     -3.249425      3.237063
  H      -0.251268     -1.571783      3.750613
  H       1.519885     -2.416753      1.390055
  H       1.486453     -0.845612      2.192433
  H       2.293586     -2.053596      4.340943
  H       3.454653     -1.996576      2.980889
  H      -4.057155     -1.465087      3.459741
  H      -2.410123     -1.264419      4.092874
  H      -2.026620      0.580346      2.413544
  H      -3.415773      0.912853      3.443581
  H      -3.905405      1.379344      1.006523
  H      -4.980120      0.154802      1.697048
  H      -2.522269     -0.375096     -0.059272
  H      -4.208219     -0.624201     -0.509432
  H      -3.127232     -2.775005      0.116691
  H      -4.478855     -2.401507      1.192503
  H      -8.938041     -4.722972      4.738454
  H      -8.441220     -6.089731      3.741361
  H      -7.059211     -4.055582      6.305433
  H      -5.726226     -6.240242      5.151857
  H      -6.956033     -7.485273      6.780504
  H      -7.818813     -7.927563      5.294474
  H      -9.811301     -6.572106      6.067148
  H      -8.885025     -6.089707      7.528339
  H      -6.739842     -2.824477      4.902658
  H      -8.409628     -2.626014      4.379381
  H      -6.977824     -0.721051      3.604315
  H      -5.940355     -1.877079      2.741043
  H      -7.529069     -0.855877      1.139858
  H      -8.897235     -1.321349      2.162324
  H      -6.974529     -3.242770      0.737030
  H      -8.675953     -2.956397      0.319296
  H      -8.484681     -5.048214      1.644553
  H      -9.358696     -3.838295      2.574572
  H      -4.280298     -5.136348      7.350918
  H      -3.603628     -6.726403      7.629720
  H      -2.097241     -5.781893      9.426336
  H      -2.794905     -4.183016      9.149845
  H      -4.354463     -6.684340     10.016467
  H      -5.085302     -5.116945      9.667277
  H      -3.711002     -4.075379     11.520048
  H      -4.832106     -5.349537     12.086808
  H      -1.301389     -7.317915      6.552626
  H      -0.792475     -6.231008      7.825805
  H      -0.214279     -5.663511      4.878817
  H       0.932888     -6.522726      5.910327
  H       1.488323     -4.588484      7.137670
  H       1.003617     -3.814157      5.631024
  H      -0.252664     -2.602532      7.259678
  H      -0.520221     -4.022013      8.264109
  H      -2.591313     -3.273959      7.074753
  H      -1.789022     -3.548273      5.510635
  N      -4.407467     -2.612339      5.437376
  H      -3.502067     -2.148321      5.532798
  H      -4.678509     -2.917303      6.375508
  H      -5.072278     -1.883205      5.162254
  N      -5.585254     -5.120314      5.396176
  N      -6.619324     -4.973272      6.447779
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.822925907140
  N      -2.756072     -3.617065      2.730769
  C      -2.082068     -4.587131      1.851779
  C      -2.322840     -6.014168      2.303240
  N      -3.726651     -6.158144      2.751687
  C      -4.648092     -6.133110      1.597990
  C      -6.038372     -5.707274      2.009947
  N      -6.008274     -4.529763      2.862624
  Mo     -4.166669     -4.452622      4.043838
  N      -2.924589     -5.652430      5.199432
  C      -3.061791     -7.076052      4.910005
  C      -3.898584     -7.309851      3.648423
  H      -3.541927     -7.638788      5.739525
  H      -2.077127     -7.563957      4.766622
  H      -4.973550     -7.397759      3.873771
  H      -3.597331     -8.256455      3.154840
  H      -6.593500     -5.529877      1.066171
  H      -6.565185     -6.565581      2.490172
  H      -4.243214     -5.402108      0.886708
  H      -4.663765     -7.121422      1.100793
  H      -0.985142     -4.449351      1.832692
  H      -2.403322     -4.474557      0.796181
  H      -1.682272     -6.245105      3.159527
  H      -2.104545     -6.732675      1.491559
  C      -2.577254     -2.245684      2.166541
  C      -1.098497     -1.967841      1.784556
  C      -0.062421     -2.201011      2.882514
  C       1.354289     -1.917608      2.381460
  C       2.459250     -2.359454      3.321877
  Cl      2.614122     -4.169930      3.360003
  C      -3.042697     -1.183984      3.174031
  C      -3.062978      0.249140      2.633460
  C      -3.944537      0.354967      1.386551
  C      -3.514820     -0.663602      0.328926
  C      -3.466171     -2.085409      0.899137
  C      -7.363566     -4.205096      3.343525
  C      -8.044280     -5.240894      4.339171
  C      -7.219896     -5.822072      5.460688
  C      -7.736543     -7.108902      6.061952
  C      -9.054008     -6.803104      6.764727
  Cl     -9.717284     -8.252871      7.658627
  C      -7.377331     -2.809927      4.008283
  C      -6.965856     -1.689866      3.055205
  C      -7.875967     -1.636408      1.827733
  C      -7.957202     -3.007388      1.150504
  C      -8.361480     -4.087529      2.151910
  C      -2.302421     -5.383838      6.531005
  C      -3.343409     -5.666455      7.643385
  C      -2.996049     -5.285912      9.081969
  C      -4.146786     -5.630175     10.029080
  C      -3.948503     -5.179426     11.461725
  Cl     -2.559267     -6.034068     12.264445
  C      -1.048894     -6.271251      6.755416
  C       0.132341     -5.779361      5.921493
  C       0.637065     -4.425587      6.464887
  C      -0.476097     -3.683341      7.220502
  C      -1.839808     -3.899581      6.560517
  H      -0.827945     -2.578847      0.908096
  H      -1.015663     -0.927245      1.436134
  H      -0.125571     -3.238387      3.244612
  H      -0.268003     -1.560780      3.756376
  H       1.514958     -2.399579      1.402926
  H       1.479537     -0.832963      2.211862
  H       2.273539     -2.053633      4.359890
  H       3.442075     -1.990617      3.006746
  H      -4.070906     -1.451044      3.448431
  H      -2.425921     -1.242128      4.085121
  H      -2.041474      0.590809      2.396637
  H      -3.434775      0.925972      3.419965
  H      -3.916620      1.377127      0.977157
  H      -4.991761      0.155978      1.672817
  H      -2.525836     -0.381416     -0.070261
  H      -4.208659     -0.637364     -0.527237
  H      -3.125554     -2.779587      0.115499
  H      -4.481955     -2.406722      1.184220
  H      -8.933015     -4.699942      4.721863
  H      -8.436445     -6.091436      3.758185
  H      -7.038781     -4.038656      6.293306
  H      -5.686150     -6.240465      5.193940
  H      -7.008784     -7.472299      6.805269
  H      -7.880320     -7.912409      5.323892
  H      -9.838745     -6.506068      6.061941
  H      -8.914970     -6.028053      7.528863
  H      -6.732593     -2.812819      4.894906
  H      -8.402737     -2.618582      4.370829
  H      -6.971924     -0.720088      3.580864
  H      -5.933993     -1.882896      2.727588
  H      -7.521176     -0.873243      1.116648
  H      -8.889783     -1.328543      2.142396
  H      -6.970370     -3.262832      0.730351
  H      -8.671704     -2.978854      0.312500
  H      -8.480046     -5.060710      1.653346
  H      -9.352947     -3.843410      2.574106
  H      -4.271487     -5.156550      7.351806
  H      -3.589840     -6.743618      7.621781
  H      -2.085051     -5.800009      9.425266
  H      -2.790720     -4.203471      9.154243
  H      -4.337392     -6.715959     10.010511
  H      -5.077061     -5.153790      9.666094
  H      -3.711128     -4.109565     11.526085
  H      -4.823720     -5.394257     12.085766
  H      -1.285583     -7.322878      6.550351
  H      -0.780859     -6.234925      7.823386
  H      -0.202327     -5.661286      4.877407
  H       0.947149     -6.518163      5.907554
  H       1.494642     -4.583144      7.138082
  H       1.006439     -3.808545      5.632746
  H      -0.252556     -2.605465      7.265856
  H      -0.516742     -4.028464      8.265678
  H      -2.589008     -3.285179      7.082550
  H      -1.790494     -3.549862      5.515791
  N      -4.402086     -2.624908      5.452755
  H      -3.496060     -2.161711      5.542106
  H      -4.667921     -2.935446      6.390319
  H      -5.067672     -1.895091      5.181786
  N      -5.574394     -5.133507      5.418932
  N      -6.617860     -4.951081      6.454487
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.828195374342
  N      -2.760834     -3.613981      2.723469
  C      -2.085118     -4.581519      1.842829
  C      -2.315999     -6.009070      2.300096
  N      -3.717323     -6.162758      2.753791
  C      -4.642307     -6.147112      1.604539
  C      -6.031536     -5.724720      2.023010
  N      -6.002372     -4.537692      2.863887
  Mo     -4.158865     -4.457802      4.044768
  N      -2.917496     -5.652153      5.196788
  C      -3.044666     -7.077552      4.909802
  C      -3.881472     -7.315995      3.650280
  H      -3.520545     -7.640536      5.741232
  H      -2.057669     -7.560503      4.766278
  H      -4.954775     -7.408142      3.877758
  H      -3.573001     -8.260234      3.156621
  H      -6.591076     -5.559851      1.079817
  H      -6.552712     -6.580013      2.514196
  H      -4.245434     -5.417449      0.887491
  H      -4.656343     -7.137367      1.110974
  H      -0.989334     -4.437250      1.818694
  H      -2.411825     -4.473754      0.788344
  H      -1.669905     -6.234016      3.154219
  H      -2.096460     -6.728485      1.489429
  C      -2.585401     -2.239088      2.165952
  C      -1.106033     -1.957170      1.787023
  C      -0.071358     -2.198380      2.884076
  C       1.345961     -1.908194      2.388700
  C       2.448971     -2.362516      3.325514
  Cl      2.603315     -4.173088      3.340380
  C      -3.051339     -1.183871      3.179460
  C      -3.073087      0.252706      2.646340
  C      -3.954539      0.364250      1.399591
  C      -3.524919     -0.649213      0.337201
  C      -3.474552     -2.073593      0.900600
  C      -7.358703     -4.209261      3.340651
  C      -8.045419     -5.235090      4.340963
  C      -7.241673     -5.806176      5.483821
  C      -7.778005     -7.085811      6.080111
  C      -9.094984     -6.755569      6.776341
  Cl     -9.784547     -8.190204      7.679508
  C      -7.373655     -2.806535      3.991657
  C      -6.957734     -1.697368      3.028433
  C      -7.863245     -1.654683      1.797326
  C      -7.946064     -3.032186      1.133490
  C      -8.354884     -4.101348      2.144386
  C      -2.292325     -5.386526      6.531640
  C      -3.332408     -5.675835      7.643111
  C      -2.987118     -5.299711      9.082927
  C      -4.137949     -5.652672     10.026964
  C      -3.945381     -5.205150     11.461244
  Cl     -2.551937     -6.053226     12.263065
  C      -1.037468     -6.273291      6.749930
  C       0.140635     -5.778715      5.913667
  C       0.645486     -4.425128      6.457478
  C      -0.464954     -3.686039      7.219549
  C      -1.831262     -3.902127      6.564650
  H      -0.835628     -2.561110      0.905465
  H      -1.022947     -0.914212      1.446165
  H      -0.133294     -3.239049      3.237063
  H      -0.279554     -1.566452      3.763313
  H       1.508211     -2.377353      1.404217
  H       1.471901     -0.821660      2.232517
  H       2.260598     -2.070068      4.366932
  H       3.432537     -1.989774      3.017424
  H      -4.079199     -1.451575      3.454154
  H      -2.433541     -1.243896      4.089711
  H      -2.051724      0.596131      2.411648
  H      -3.444924      0.924798      3.436779
  H      -3.926573      1.388190      0.994652
  H      -5.002120      0.164717      1.685436
  H      -2.535869     -0.364986     -0.060434
  H      -4.217983     -0.619898     -0.519433
  H      -3.133470     -2.762239      0.112175
  H      -4.489514     -2.398534      1.183780
  H      -8.936542     -4.683623      4.703736
  H      -8.434325     -6.094049      3.771185
  H      -7.030636     -4.020044      6.278853
  H      -5.646754     -6.217148      5.238314
  H      -7.061912     -7.454659      6.833238
  H      -7.936728     -7.896963      5.354578
  H      -9.870834     -6.455464      6.065181
  H      -8.947935     -5.978080      7.536137
  H      -6.730415     -2.800104      4.880203
  H      -8.399686     -2.610686      4.349546
  H      -6.963296     -0.722410      3.544098
  H      -5.924937     -1.896145      2.706945
  H      -7.503906     -0.899580      1.079903
  H      -8.877443     -1.340844      2.104954
  H      -6.958758     -3.293021      0.717545
  H      -8.658372     -3.010935      0.293370
  H      -8.474171     -5.079435      1.656287
  H      -9.347052     -3.851436      2.561404
  H      -4.262626     -5.167128      7.354572
  H      -3.577052     -6.753223      7.615406
  H      -2.074481     -5.810841      9.426021
  H      -2.787310     -4.216514      9.158547
  H      -4.322426     -6.739522     10.004747
  H      -5.070687     -5.182733      9.662230
  H      -3.715434     -4.133936     11.529978
  H      -4.820557     -5.428224     12.082429
  H      -1.274059     -7.324882      6.544437
  H      -0.766712     -6.238261      7.817229
  H      -0.197000     -5.658535      4.870831
  H       0.956442     -6.516264      5.895210
  H       1.506418     -4.582176      7.126535
  H       1.009499     -3.806026      5.624660
  H      -0.241409     -2.608209      7.266614
  H      -0.502301     -4.033257      8.264095
  H      -2.578270     -3.290158      7.092085
  H      -1.786412     -3.548782      5.520936
  N      -4.402428     -2.623054      5.448425
  H      -3.498900     -2.155000      5.533688
  H      -4.664521     -2.936084      6.385795
  H      -5.072198     -1.899380      5.171936
  N      -5.572434     -5.140229      5.447648
  N      -6.623286     -4.924541      6.460067
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.833362029169
  N      -2.762817     -3.612202      2.720872
  C      -2.088967     -4.577430      1.838571
  C      -2.312246     -6.004311      2.298612
  N      -3.711581     -6.164257      2.756759
  C      -4.640582     -6.152411      1.611366
  C      -6.026966     -5.728646      2.040140
  N      -5.992090     -4.534244      2.875315
  Mo     -4.149728     -4.461533      4.048685
  N      -2.911523     -5.656367      5.198128
  C      -3.032776     -7.083790      4.907992
  C      -3.869114     -7.321280      3.648594
  H      -3.504773     -7.650589      5.737721
  H      -2.043827     -7.562248      4.761602
  H      -4.941493     -7.417002      3.876744
  H      -3.557492     -8.262179      3.150656
  H      -6.593097     -5.569239      1.100545
  H      -6.543380     -6.580548      2.540604
  H      -4.250192     -5.422668      0.890588
  H      -4.656503     -7.142615      1.118272
  H      -0.993464     -4.430809      1.809385
  H      -2.420628     -4.471724      0.785042
  H      -1.661151     -6.225201      3.150093
  H      -2.092707     -6.722917      1.487143
  C      -2.587544     -2.239180      2.163508
  C      -1.108518     -1.957339      1.782576
  C      -0.068660     -2.197568      2.874827
  C       1.344846     -1.902130      2.370593
  C       2.457097     -2.357789      3.295632
  Cl      2.618047     -4.167451      3.300271
  C      -3.054120     -1.181729      3.174091
  C      -3.076073      0.254013      2.637848
  C      -3.956293      0.361552      1.389797
  C      -3.526164     -0.654104      0.329882
  C      -3.475659     -2.076962      0.897413
  C      -7.352289     -4.204038      3.345243
  C      -8.046512     -5.229495      4.341410
  C      -7.264061     -5.801807      5.497230
  C      -7.813289     -7.079375      6.086402
  C      -9.129836     -6.742906      6.779688
  Cl     -9.826166     -8.181038      7.672811
  C      -7.372428     -2.800666      3.994101
  C      -6.951323     -1.692586      3.032556
  C      -7.849526     -1.651882      1.796175
  C      -7.928751     -3.030120      1.133685
  C      -8.343549     -4.097783      2.144289
  C      -2.288258     -5.392814      6.537058
  C      -3.328651     -5.689899      7.644819
  C      -2.990021     -5.313476      9.085843
  C      -4.141400     -5.677052     10.025339
  C      -3.957604     -5.228304     11.460488
  Cl     -2.559067     -6.063558     12.266564
  C      -1.026021     -6.269616      6.757026
  C       0.148058     -5.764599      5.921547
  C       0.641664     -4.406502      6.464689
  C      -0.474014     -3.676195      7.227725
  C      -1.838227     -3.904419      6.572673
  H      -0.841044     -2.561443      0.899789
  H      -1.026343     -0.914483      1.441233
  H      -0.125568     -3.238774      3.227581
  H      -0.273668     -1.566841      3.755800
  H       1.500156     -2.366461      1.382664
  H       1.467042     -0.814610      2.218550
  H       2.276143     -2.070432      4.339868
  H       3.436706     -1.980510      2.980594
  H      -4.081743     -1.447905      3.449690
  H      -2.435704     -1.238814      4.084163
  H      -2.054588      0.597479      2.403362
  H      -3.448941      0.927758      3.426264
  H      -3.927836      1.384438      0.982002
  H      -5.004277      0.162903      1.675221
  H      -2.536798     -0.371122     -0.067800
  H      -4.218375     -0.627072     -0.527456
  H      -3.133031     -2.767298      0.110962
  H      -4.490832     -2.401664      1.179558
  H      -8.941591     -4.679961      4.699210
  H      -8.431926     -6.086120      3.766151
  H      -7.034036     -4.016910      6.264208
  H      -5.607596     -6.191720      5.273276
  H      -7.108923     -7.457784      6.846736
  H      -7.974658     -7.887067      5.358278
  H      -9.901949     -6.436979      6.066404
  H      -8.980296     -5.968899      7.542604
  H      -6.733508     -2.789903      4.886059
  H      -8.400397     -2.606094      4.346584
  H      -6.960116     -0.717018      3.546908
  H      -5.916892     -1.891280      2.717814
  H      -7.484659     -0.897698      1.080336
  H      -8.865683     -1.337202      2.096415
  H      -6.939327     -3.291042      0.722886
  H      -8.636811     -3.009868      0.289869
  H      -8.460851     -5.076739      1.657722
  H      -9.337620     -3.847048      2.556001
  H      -4.261833     -5.184560      7.356528
  H      -3.565820     -6.768555      7.614762
  H      -2.074579     -5.818103      9.431290
  H      -2.798664     -4.228931      9.162747
  H      -4.316206     -6.765370     10.002116
  H      -5.076872     -5.214920      9.657276
  H      -3.738010     -4.155016     11.530566
  H      -4.832997     -5.459962     12.078291
  H      -1.252481     -7.323158      6.551156
  H      -0.755750     -6.232443      7.824359
  H      -0.190606     -5.647150      4.878654
  H       0.970465     -6.494742      5.902985
  H       1.504930     -4.555566      7.132560
  H       0.998326     -3.784674      5.630905
  H      -0.259148     -2.596570      7.273779
  H      -0.507987     -4.022939      8.272469
  H      -2.590691     -3.299227      7.100209
  H      -1.795382     -3.550691      5.528617
  N      -4.393680     -2.631045      5.463600
  H      -3.491631     -2.160646      5.551454
  H      -4.652227     -2.952691      6.399000
  H      -5.065780     -1.909474      5.188627
  N      -5.572465     -5.156202      5.474821
  N      -6.632547     -4.919475      6.461717
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.837366291363
  N      -2.771195     -3.614227      2.712787
  C      -2.094142     -4.577326      1.832183
  C      -2.305915     -6.003310      2.297471
  N      -3.703666     -6.170021      2.758547
  C      -4.635567     -6.165262      1.614548
  C      -6.020008     -5.742324      2.049003
  N      -5.982285     -4.539911      2.875846
  Mo     -4.146363     -4.466710      4.047437
  N      -2.907448     -5.657420      5.202847
  C      -3.019876     -7.086991      4.910767
  C      -3.852949     -7.329003      3.649584
  H      -3.487269     -7.658107      5.739233
  H      -2.026828     -7.557339      4.764161
  H      -4.925145     -7.432152      3.876227
  H      -3.535370     -8.266860      3.149779
  H      -6.593674     -5.591102      1.113319
  H      -6.528866     -6.591168      2.560938
  H      -4.250326     -5.436331      0.889993
  H      -4.650758     -7.156668      1.124545
  H      -0.999023     -4.425702      1.800337
  H      -2.428167     -4.477071      0.779002
  H      -1.651558     -6.216542      3.148267
  H      -2.082770     -6.722674      1.487624
  C      -2.596708     -2.239108      2.166015
  C      -1.118814     -1.951961      1.785806
  C      -0.074533     -2.204923      2.870976
  C       1.335601     -1.897138      2.364042
  C       2.455590     -2.365396      3.273134
  Cl      2.622858     -4.174267      3.245882
  C      -3.063510     -1.193166      3.189178
  C      -3.087251      0.248549      2.669403
  C      -3.966990      0.370244      1.422328
  C      -3.537775     -0.633338      0.350373
  C      -3.486965     -2.062696      0.901903
  C      -7.344224     -4.208796      3.339442
  C      -8.044188     -5.234773      4.331561
  C      -7.282076     -5.810101      5.497138
  C      -7.841118     -7.077074      6.087867
  C      -9.156137     -6.733305      6.778718
  Cl     -9.857013     -8.171373      7.666915
  C      -7.362372     -2.806043      3.987546
  C      -6.935319     -1.699882      3.026737
  C      -7.831005     -1.655874      1.788749
  C      -7.914365     -3.033797      1.126717
  C      -8.334138     -4.099410      2.137985
  C      -2.283490     -5.391673      6.540949
  C      -3.325256     -5.680788      7.648152
  C      -2.989325     -5.301807      9.089099
  C      -4.146115     -5.658701     10.024593
  C      -3.967241     -5.204457     11.458759
  Cl     -2.573842     -6.038949     12.274795
  C      -1.024227     -6.272629      6.761166
  C       0.148561     -5.776428      5.918556
  C       0.651040     -4.418476      6.453363
  C      -0.457333     -3.680436      7.220384
  C      -1.825481     -3.904697      6.572426
  H      -0.852686     -2.544687      0.894876
  H      -1.038456     -0.904681      1.457681
  H      -0.126145     -3.251175      3.209816
  H      -0.277695     -1.586991      3.761592
  H       1.485646     -2.343715      1.367088
  H       1.453881     -0.806655      2.231116
  H       2.280953     -2.096389      4.323353
  H       3.431659     -1.979517      2.957529
  H      -4.090353     -1.464169      3.465373
  H      -2.442351     -1.260211      4.096725
  H      -2.066064      0.595741      2.438808
  H      -3.460811      0.912957      3.465352
  H      -3.937146      1.397751      1.026193
  H      -5.015289      0.169807      1.704510
  H      -2.548679     -0.346285     -0.044976
  H      -4.230676     -0.595891     -0.506010
  H      -3.144759     -2.744277      0.108008
  H      -4.502527     -2.389725      1.180643
  H      -8.942574     -4.688492      4.688453
  H      -8.428874     -6.085344      3.746341
  H      -7.037452     -4.012300      6.222870
  H      -5.566406     -6.189739      5.298293
  H      -7.147946     -7.462909      6.854971
  H      -8.000254     -7.880274      5.354341
  H      -9.927305     -6.422233      6.066177
  H      -9.002582     -5.959747      7.541827
  H      -6.723890     -2.792821      4.880208
  H      -8.390115     -2.609244      4.339177
  H      -6.940961     -0.724037      3.540705
  H      -5.901482     -1.903497      2.714589
  H      -7.460306     -0.903527      1.073768
  H      -8.846521     -1.336409      2.086032
  H      -6.925645     -3.298704      0.716905
  H      -8.621909     -3.010878      0.282473
  H      -8.455023     -5.077985      1.651770
  H      -9.327376     -3.844855      2.549181
  H      -4.255163     -5.170058      7.357883
  H      -3.566610     -6.758505      7.621717
  H      -2.076904     -5.809113      9.438927
  H      -2.793763     -4.217858      9.163475
  H      -4.323578     -6.746554     10.005159
  H      -5.078820     -5.194074      9.650917
  H      -3.745794     -4.131329     11.525220
  H      -4.845727     -5.431686     12.073877
  H      -1.255197     -7.326239      6.559610
  H      -0.749284     -6.232381      7.827130
  H      -0.194692     -5.662221      4.876668
  H       0.967686     -6.510240      5.899476
  H       1.517931     -4.568472      7.116285
  H       1.004518     -3.801714      5.614356
  H      -0.237726     -2.601612      7.261383
  H      -0.486609     -4.023682      8.266443
  H      -2.572824     -3.295527      7.102059
  H      -1.784749     -3.554155      5.527012
  N      -4.402312     -2.634488      5.460727
  H      -3.503283     -2.158256      5.549517
  H      -4.659525     -2.955476      6.396752
  H      -5.077937     -1.917465      5.182872
  N      -5.568640     -5.179644      5.482305
  N      -6.639129     -4.918578      6.444593
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.840708620102
  N      -2.779124     -3.617348      2.706109
  C      -2.102302     -4.578364      1.824222
  C      -2.305339     -6.003649      2.291603
  N      -3.700835     -6.173208      2.757753
  C      -4.637985     -6.167462      1.616921
  C      -6.018456     -5.742743      2.059567
  N      -5.973815     -4.536048      2.880854
  Mo     -4.142910     -4.471611      4.050799
  N      -2.902663     -5.666220      5.206468
  C      -3.009054     -7.095565      4.906796
  C      -3.842822     -7.336110      3.645207
  H      -3.471813     -7.673623      5.732955
  H      -2.013334     -7.558744      4.756347
  H      -4.914513     -7.445099      3.872829
  H      -3.522890     -8.270112      3.139995
  H      -6.602277     -5.595262      1.129998
  H      -6.520556     -6.588771      2.582139
  H      -4.255393     -5.438253      0.891194
  H      -4.656358     -7.158695      1.127209
  H      -1.007719     -4.423776      1.786808
  H      -2.441252     -4.480339      0.772396
  H      -1.647464     -6.213225      3.140502
  H      -2.081996     -6.722828      1.481693
  C      -2.602052     -2.242464      2.162090
  C      -1.124337     -1.952332      1.784784
  C      -0.080549     -2.205432      2.870649
  C       1.328814     -1.889811      2.366211
  C       2.450448     -2.360925      3.271629
  Cl      2.622611     -4.169340      3.233673
  C      -3.071690     -1.197991      3.186039
  C      -3.095943      0.244165      2.668468
  C      -3.971157      0.367842      1.418535
  C      -3.537888     -0.633469      0.345953
  C      -3.488500     -2.064210      0.894378
  C      -7.335218     -4.205509      3.340166
  C      -8.035838     -5.238231      4.322762
  C      -7.291304     -5.824607      5.492837
  C      -7.862799     -7.077700      6.084298
  C      -9.175756     -6.725118      6.774719
  Cl     -9.887322     -8.160786      7.656415
  C      -7.359592     -2.805377      3.992475
  C      -6.934815     -1.693901      3.036764
  C      -7.827415     -1.647077      1.796959
  C      -7.905519     -3.022847      1.130499
  C      -8.323965     -4.092043      2.138616
  C      -2.281340     -5.397333      6.543157
  C      -3.323308     -5.682529      7.649958
  C      -2.987861     -5.299023      9.090175
  C      -4.145727     -5.651073     10.026007
  C      -3.967424     -5.190342     11.458256
  Cl     -2.574660     -6.021198     12.279581
  C      -1.020406     -6.274256      6.769539
  C       0.152090     -5.780063      5.924993
  C       0.651678     -4.418539      6.453305
  C      -0.458374     -3.679412      7.217562
  C      -1.826081     -3.908584      6.570674
  H      -0.855096     -2.542225      0.893013
  H      -1.045461     -0.903824      1.459985
  H      -0.127859     -3.252976      3.205728
  H      -0.287441     -1.591407      3.763158
  H       1.479845     -2.328876      1.366056
  H       1.443839     -0.797947      2.241948
  H       2.275858     -2.099060      4.323642
  H       3.425237     -1.970349      2.957857
  H      -4.097884     -1.471667      3.461647
  H      -2.450542     -1.266711      4.093520
  H      -2.074468      0.593168      2.441758
  H      -3.473329      0.906831      3.464116
  H      -3.939234      1.396155      1.024591
  H      -5.020444      0.167291      1.695435
  H      -2.547598     -0.345298     -0.045546
  H      -4.228150     -0.593772     -0.512470
  H      -3.142068     -2.744373      0.101261
  H      -4.505091     -2.392288      1.167780
  H      -8.937137     -4.696655      4.681802
  H      -8.421210     -6.079165      3.723234
  H      -7.026736     -4.010763      6.180096
  H      -5.523840     -6.212560      5.317139
  H      -7.180157     -7.475174      6.854925
  H      -8.021452     -7.872865      5.341680
  H      -9.945839     -6.404387      6.065087
  H      -9.015764     -5.953925      7.539111
  H      -6.722627     -2.789263      4.885285
  H      -8.388393     -2.613927      4.344110
  H      -6.944227     -0.719981      3.554547
  H      -5.900405     -1.893726      2.726344
  H      -7.455538     -0.891607      1.085791
  H      -8.844359     -1.330442      2.092166
  H      -6.915914     -3.284721      0.721008
  H      -8.612628     -2.998583      0.285951
  H      -8.443998     -5.068972      1.648613
  H      -9.317314     -3.839868      2.550753
  H      -4.251637     -5.170378      7.357314
  H      -3.564613     -6.760443      7.628226
  H      -2.075949     -5.806353      9.441576
  H      -2.790392     -4.215179      9.161394
  H      -4.324040     -6.738778     10.011499
  H      -5.077349     -5.185216      9.650404
  H      -3.745718     -4.116978     11.519644
  H      -4.846135     -5.414310     12.074250
  H      -1.248167     -7.329529      6.573549
  H      -0.745894     -6.227400      7.835390
  H      -0.190810     -5.672284      4.882265
  H       0.972583     -6.512463      5.910735
  H       1.519358     -4.563502      7.116231
  H       1.003186     -3.804933      5.611054
  H      -0.241414     -2.599949      7.254199
  H      -0.485825     -4.018923      8.264955
  H      -2.575233     -3.300053      7.098914
  H      -1.786417     -3.561088      5.524181
  N      -4.391786     -2.648840      5.477950
  H      -3.490738     -2.175798      5.566997
  H      -4.645980     -2.973227      6.413950
  H      -5.065829     -1.926934      5.209342
  N      -5.555614     -5.209266      5.482948
  N      -6.634677     -4.925008      6.424646
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.843660067972
  N      -2.790843     -3.618302      2.697837
  C      -2.109104     -4.576475      1.817079
  C      -2.301194     -6.001363      2.290223
  N      -3.694865     -6.175737      2.759598
  C      -4.634339     -6.174355      1.619724
  C      -6.012782     -5.752303      2.066686
  N      -5.966873     -4.540552      2.880349
  Mo     -4.144194     -4.473183      4.051603
  N      -2.901713     -5.668770      5.213502
  C      -2.998744     -7.097289      4.909164
  C      -3.830045     -7.340825      3.646482
  H      -3.456727     -7.681491      5.734103
  H      -1.999074     -7.551413      4.757683
  H      -4.901296     -7.456848      3.873076
  H      -3.504447     -8.271548      3.139318
  H      -6.605660     -5.612279      1.142401
  H      -6.505497     -6.596344      2.601026
  H      -4.254447     -5.445625      0.892248
  H      -4.651594     -7.166988      1.133093
  H      -1.015627     -4.414970      1.776386
  H      -2.450877     -4.483290      0.765780
  H      -1.641286     -6.203277      3.139449
  H      -2.074263     -6.722699      1.483301
  C      -2.611663     -2.240873      2.161656
  C      -1.134490     -1.947160      1.785662
  C      -0.090317     -2.206953      2.869895
  C       1.318725     -1.883551      2.369504
  C       2.440369     -2.363923      3.269961
  Cl      2.612920     -4.172072      3.213361
  C      -3.080981     -1.203241      3.193386
  C      -3.107417      0.241904      2.685586
  C      -3.981440      0.374237      1.435699
  C      -3.547437     -0.619808      0.356366
  C      -3.498075     -2.054501      0.894318
  C      -7.327793     -4.207227      3.333977
  C      -8.030488     -5.243588      4.309843
  C      -7.301772     -5.838151      5.485223
  C      -7.884859     -7.076298      6.083448
  C      -9.195321     -6.715061      6.775880
  Cl     -9.917434     -8.145042      7.657118
  C      -7.350177     -2.805797      3.983945
  C      -6.923913     -1.696035      3.026219
  C      -7.815520     -1.647125      1.786049
  C      -7.896198     -3.023550      1.121741
  C      -8.316208     -4.089738      2.132110
  C      -2.280366     -5.397397      6.546750
  C      -3.321715     -5.675951      7.655977
  C      -2.981928     -5.292249      9.095609
  C      -4.140659     -5.635669     10.033419
  C      -3.958390     -5.171703     11.464182
  Cl     -2.568409     -6.006584     12.286634
  C      -1.023526     -6.279631      6.773093
  C       0.149487     -5.795564      5.922942
  C       0.658174     -4.434979      6.444846
  C      -0.444937     -3.688653      7.212329
  C      -1.816659     -3.910476      6.571844
  H      -0.864233     -2.530067      0.889804
  H      -1.056618     -0.896043      1.469202
  H      -0.134800     -3.257315      3.196158
  H      -0.299660     -1.600934      3.767212
  H       1.470221     -2.310636      1.364286
  H       1.432684     -0.790105      2.258946
  H       2.265762     -2.113689      4.324769
  H       3.415054     -1.969482      2.960692
  H      -4.105450     -1.481834      3.470632
  H      -2.457275     -1.278546      4.098515
  H      -2.086348      0.593840      2.461715
  H      -3.486319      0.898770      3.485405
  H      -3.948110      1.405239      1.048992
  H      -5.031270      0.172824      1.709145
  H      -2.557177     -0.328655     -0.032982
  H      -4.237763     -0.573650     -0.501717
  H      -3.150186     -2.729520      0.097531
  H      -4.514944     -2.384641      1.164475
  H      -8.935155     -4.704403      4.666252
  H      -8.416900     -6.077947      3.700731
  H      -7.015862     -4.004822      6.130557
  H      -5.483695     -6.243002      5.334512
  H      -7.209706     -7.482670      6.855883
  H      -8.043886     -7.865538      5.333925
  H      -9.965872     -6.385923      6.070582
  H      -9.026915     -5.944934      7.539647
  H      -6.711138     -2.785494      4.874964
  H      -8.378090     -2.612555      4.337073
  H      -6.930049     -0.721651      3.543187
  H      -5.890252     -1.899683      2.715654
  H      -7.440220     -0.893695      1.074527
  H      -8.831727     -1.327019      2.079719
  H      -6.907683     -3.288865      0.711796
  H      -8.604329     -2.998938      0.278115
  H      -8.441424     -5.066064      1.642287
  H      -9.307738     -3.833498      2.545812
  H      -4.246626     -5.158412      7.363454
  H      -3.568357     -6.752863      7.637301
  H      -2.072293     -5.804533      9.445753
  H      -2.777587     -4.209567      9.165605
  H      -4.324724     -6.722402     10.022319
  H      -5.069754     -5.164251      9.658243
  H      -3.731527     -4.099217     11.521898
  H      -4.837090     -5.389589     12.082332
  H      -1.257465     -7.334650      6.581962
  H      -0.745443     -6.229660      7.837832
  H      -0.195626     -5.690172      4.880760
  H       0.965490     -6.532980      5.909707
  H       1.528348     -4.582161      7.103897
  H       1.008518     -3.825449      5.599042
  H      -0.222282     -2.610262      7.246203
  H      -0.469024     -4.026635      8.260333
  H      -2.560055     -3.298231      7.103569
  H      -1.779459     -3.563523      5.525217
  N      -4.402024     -2.653953      5.481240
  H      -3.502627     -2.177837      5.571228
  H      -4.656296     -2.977365      6.417838
  H      -5.077949     -1.932540      5.215262
  N      -5.543091     -5.234927      5.477231
  N      -6.630660     -4.926664      6.400317
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.846174906342
  N      -2.799798     -3.619051      2.687606
  C      -2.115902     -4.574821      1.806185
  C      -2.300613     -5.999092      2.284453
  N      -3.691903     -6.176198      2.758846
  C      -4.635676     -6.176080      1.622463
  C      -6.010950     -5.755423      2.077666
  N      -5.962124     -4.539129      2.884039
  Mo     -4.142815     -4.473450      4.052822
  N      -2.898114     -5.674190      5.213727
  C      -2.987744     -7.100838      4.904149
  C      -3.821336     -7.343896      3.643502
  H      -3.439864     -7.691203      5.728621
  H      -1.985822     -7.548020      4.748173
  H      -4.891478     -7.463748      3.872226
  H      -3.493087     -8.271525      3.132941
  H      -6.614228     -5.622367      1.159634
  H      -6.494280     -6.596975      2.624392
  H      -4.259141     -5.447862      0.892964
  H      -4.654473     -7.169741      1.137989
  H      -1.023753     -4.407959      1.760587
  H      -2.462068     -4.485037      0.755958
  H      -1.637954     -6.195228      3.133181
  H      -2.072997     -6.722931      1.480009
  C      -2.616650     -2.239947      2.155068
  C      -1.138188     -1.945476      1.784894
  C      -0.100260     -2.208272      2.874825
  C       1.312629     -1.883239      2.386764
  C       2.425342     -2.370492      3.294675
  Cl      2.591326     -4.179250      3.234257
  C      -3.087567     -1.204322      3.188234
  C      -3.114769      0.241498      2.683254
  C      -3.984690      0.375944      1.430601
  C      -3.546632     -0.615572      0.350466
  C      -3.498130     -2.051525      0.884803
  C      -7.323490     -4.203949      3.332933
  C      -8.026532     -5.244084      4.301967
  C      -7.312359     -5.842955      5.484323
  C      -7.910149     -7.068970      6.090613
  C      -9.217897     -6.696142      6.784625
  Cl     -9.955120     -8.116799      7.668738
  C      -7.352984     -2.800128      3.978895
  C      -6.930536     -1.690210      3.019081
  C      -7.817977     -1.645982      1.776019
  C      -7.891362     -3.024501      1.115337
  C      -8.309798     -4.088631      2.127925
  C      -2.277740     -5.400547      6.544850
  C      -3.316483     -5.681225      7.656947
  C      -2.971949     -5.297746      9.095772
  C      -4.126668     -5.642062     10.038146
  C      -3.939197     -5.177228     11.468007
  Cl     -2.544354     -6.009601     12.284794
  C      -1.018343     -6.278492      6.773832
  C       0.154214     -5.793078      5.923378
  C       0.658146     -4.429305      6.442161
  C      -0.447273     -3.685290      7.208378
  C      -1.818753     -3.911747      6.569285
  H      -0.864018     -2.526017      0.888800
  H      -1.058449     -0.893426      1.472142
  H      -0.146285     -3.259880      3.196830
  H      -0.316839     -1.605664      3.772583
  H       1.471381     -2.304814      1.380410
  H       1.429209     -0.789368      2.283765
  H       2.242903     -2.123493      4.348881
  H       3.403954     -1.978244      2.995132
  H      -4.111083     -1.485763      3.465243
  H      -2.464061     -1.281739      4.093372
  H      -2.093524      0.595321      2.463374
  H      -3.497263      0.896320      3.483087
  H      -3.950005      1.407734      1.046214
  H      -5.035528      0.173962      1.699545
  H      -2.555465     -0.322700     -0.035253
  H      -4.234545     -0.567655     -0.509486
  H      -3.145644     -2.724485      0.088250
  H      -4.515493     -2.383781      1.149602
  H      -8.935931     -4.706023      4.650156
  H      -8.411197     -6.076151      3.688010
  H      -7.000477     -3.999412      6.090443
  H      -5.444569     -6.269007      5.358805
  H      -7.240205     -7.484385      6.862693
  H      -8.075489     -7.854741      5.338093
  H      -9.986710     -6.358963      6.081282
  H      -9.040355     -5.926744      7.546961
  H      -6.714176     -2.772200      4.869498
  H      -8.381880     -2.610794      4.331107
  H      -6.940955     -0.715258      3.534734
  H      -5.895553     -1.890627      2.710978
  H      -7.442072     -0.893118      1.064286
  H      -8.836212     -1.328337      2.065066
  H      -6.901162     -3.287556      0.707873
  H      -8.598250     -3.005352      0.270581
  H      -8.434611     -5.065601      1.639342
  H      -9.301650     -3.832593      2.540729
  H      -4.242378     -5.164697      7.366410
  H      -3.561174     -6.758653      7.638665
  H      -2.060516     -5.809492      9.441779
  H      -2.767790     -4.215025      9.165988
  H      -4.309809     -6.728951     10.028247
  H      -5.057143     -5.170802      9.666860
  H      -3.713820     -4.104346     11.524143
  H      -4.814761     -5.396297     12.090125
  H      -1.248795     -7.334913      6.586751
  H      -0.741170     -6.223893      7.838510
  H      -0.189352     -5.691526      4.880410
  H       0.972096     -6.528460      5.913860
  H       1.528972     -4.571726      7.101324
  H       1.006413     -3.820088      5.595068
  H      -0.227985     -2.606130      7.240723
  H      -0.469870     -4.021816      8.256885
  H      -2.563764     -3.302099      7.102125
  H      -1.784095     -3.564269      5.522870
  N      -4.392982     -2.663307      5.492317
  H      -3.491637     -2.190355      5.581862
  H      -4.645774     -2.989044      6.428771
  H      -5.067041     -1.937041      5.234396
  N      -5.527486     -5.255701      5.475884
  N      -6.626199     -4.924043      6.382141
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.848492793447
  N      -2.807926     -3.618667      2.681314
  C      -2.120586     -4.571777      1.800272
  C      -2.297254     -5.995021      2.285290
  N      -3.686695     -6.176146      2.762801
  C      -4.632161     -6.180914      1.627972
  C      -6.005532     -5.763843      2.089446
  N      -5.956661     -4.541742      2.887332
  Mo     -4.143667     -4.471938      4.055316
  N      -2.897639     -5.676630      5.219593
  C      -2.979029     -7.101609      4.906364
  C      -3.811809     -7.345573      3.646251
  H      -3.426085     -7.697705      5.729870
  H      -1.974429     -7.542070      4.747889
  H      -4.881234     -7.468792      3.874901
  H      -3.479418     -8.270570      3.134102
  H      -6.617569     -5.640319      1.176619
  H      -6.478303     -6.602632      2.649256
  H      -4.259462     -5.453640      0.895724
  H      -4.649993     -7.176245      1.146935
  H      -1.029967     -4.398512      1.750795
  H      -2.470354     -4.486465      0.750673
  H      -1.632511     -6.182845      3.134419
  H      -2.067275     -6.722449      1.484779
  C      -2.622446     -2.236881      2.153609
  C      -1.144094     -1.938657      1.784056
  C      -0.103823     -2.200197      2.872054
  C       1.307182     -1.866933      2.383467
  C       2.423187     -2.356009      3.286471
  Cl      2.593731     -4.163904      3.216229
  C      -3.094999     -1.204483      3.189188
  C      -3.125972      0.242224      2.687441
  C      -3.993950      0.377560      1.433401
  C      -3.552660     -0.610880      0.351746
  C      -3.501862     -2.047779      0.882921
  C      -7.320440     -4.203207      3.328222
  C      -8.028500     -5.244847      4.290214
  C      -7.329944     -5.844165      5.481637
  C      -7.943467     -7.059821      6.098963
  C      -9.247840     -6.675405      6.794082
  Cl     -9.998533     -8.086876      7.681853
  C      -7.352736     -2.796209      3.968768
  C      -6.925659     -1.689683      3.006712
  C      -7.805199     -1.647569      1.758171
  C      -7.876027     -3.028550      1.102400
  C      -8.300842     -4.087788      2.116942
  C      -2.276210     -5.404210      6.549608
  C      -3.314119     -5.684563      7.664139
  C      -2.964184     -5.304679      9.102639
  C      -4.116498     -5.647272     10.048548
  C      -3.923224     -5.183497     11.478060
  Cl     -2.526430     -6.018222     12.288911
  C      -1.018776     -6.286016      6.776925
  C       0.154087     -5.805756      5.924196
  C       0.662803     -4.442953      6.440913
  C      -0.437761     -3.696579      7.211324
  C      -1.812377     -3.916891      6.576855
  H      -0.869426     -2.516169      0.886165
  H      -1.067188     -0.885633      1.473856
  H      -0.144555     -3.253006      3.190503
  H      -0.322663     -1.601550      3.771770
  H       1.465401     -2.281254      1.374083
  H       1.419878     -0.772039      2.287566
  H       2.242302     -2.114944      4.342340
  H       3.400173     -1.959595      2.987060
  H      -4.116855     -1.490368      3.467584
  H      -2.470365     -1.283087      4.093412
  H      -2.105358      0.599440      2.470091
  H      -3.511649      0.894382      3.487931
  H      -3.960064      1.410157      1.051148
  H      -5.045077      0.173681      1.699924
  H      -2.561780     -0.315036     -0.032504
  H      -4.239964     -0.562493     -0.508673
  H      -3.145653     -2.718309      0.085818
  H      -4.518804     -2.383526      1.144917
  H      -8.943611     -4.707607      4.626644
  H      -8.409586     -6.076856      3.673418
  H      -6.990532     -3.995888      6.050420
  H      -5.412097     -6.291352      5.387275
  H      -7.276501     -7.482373      6.869608
  H      -8.116674     -7.843622      5.345672
  H     -10.014255     -6.331257      6.091389
  H      -9.061749     -5.906511      7.554812
  H      -6.715988     -2.762052      4.861086
  H      -8.382686     -2.606087      4.316963
  H      -6.936958     -0.713612      3.519963
  H      -5.889110     -1.892093      2.704367
  H      -7.423054     -0.897714      1.046639
  H      -8.824880     -1.327459      2.039175
  H      -6.884026     -3.293869      0.700617
  H      -8.578934     -3.012999      0.254257
  H      -8.428434     -5.065305      1.630553
  H      -9.293125     -3.827170      2.525745
  H      -4.239418     -5.165221      7.376329
  H      -3.561273     -6.761354      7.643970
  H      -2.053117     -5.819632      9.444577
  H      -2.756731     -4.222683      9.174449
  H      -4.301998     -6.733751     10.038707
  H      -5.046820     -5.173593      9.680709
  H      -3.696317     -4.110911     11.533808
  H      -4.796752     -5.401901     12.103243
  H      -1.253183     -7.342003      6.592091
  H      -0.739417     -6.230598      7.840869
  H      -0.189897     -5.704074      4.881471
  H       0.969232     -6.544144      5.914832
  H       1.535938     -4.586865      7.096694
  H       1.008864     -3.834550      5.592697
  H      -0.214592     -2.618175      7.244214
  H      -0.458260     -4.034183      8.259507
  H      -2.553041     -3.306451      7.114609
  H      -1.780168     -3.566352      5.531393
  N      -4.401548     -2.667776      5.497588
  H      -3.502365     -2.191546      5.590614
  H      -4.656318     -2.995801      6.432847
  H      -5.077146     -1.942340      5.240605
  N      -5.517788     -5.273459      5.476498
  N      -6.629481     -4.919980      6.362727
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.850745862199
  N      -2.815898     -3.618151      2.670572
  C      -2.125280     -4.567437      1.789196
  C      -2.293562     -5.989430      2.280329
  N      -3.680635     -6.175618      2.762263
  C      -4.630245     -6.186295      1.631005
  C      -6.001610     -5.773281      2.102009
  N      -5.952741     -4.544278      2.891104
  Mo     -4.143397     -4.470276      4.053325
  N      -2.892286     -5.676251      5.217601
  C      -2.962992     -7.100250      4.901696
  C      -3.798159     -7.346746      3.644307
  H      -3.401800     -7.702977      5.724982
  H      -1.955446     -7.532506      4.738173
  H      -4.866024     -7.474181      3.875938
  H      -3.461929     -8.268751      3.129739
  H      -6.623414     -5.660410      1.195196
  H      -6.462138     -6.608919      2.676053
  H      -4.264245     -5.459847      0.894717
  H      -4.647373     -7.183218      1.153333
  H      -1.036100     -4.387409      1.736071
  H      -2.478819     -4.486160      0.740441
  H      -1.625860     -6.168296      3.129227
  H      -2.061599     -6.720367      1.483586
  C      -2.627075     -2.233481      2.151577
  C      -1.147302     -1.938696      1.786090
  C      -0.111519     -2.216117      2.874712
  C       1.303441     -1.887164      2.395155
  C       2.411072     -2.394713      3.298390
  Cl      2.563427     -4.203538      3.214967
  C      -3.096642     -1.208175      3.195251
  C      -3.128342      0.242011      2.704053
  C      -3.996387      0.386152      1.450819
  C      -3.556249     -0.594259      0.361455
  C      -3.505521     -2.034771      0.882346
  C      -7.321067     -4.204703      3.323589
  C      -8.033421     -5.249063      4.277662
  C      -7.347936     -5.844683      5.477784
  C      -7.976049     -7.051634      6.109348
  C      -9.275335     -6.654851      6.806062
  Cl    -10.036465     -8.057197      7.699487
  C      -7.361082     -2.794918      3.959326
  C      -6.930879     -1.689809      2.996655
  C      -7.800798     -1.651948      1.741472
  C      -7.864301     -3.035141      1.089752
  C      -8.294469     -4.091213      2.105020
  C      -2.271848     -5.400359      6.546414
  C      -3.306503     -5.687103      7.663673
  C      -2.953637     -5.306232      9.100969
  C      -4.099790     -5.655857     10.051831
  C      -3.902855     -5.190440     11.480414
  Cl     -2.496581     -6.015505     12.284326
  C      -1.008678     -6.274334      6.774557
  C       0.160790     -5.786972      5.921078
  C       0.660396     -4.419373      6.434840
  C      -0.443899     -3.679068      7.205615
  C      -1.817772     -3.909939      6.573292
  H      -0.874921     -2.510239      0.883568
  H      -1.064492     -0.883386      1.485321
  H      -0.159104     -3.272199      3.182285
  H      -0.331044     -1.625530      3.779570
  H       1.462646     -2.291555      1.381932
  H       1.424760     -0.792147      2.312079
  H       2.227797     -2.160109      4.355300
  H       3.393206     -2.005626      3.006293
  H      -4.117507     -1.496422      3.475251
  H      -2.469893     -1.294026      4.097497
  H      -2.107771      0.601112      2.489508
  H      -3.514205      0.888495      3.509006
  H      -3.962152      1.421460      1.075962
  H      -5.047705      0.180816      1.716311
  H      -2.565796     -0.295763     -0.021814
  H      -4.244489     -0.539549     -0.497838
  H      -3.148743     -2.699478      0.080575
  H      -4.522621     -2.372523      1.141233
  H      -8.955309     -4.714905      4.602300
  H      -8.408569     -6.082671      3.659041
  H      -6.978919     -3.999331      6.013771
  H      -5.381398     -6.312229      5.416288
  H      -7.308748     -7.478935      6.876857
  H      -8.159892     -7.835171      5.358056
  H     -10.039380     -6.305910      6.102936
  H      -9.081424     -5.885339      7.564215
  H      -6.729057     -2.752684      4.855015
  H      -8.393360     -2.607643      4.301574
  H      -6.947157     -0.713024      3.508247
  H      -5.891629     -1.889878      2.701460
  H      -7.413451     -0.903463      1.031348
  H      -8.823285     -1.332640      2.013013
  H      -6.869104     -3.299396      0.695056
  H      -8.561820     -3.024860      0.237063
  H      -8.422216     -5.069409      1.620549
  H      -9.288333     -3.828458      2.508652
  H      -4.235840     -5.172777      7.378423
  H      -3.547182     -6.765272      7.642622
  H      -2.038486     -5.816332      9.439109
  H      -2.751866     -4.223174      9.172738
  H      -4.278810     -6.743423     10.043091
  H      -5.034327     -5.187875      9.687885
  H      -3.683147     -4.116278     11.534746
  H      -4.772018     -5.414834     12.109554
  H      -1.235927     -7.332320      6.592406
  H      -0.729578     -6.215005      7.838236
  H      -0.183117     -5.689190      4.877932
  H       0.980735     -6.520063      5.913695
  H       1.535635     -4.555517      7.089507
  H       1.000972     -3.809495      5.584979
  H      -0.227689     -2.599151      7.236352
  H      -0.461157     -4.014416      8.254540
  H      -2.562136     -3.304589      7.112004
  H      -1.788904     -3.559094      5.527710
  N      -4.402557     -2.673075      5.499992
  H      -3.505185     -2.193630      5.596257
  H      -4.657408     -3.006088      6.433497
  H      -5.079961     -1.948609      5.244830
  N      -5.507785     -5.290702      5.476719
  N      -6.632938     -4.919647      6.342074
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.853005276097
  N      -2.818323     -3.621805      2.667739
  C      -2.127710     -4.569999      1.785955
  C      -2.290410     -5.990538      2.282397
  N      -3.675957     -6.179161      2.766823
  C      -4.628190     -6.193183      1.637809
  C      -5.997499     -5.781797      2.116575
  N      -5.947777     -4.546174      2.897624
  Mo     -4.142979     -4.472360      4.055855
  N      -2.890027     -5.682058      5.222170
  C      -2.953694     -7.105207      4.903346
  C      -3.789824     -7.351999      3.647212
  H      -3.386858     -7.713551      5.725430
  H      -1.944163     -7.531980      4.736074
  H      -4.856602     -7.480946      3.880968
  H      -3.451365     -8.271677      3.130341
  H      -6.626519     -5.677867      1.214385
  H      -6.448629     -6.613334      2.703244
  H      -4.266839     -5.467599      0.898357
  H      -4.645972     -7.191122      1.162449
  H      -1.039693     -4.386709      1.728413
  H      -2.485637     -4.492053      0.738209
  H      -1.620498     -6.161894      3.131139
  H      -2.057704     -6.725107      1.489248
  C      -2.629537     -2.234423      2.151656
  C      -1.150915     -1.931794      1.785968
  C      -0.108710     -2.200722      2.869746
  C       1.300274     -1.856373      2.382390
  C       2.420328     -2.355190      3.275173
  Cl      2.590963     -4.161690      3.185737
  C      -3.103518     -1.211790      3.195285
  C      -3.139631      0.238698      2.704694
  C      -4.004948      0.380885      1.449378
  C      -3.559969     -0.597539      0.360486
  C      -3.505272     -2.038078      0.881041
  C      -7.322165     -4.203308      3.318740
  C      -8.045178     -5.248623      4.262456
  C      -7.374285     -5.839737      5.472046
  C      -8.020049     -7.036324      6.118223
  C      -9.311238     -6.621041      6.816833
  Cl    -10.086837     -8.011728      7.716412
  C      -7.367867     -2.792385      3.952705
  C      -6.927170     -1.688598      2.993608
  C      -7.782369     -1.649809      1.728500
  C      -7.840691     -3.033530      1.077736
  C      -8.283658     -4.087068      2.089833
  C      -2.269153     -5.408544      6.552509
  C      -3.304029     -5.697305      7.669767
  C      -2.947073     -5.318387      9.106443
  C      -4.089139     -5.667766     10.062204
  C      -3.885975     -5.201232     11.489645
  Cl     -2.475284     -6.024351     12.287284
  C      -1.006323     -6.283906      6.779626
  C       0.163143     -5.798565      5.925934
  C       0.663513     -4.431072      6.439167
  C      -0.438505     -3.690818      7.213126
  C      -1.814464     -3.918636      6.583426
  H      -0.877549     -2.501075      0.882273
  H      -1.076094     -0.875850      1.484755
  H      -0.144923     -3.257549      3.175518
  H      -0.329804     -1.613672      3.776478
  H       1.456285     -2.255151      1.366433
  H       1.409899     -0.759895      2.302603
  H       2.243265     -2.124262      4.334005
  H       3.396000     -1.955598      2.975709
  H      -4.123204     -1.504086      3.475497
  H      -2.476835     -1.295961      4.097809
  H      -2.119604      0.601320      2.493130
  H      -3.529691      0.883593      3.508841
  H      -3.972680      1.416466      1.075035
  H      -5.056169      0.172853      1.712594
  H      -2.569790     -0.295777     -0.021072
  H      -4.246874     -0.544778     -0.499963
  H      -3.143188     -2.700516      0.079709
  H      -4.521697     -2.380582      1.136501
  H      -8.972623     -4.715125      4.573978
  H      -8.414860     -6.083058      3.641519
  H      -6.967653     -4.006270      5.984489
  H      -5.362390     -6.333630      5.449384
  H      -7.351286     -7.468650      6.881302
  H      -8.219791     -7.820078      5.371197
  H     -10.071146     -6.265343      6.112390
  H      -9.107960     -5.851534      7.572327
  H      -6.744933     -2.745194      4.854841
  H      -8.403284     -2.605732      4.285224
  H      -6.947569     -0.711959      3.505292
  H      -5.884944     -1.888973      2.709906
  H      -7.384662     -0.902483      1.022887
  H      -8.807513     -1.328472      1.987326
  H      -6.841648     -3.299073      0.693665
  H      -8.529176     -3.024443      0.217676
  H      -8.412841     -5.064867      1.605326
  H      -9.279788     -3.819759      2.484906
  H      -4.234043     -5.182206      7.386607
  H      -3.545276     -6.775234      7.645778
  H      -2.031318     -5.829459      9.441420
  H      -2.744563     -4.235475      9.178175
  H      -4.268069     -6.755350     10.054999
  H      -5.025140     -5.200596      9.701815
  H      -3.667266     -4.126772     11.542199
  H      -4.752257     -5.426224     12.122554
  H      -1.235076     -7.341738      6.598435
  H      -0.726221     -6.224077      7.842950
  H      -0.180093     -5.700936      4.882601
  H       0.982402     -6.532401      5.919087
  H       1.540789     -4.566943      7.091218
  H       1.001139     -3.820919      5.589116
  H      -0.220460     -2.611282      7.244858
  H      -0.454690     -4.027295      8.261714
  H      -2.556857     -3.314378      7.126020
  H      -1.787554     -3.564329      5.538877
  N      -4.409403     -2.683015      5.506792
  H      -3.515967     -2.198039      5.611314
  H      -4.667662     -3.024412      6.436215
  H      -5.089408     -1.961731      5.249901
  N      -5.503528     -5.308507      5.480915
  N      -6.642738     -4.921970      6.322630
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.856102047378
  N      -2.828690     -3.618354      2.660090
  C      -2.136877     -4.559831      1.772422
  C      -2.292403     -5.979994      2.264304
  N      -3.674914     -6.170976      2.754527
  C      -4.639144     -6.181266      1.634150
  C      -6.004097     -5.775562      2.132842
  N      -5.948393     -4.542920      2.915905
  Mo     -4.145996     -4.470305      4.050705
  N      -2.887251     -5.685612      5.216633
  C      -2.943430     -7.106736      4.888398
  C      -3.779981     -7.349999      3.630877
  H      -3.370898     -7.723247      5.706957
  H      -1.931380     -7.524989      4.716581
  H      -4.845274     -7.483944      3.868100
  H      -3.439299     -8.264263      3.106482
  H      -6.647984     -5.671115      1.244298
  H      -6.440809     -6.605832      2.728357
  H      -4.286968     -5.451584      0.894820
  H      -4.660478     -7.176623      1.155535
  H      -1.049952     -4.373076      1.711235
  H      -2.498590     -4.478657      0.726790
  H      -1.620392     -6.149351      3.111375
  H      -2.058955     -6.713587      1.470348
  C      -2.635764     -2.230562      2.150895
  C      -1.155804     -1.935580      1.786538
  C      -0.115296     -2.219070      2.869151
  C       1.297403     -1.886518      2.386795
  C       2.413021     -2.398709      3.277417
  Cl      2.564510     -4.203905      3.187314
  C      -3.105896     -1.212603      3.200534
  C      -3.140780      0.239261      2.716283
  C      -4.006331      0.388909      1.462307
  C      -3.562118     -0.583584      0.367378
  C      -3.510220     -2.026673      0.880196
  C      -7.322866     -4.198481      3.338338
  C      -8.045458     -5.260182      4.262584
  C      -7.378273     -5.886423      5.464500
  C      -8.021369     -7.095447      6.074496
  C      -9.298659     -6.699170      6.787611
  Cl    -10.075922     -8.115217      7.626914
  C      -7.364808     -2.791931      3.979959
  C      -6.920445     -1.682229      3.027839
  C      -7.772248     -1.631260      1.762787
  C      -7.833364     -3.010246      1.104792
  C      -8.281692     -4.067432      2.110080
  C      -2.271163     -5.404828      6.546616
  C      -3.310342     -5.666599      7.661566
  C      -2.950931     -5.269341      9.092842
  C      -4.095733     -5.582999     10.047360
  C      -3.890238     -5.094017     11.466886
  Cl     -2.498365     -5.917788     12.291001
  C      -1.021169     -6.286426      6.794013
  C       0.158596     -5.824235      5.947369
  C       0.666998     -4.456963      6.450396
  C      -0.431667     -3.698600      7.205990
  C      -1.803763     -3.920888      6.567490
  H      -0.886263     -2.502463      0.881192
  H      -1.074395     -0.879160      1.491242
  H      -0.160411     -3.276605      3.167976
  H      -0.332851     -1.635826      3.777918
  H       1.449848     -2.282039      1.371264
  H       1.417112     -0.792803      2.313583
  H       2.239181     -2.166369      4.334481
  H       3.392887     -2.010843      2.979384
  H      -4.125212     -1.506065      3.482706
  H      -2.477009     -1.304159      4.100799
  H      -2.120498      0.601403      2.505671
  H      -3.530428      0.881087      3.522936
  H      -3.972800      1.426454      1.093797
  H      -5.057778      0.179908      1.724527
  H      -2.571349     -0.281178     -0.012973
  H      -4.249411     -0.524677     -0.492140
  H      -3.147061     -2.686453      0.076768
  H      -4.528119     -2.368160      1.132638
  H      -8.978753     -4.739030      4.580092
  H      -8.414883     -6.080336      3.613383
  H      -6.935898     -4.097089      5.983147
  H      -5.310700     -6.378564      5.477733
  H      -7.341273     -7.562698      6.812338
  H      -8.238803     -7.839738      5.288621
  H     -10.068039     -6.308697      6.100805
  H      -9.080565     -5.961286      7.570650
  H      -6.742811     -2.746990      4.880523
  H      -8.399793     -2.606280      4.313409
  H      -6.937971     -0.709758      3.546235
  H      -5.879204     -1.881195      2.742173
  H      -7.369057     -0.880735      1.063890
  H      -8.796615     -1.309022      2.020391
  H      -6.834672     -3.276280      0.720614
  H      -8.520590     -2.994845      0.244894
  H      -8.418104     -5.039897      1.617996
  H      -9.275463     -3.797586      2.507656
  H      -4.230398     -5.145498      7.366087
  H      -3.563294     -6.739724      7.652305
  H      -2.045575     -5.785284      9.440710
  H      -2.733004     -4.192139      9.148021
  H      -4.290546     -6.663766     10.058244
  H      -5.019443     -5.108078      9.674569
  H      -3.657918     -4.026122     11.501835
  H      -4.758277     -5.293616     12.096497
  H      -1.258575     -7.343141      6.624654
  H      -0.748863     -6.214100      7.858458
  H      -0.173102     -5.737815      4.899862
  H       0.968685     -6.564407      5.958898
  H       1.536734     -4.591259      7.111249
  H       1.016119     -3.861601      5.597501
  H      -0.203320     -2.622843      7.228313
  H      -0.458286     -4.021571      8.257326
  H      -2.543394     -3.306321      7.099403
  H      -1.767443     -3.578069      5.520961
  N      -4.417004     -2.689167      5.507981
  H      -3.528348     -2.195008      5.616628
  H      -4.674577     -3.035876      6.436303
  H      -5.103466     -1.972396      5.254244
  N      -5.464993     -5.363041      5.490969
  N      -6.620236     -5.010945      6.309921
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.858195440685
  N      -2.830662     -3.621885      2.650145
  C      -2.140806     -4.567888      1.767641
  C      -2.299884     -5.982476      2.265060
  N      -3.681436     -6.168848      2.755003
  C      -4.652112     -6.188957      1.639317
  C      -6.013325     -5.782872      2.146497
  N      -5.957366     -4.537523      2.917087
  Mo     -4.158305     -4.458955      4.037442
  N      -2.895298     -5.668551      5.215316
  C      -2.944264     -7.090557      4.892199
  C      -3.781796     -7.344021      3.637527
  H      -3.366400     -7.707081      5.713390
  H      -1.930231     -7.502149      4.721386
  H      -4.845227     -7.479059      3.878603
  H      -3.439708     -8.258247      3.116232
  H      -6.667336     -5.692256      1.262321
  H      -6.437435     -6.607995      2.759547
  H      -4.306349     -5.463925      0.891449
  H      -4.675501     -7.189209      1.168893
  H      -1.054801     -4.383545      1.706493
  H      -2.502086     -4.491476      0.722009
  H      -1.630209     -6.145513      3.114699
  H      -2.066105     -6.722735      1.477810
  C      -2.628258     -2.237623      2.135770
  C      -1.146109     -1.945567      1.776375
  C      -0.108054     -2.222495      2.861782
  C       1.305719     -1.886176      2.384831
  C       2.423002     -2.390732      3.279068
  Cl      2.580553     -4.194523      3.202239
  C      -3.098642     -1.215665      3.180105
  C      -3.128986      0.233349      2.691303
  C      -3.989723      0.379504      1.435126
  C      -3.542320     -0.596427      0.344478
  C      -3.496254     -2.037277      0.860967
  C      -7.334001     -4.189616      3.336481
  C      -8.058342     -5.249404      4.263485
  C      -7.397945     -5.877387      5.466934
  C      -8.044410     -7.082284      6.081676
  C      -9.314974     -6.668761      6.813890
  Cl    -10.123925     -8.074946      7.669664
  C      -7.378545     -2.780798      3.972892
  C      -6.927366     -1.673587      3.018264
  C      -7.769806     -1.625079      1.744542
  C      -7.828443     -3.007428      1.092056
  C      -8.286113     -4.058710      2.100958
  C      -2.281067     -5.386702      6.549006
  C      -3.316440     -5.683118      7.672849
  C      -2.949042     -5.298836      9.108188
  C      -4.080220     -5.667884     10.086256
  C      -3.866526     -5.193240     11.509484
  Cl     -2.412712     -5.994253     12.287461
  C      -1.015993     -6.264537      6.781849
  C       0.170408     -5.780165      5.938554
  C       0.664837     -4.406135      6.461147
  C      -0.451904     -3.662594      7.227240
  C      -1.828611     -3.888378      6.587358
  H      -0.872378     -2.515197      0.873833
  H      -1.064632     -0.890959      1.479264
  H      -0.150938     -3.278444      3.159955
  H      -0.333358     -1.637505      3.768589
  H       1.464315     -2.284250      1.369649
  H       1.420845     -0.793306      2.311728
  H       2.247144     -2.148293      4.334937
  H       3.402275     -2.004056      2.979625
  H      -4.119790     -1.506568      3.460382
  H      -2.472211     -1.305880      4.081532
  H      -2.107097      0.593044      2.483710
  H      -3.521236      0.878494      3.493641
  H      -3.953360      1.415554      1.064321
  H      -5.042913      0.171238      1.694135
  H      -2.548653     -0.296866     -0.032582
  H      -4.226137     -0.538984     -0.517200
  H      -3.129445     -2.700781      0.062204
  H      -4.517102     -2.375850      1.108900
  H      -8.995511     -4.730526      4.578046
  H      -8.422644     -6.068288      3.613180
  H      -6.908639     -4.118698      5.971317
  H      -5.273641     -6.387205      5.519925
  H      -7.358206     -7.562261      6.799607
  H      -8.283421     -7.814125      5.289219
  H     -10.077927     -6.269955      6.133881
  H      -9.092653     -5.928365      7.590380
  H      -6.763970     -2.730969      4.879855
  H      -8.415823     -2.594032      4.299132
  H      -6.948566     -0.698861      3.534368
  H      -5.882896     -1.872380      2.739186
  H      -7.358952     -0.878370      1.045146
  H      -8.796072     -1.298537      1.992723
  H      -6.827409     -3.278224      0.715512
  H      -8.509750     -2.994499      0.226179
  H      -8.424656     -5.032438      1.610635
  H      -9.281080     -3.782648      2.492978
  H      -4.255019     -5.172356      7.395340
  H      -3.549547     -6.767382      7.651076
  H      -2.015242     -5.802923      9.430795
  H      -2.758514     -4.205370      9.176243
  H      -4.242496     -6.767446     10.083926
  H      -5.035248     -5.208615      9.743455
  H      -3.670713     -4.100382     11.557873
  H      -4.730653     -5.441985     12.156081
  H      -1.245396     -7.328057      6.600574
  H      -0.746857     -6.201225      7.847994
  H      -0.156758     -5.682875      4.890277
  H       0.992407     -6.519227      5.942340
  H       1.536820     -4.541648      7.121084
  H       1.013737     -3.793858      5.615803
  H      -0.231484     -2.577490      7.264821
  H      -0.480791     -4.002116      8.275637
  H      -2.577877     -3.285007      7.132365
  H      -1.796588     -3.528508      5.544752
  N      -4.432026     -2.670256      5.479077
  H      -3.546599     -2.169295      5.588925
  H      -4.691911     -3.012190      6.407261
  H      -5.120800     -1.960445      5.217794
  N      -5.434870     -5.375813      5.497743
  N      -6.608815     -5.030665      6.297749
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.860246938101
  N      -2.822354     -3.627631      2.646834
  C      -2.128713     -4.571735      1.765190
  C      -2.295240     -5.986971      2.257851
  N      -3.679107     -6.176902      2.740074
  C      -4.649414     -6.203994      1.625772
  C      -6.011836     -5.807578      2.135450
  N      -5.968366     -4.554120      2.900655
  Mo     -4.170907     -4.462912      4.011574
  N      -2.898613     -5.665020      5.191233
  C      -2.943105     -7.088494      4.874863
  C      -3.777794     -7.351071      3.621940
  H      -3.362560     -7.704520      5.697970
  H      -1.927023     -7.495489      4.705984
  H      -4.839781     -7.488754      3.862626
  H      -3.430306     -8.264014      3.102656
  H      -6.670317     -5.729008      1.251418
  H      -6.423236     -6.634398      2.754813
  H      -4.309806     -5.477935      0.875703
  H      -4.666967     -7.206335      1.157640
  H      -1.042764     -4.388976      1.712679
  H      -2.483220     -4.491331      0.718304
  H      -1.631505     -6.149136      3.112057
  H      -2.056311     -6.728624      1.473982
  C      -2.613701     -2.235932      2.149340
  C      -1.128871     -1.926376      1.810584
  C      -0.099087     -2.218323      2.901404
  C       1.312656     -1.841499      2.439133
  C       2.428822     -2.358249      3.327898
  Cl      2.617536     -4.168728      3.194299
  C      -3.094257     -1.231852      3.205130
  C      -3.128927      0.224663      2.740373
  C      -3.983235      0.383895      1.479858
  C      -3.524116     -0.570263      0.376980
  C      -3.473241     -2.018144      0.871048
  C      -7.351736     -4.216715      3.318393
  C      -8.070722     -5.271614      4.252623
  C      -7.412536     -5.868741      5.459202
  C      -8.053852     -7.060917      6.107696
  C      -9.314273     -6.616769      6.875674
  Cl    -10.147309     -7.992815      7.792473
  C      -7.416371     -2.814435      3.962074
  C      -6.970217     -1.697650      3.016881
  C      -7.802236     -1.654873      1.733264
  C      -7.840883     -3.034421      1.073476
  C      -8.296976     -4.091426      2.074528
  C      -2.283919     -5.382651      6.524569
  C      -3.315048     -5.648341      7.654609
  C      -2.933842     -5.278512      9.091013
  C      -4.069029     -5.592604     10.065262
  C      -3.845033     -5.140677     11.492356
  Cl     -2.469626     -6.006286     12.275512
  C      -1.041772     -6.279354      6.763900
  C       0.140857     -5.830022      5.913584
  C       0.660878     -4.470276      6.418069
  C      -0.429677     -3.699192      7.176777
  C      -1.807738     -3.901109      6.543326
  H      -0.841120     -2.473560      0.895263
  H      -1.053655     -0.862897      1.536657
  H      -0.129800     -3.287473      3.172338
  H      -0.341360     -1.659660      3.826398
  H       1.487661     -2.206926      1.404162
  H       1.411162     -0.737065      2.399824
  H       2.241782     -2.148942      4.398465
  H       3.402138     -1.940897      3.040702
  H      -4.114478     -1.529041      3.473024
  H      -2.473086     -1.332714      4.110015
  H      -2.107383      0.594276      2.545908
  H      -3.529841      0.853905      3.550921
  H      -3.951724      1.425797      1.125752
  H      -5.036115      0.163029      1.728965
  H      -2.530925     -0.259088      0.011439
  H      -4.202972     -0.503441     -0.489063
  H      -3.098813     -2.665283      0.064947
  H      -4.493495     -2.365657      1.106007
  H      -9.011313     -4.754639      4.560492
  H      -8.421419     -6.098876      3.619675
  H      -6.876214     -4.123689      5.952121
  H      -5.238712     -6.402718      5.552300
  H      -7.360669     -7.528573      6.808205
  H      -8.314044     -7.805232      5.337498
  H     -10.069556     -6.232971      6.205033
  H      -9.086865     -5.856143      7.631823
  H      -6.813878     -2.765365      4.880120
  H      -8.458827     -2.642036      4.278288
  H      -7.008165     -0.725112      3.538232
  H      -5.919630     -1.880084      2.744872
  H      -7.393469     -0.902191      1.041903
  H      -8.833830     -1.340384      1.972035
  H      -6.834918     -3.294328      0.705418
  H      -8.514677     -3.025516      0.200259
  H      -8.425941     -5.064556      1.580213
  H      -9.296637     -3.823044      2.459181
  H      -4.236016     -5.115647      7.380238
  H      -3.578744     -6.720976      7.632463
  H      -2.032500     -5.813601      9.416752
  H      -2.700481     -4.203669      9.160237
  H      -4.281607     -6.669811     10.057410
  H      -4.986305     -5.095907      9.721543
  H      -3.594332     -4.080710     11.549097
  H      -4.711166     -5.341132     12.131987
  H      -1.293359     -7.332974      6.596027
  H      -0.764888     -6.212017      7.827389
  H      -0.189783     -5.736862      4.865016
  H       0.945607     -6.580519      5.924770
  H       1.531815     -4.615645      7.076630
  H       1.012043     -3.877277      5.564172
  H      -0.188411     -2.626214      7.199635
  H      -0.457875     -4.024388      8.228850
  H      -2.539012     -3.281256      7.080871
  H      -1.776107     -3.553140      5.496861
  N      -4.443764     -2.670302      5.449358
  H      -3.560275     -2.167113      5.563869
  H      -4.704288     -3.017741      6.374727
  H      -5.134614     -1.964322      5.185006
  N      -5.405079     -5.386376      5.493084
  N      -6.591926     -5.033474      6.281268
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.861955822456
  N      -2.824281     -3.650474      2.669704
  C      -2.131584     -4.584716      1.773977
  C      -2.296038     -6.006777      2.252351
  N      -3.680249     -6.203252      2.733684
  C      -4.650886     -6.217423      1.620807
  C      -6.015013     -5.825399      2.131186
  N      -5.975270     -4.580062      2.902114
  Mo     -4.184477     -4.498627      4.013182
  N      -2.899266     -5.699130      5.183656
  C      -2.930541     -7.122523      4.860062
  C      -3.771102     -7.384709      3.607832
  H      -3.341002     -7.748203      5.682894
  H      -1.908909     -7.518533      4.683386
  H      -4.831739     -7.530856      3.853390
  H      -3.416341     -8.291428      3.079808
  H      -6.669310     -5.740435      1.251539
  H      -6.426603     -6.651421      2.743107
  H      -4.309240     -5.483539      0.881400
  H      -4.667558     -7.212023      1.141342
  H      -1.043819     -4.399539      1.719118
  H      -2.491066     -4.490904      0.729091
  H      -1.632292     -6.176116      3.105605
  H      -2.055163     -6.741280      1.462028
  C      -2.614554     -2.251825      2.187833
  C      -1.129225     -1.952320      1.843345
  C      -0.096074     -2.238939      2.929745
  C       1.313343     -1.888214      2.447697
  C       2.430197     -2.371199      3.328823
  Cl      2.601383     -4.162356      3.262182
  C      -3.087572     -1.253366      3.254703
  C      -3.122016      0.209680      2.803740
  C      -3.983663      0.384871      1.548607
  C      -3.533166     -0.560455      0.434417
  C      -3.481455     -2.015261      0.915763
  C      -7.356019     -4.228354      3.312328
  C      -8.096381     -5.285866      4.219747
  C      -7.450939     -5.893678      5.434645
  C      -8.112268     -7.084211      6.073974
  C      -9.360231     -6.634051      6.851091
  Cl    -10.203030     -8.021751      7.717055
  C      -7.397456     -2.843077      3.983924
  C      -6.913376     -1.717563      3.067575
  C      -7.732487     -1.627175      1.782187
  C      -7.798402     -2.990098      1.095308
  C      -8.288910     -4.058484      2.067721
  C      -2.283303     -5.395001      6.507837
  C      -3.296541     -5.653508      7.651096
  C      -2.920768     -5.226368      9.067789
  C      -4.047383     -5.542822     10.043165
  C      -3.836072     -5.015460     11.448015
  Cl     -2.411290     -5.788121     12.280798
  C      -1.018814     -6.256641      6.755178
  C       0.136932     -5.793112      5.882039
  C       0.627437     -4.412258      6.342955
  C      -0.467038     -3.653834      7.097317
  C      -1.844468     -3.906750      6.487248
  H      -0.847994     -2.505498      0.934965
  H      -1.050462     -0.892734      1.559082
  H      -0.133955     -3.298533      3.223521
  H      -0.322357     -1.666514      3.837787
  H       1.477649     -2.279844      1.442159
  H       1.417405     -0.799877      2.370458
  H       2.256825     -2.125707      4.373294
  H       3.403577     -1.977114      3.017086
  H      -4.106647     -1.548213      3.526186
  H      -2.461402     -1.364903      4.155951
  H      -2.101737      0.578107      2.606611
  H      -3.516892      0.831694      3.623588
  H      -3.952795      1.431075      1.203457
  H      -5.034067      0.164713      1.803319
  H      -2.543201     -0.248881      0.064879
  H      -4.217027     -0.482517     -0.427499
  H      -3.114867     -2.654318      0.099384
  H      -4.499939     -2.361486      1.155813
  H      -9.039676     -4.758683      4.514550
  H      -8.449495     -6.110007      3.575547
  H      -6.878969     -4.170194      5.928363
  H      -5.227969     -6.456990      5.575852
  H      -7.417730     -7.580171      6.766728
  H      -8.396536     -7.815439      5.299807
  H     -10.122208     -6.213242      6.188528
  H      -9.107659     -5.902299      7.634418
  H      -6.809947     -2.831437      4.908687
  H      -8.440590     -2.654304      4.291114
  H      -6.933265     -0.758282      3.607184
  H      -5.865697     -1.915547      2.797675
  H      -7.297522     -0.868681      1.110818
  H      -8.760185     -1.295267      2.018473
  H      -6.793865     -3.263797      0.730103
  H      -8.464131     -2.946813      0.220041
  H      -8.437571     -5.017033      1.555063
  H      -9.285436     -3.775627      2.451294
  H      -4.231188     -5.154940      7.365091
  H      -3.533661     -6.728578      7.664650
  H      -2.002379     -5.719296      9.414099
  H      -2.722056     -4.145170      9.099186
  H      -4.220689     -6.628648     10.081147
  H      -4.988089     -5.094289      9.670317
  H      -3.629636     -3.939769     11.456869
  H      -4.694403     -5.222328     12.088175
  H      -1.244440     -7.316140      6.615259
  H      -0.730445     -6.161321      7.812531
  H      -0.211957     -5.731753      4.836545
  H       0.960553     -6.519186      5.901956
  H       1.513235     -4.519607      6.991371
  H       0.946752     -3.829622      5.467680
  H      -0.255044     -2.578610      7.088270
  H      -0.469937     -3.953444      8.156288
  H      -2.583974     -3.296377      7.016479
  H      -1.835521     -3.580153      5.434269
  N      -4.462537     -2.718311      5.465216
  H      -3.580689     -2.218375      5.593787
  H      -4.730420     -3.079666      6.384325
  H      -5.152756     -2.007232      5.203225
  N      -5.396225     -5.439473      5.492442
  N      -6.611384     -5.085732      6.254652
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.863636304744
  N      -2.835613     -3.625621      2.688906
  C      -2.145715     -4.550757      1.780582
  C      -2.292324     -5.980559      2.253022
  N      -3.674609     -6.190163      2.742128
  C      -4.649989     -6.202723      1.632237
  C      -6.016789     -5.823176      2.146272
  N      -5.980561     -4.579989      2.915636
  Mo     -4.195028     -4.495956      4.031617
  N      -2.877848     -5.693236      5.190363
  C      -2.903066     -7.115803      4.863862
  C      -3.749719     -7.377768      3.614587
  H      -3.305115     -7.747670      5.687084
  H      -1.879173     -7.505145      4.681516
  H      -4.808632     -7.533533      3.867550
  H      -3.389296     -8.278947      3.080710
  H      -6.677024     -5.741232      1.269627
  H      -6.421897     -6.651614      2.759929
  H      -4.313876     -5.461429      0.897669
  H      -4.662333     -7.193005      1.145807
  H      -1.056610     -4.354690      1.710257
  H      -2.523551     -4.451562      0.739448
  H      -1.619203     -6.152093      3.100410
  H      -2.052032     -6.706800      1.455061
  C      -2.632342     -2.228579      2.195135
  C      -1.153756     -1.945444      1.823677
  C      -0.100280     -2.256799      2.888246
  C       1.302660     -1.918601      2.389850
  C       2.443797     -2.468036      3.245792
  Cl      2.573275     -4.282804      3.115962
  C      -3.087259     -1.210674      3.251345
  C      -3.122452      0.245721      2.779874
  C      -4.000378      0.404525      1.539218
  C      -3.566104     -0.559010      0.433508
  C      -3.513247     -2.007097      0.932558
  C      -7.359890     -4.226933      3.312315
  C      -8.106173     -5.289145      4.201348
  C      -7.474086     -5.903880      5.426291
  C      -8.140102     -7.092878      6.052197
  C      -9.368366     -6.669594      6.825187
  Cl    -10.174506     -8.076767      7.625527
  C      -7.403450     -2.839625      3.985615
  C      -6.907146     -1.713490      3.076408
  C      -7.714558     -1.621176      1.781647
  C      -7.775723     -2.984711      1.091942
  C      -8.278492     -4.055073      2.057776
  C      -2.264547     -5.390288      6.521620
  C      -3.292952     -5.652784      7.654057
  C      -2.925001     -5.226404      9.072481
  C      -4.066637     -5.534059     10.036756
  C      -3.859856     -5.001641     11.442684
  Cl     -2.440986     -5.785084     12.286336
  C      -0.998346     -6.257907      6.775840
  C       0.186166     -5.788476      5.929853
  C       0.672146     -4.403335      6.420920
  C      -0.445377     -3.647595      7.162405
  C      -1.818052     -3.894543      6.525103
  H      -0.898171     -2.500973      0.906965
  H      -1.068290     -0.884049      1.544106
  H      -0.144201     -3.321638      3.162330
  H      -0.302110     -1.693767      3.813285
  H       1.430523     -2.287785      1.356464
  H       1.422421     -0.817412      2.347655
  H       2.309203     -2.245720      4.316207
  H       3.418770     -2.088986      2.925864
  H      -4.107000     -1.496082      3.536490
  H      -2.450765     -1.310040      4.144573
  H      -2.105666      0.608051      2.564285
  H      -3.504943      0.881123      3.594678
  H      -3.973443      1.445282      1.180227
  H      -5.046582      0.188960      1.811738
  H      -2.579122     -0.255633      0.047232
  H      -4.260000     -0.492322     -0.418244
  H      -3.157635     -2.659780      0.119985
  H      -4.530082     -2.347758      1.189507
  H      -9.050544     -4.767490      4.485880
  H      -8.453432     -6.107482      3.543429
  H      -6.878043     -4.200741      5.919211
  H      -5.214243     -6.481027      5.610033
  H      -7.445376     -7.613738      6.743139
  H      -8.435405     -7.803924      5.270491
  H     -10.138324     -6.223321      6.167032
  H      -9.110584     -5.979872      7.633985
  H      -6.829440     -2.832167      4.919837
  H      -8.449263     -2.646403      4.280724
  H      -6.933491     -0.753914      3.616954
  H      -5.856720     -1.911484      2.815532
  H      -7.270964     -0.863627      1.113350
  H      -8.743632     -1.285251      2.009445
  H      -6.767543     -3.260347      0.736858
  H      -8.431562     -2.938032      0.208375
  H      -8.421668     -5.014019      1.542007
  H      -9.279072     -3.770987      2.431553
  H      -4.225534     -5.146909      7.366225
  H      -3.537145     -6.730380      7.660705
  H      -2.009886     -5.726382      9.426373
  H      -2.718618     -4.142217      9.104902
  H      -4.250261     -6.621734     10.073069
  H      -5.004787     -5.076400      9.657059
  H      -3.643821     -3.922997     11.451410
  H      -4.726894     -5.199415     12.076688
  H      -1.225931     -7.322433      6.620505
  H      -0.729878     -6.170780      7.839408
  H      -0.136510     -5.719046      4.878797
  H       1.008166     -6.519906      5.958706
  H       1.541936     -4.518472      7.087057
  H       1.018682     -3.810113      5.562826
  H      -0.228042     -2.564489      7.173103
  H      -0.475137     -3.960034      8.217059
  H      -2.568588     -3.284862      7.055812
  H      -1.789924     -3.556290      5.476476
  N      -4.494005     -2.729792      5.492773
  H      -3.619619     -2.225565      5.631651
  H      -4.765291     -3.106606      6.406713
  H      -5.189133     -2.022049      5.233706
  N      -5.381678     -5.461414      5.507313
  N      -6.618262     -5.121025      6.241957
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.865415434982
  N      -2.835818     -3.638268      2.689176
  C      -2.152329     -4.570794      1.786096
  C      -2.304263     -5.995927      2.264523
  N      -3.685204     -6.202464      2.757094
  C      -4.665177     -6.227579      1.649653
  C      -6.030162     -5.849153      2.170247
  N      -5.988933     -4.587758      2.922131
  Mo     -4.207239     -4.498440      4.030234
  N      -2.872236     -5.682525      5.193748
  C      -2.903938     -7.107581      4.882904
  C      -3.756538     -7.381992      3.639603
  H      -3.303828     -7.728909      5.713293
  H      -1.883338     -7.500738      4.701526
  H      -4.812901     -7.532764      3.898823
  H      -3.399797     -8.286105      3.111257
  H      -6.700938     -5.785891      1.292298
  H      -6.427482     -6.673638      2.806340
  H      -4.335505     -5.489081      0.905801
  H      -4.678106     -7.223456      1.170344
  H      -1.064817     -4.381581      1.714997
  H      -2.530870     -4.476148      0.745817
  H      -1.630827     -6.163985      3.111610
  H      -2.067331     -6.726368      1.469643
  C      -2.628455     -2.244437      2.188189
  C      -1.149326     -1.958501      1.820157
  C      -0.099042     -2.241863      2.891020
  C       1.302279     -1.882039      2.396126
  C       2.443450     -2.376450      3.264111
  Cl      2.619982     -4.177583      3.173628
  C      -3.084561     -1.222725      3.240075
  C      -3.111074      0.232288      2.763056
  C      -3.983640      0.392385      1.517042
  C      -3.550197     -0.578123      0.416646
  C      -3.504756     -2.025087      0.921378
  C      -7.371941     -4.213071      3.295166
  C      -8.130055     -5.256985      4.194137
  C      -7.507832     -5.857185      5.426499
  C      -8.187908     -7.033700      6.072548
  C      -9.403568     -6.574551      6.873860
  Cl    -10.258826     -7.972219      7.693487
  C      -7.424784     -2.803507      3.937970
  C      -6.925792     -1.694987      3.007251
  C      -7.722064     -1.633494      1.700347
  C      -7.767279     -3.015390      1.035947
  C      -8.274064     -4.068204      2.022680
  C      -2.256515     -5.377335      6.523080
  C      -3.273688     -5.670086      7.664546
  C      -2.890048     -5.296732      9.098347
  C      -4.024426     -5.627869     10.076389
  C      -3.798157     -5.181321     11.504568
  Cl     -2.409377     -6.042499     12.270553
  C      -0.979459     -6.237199      6.758574
  C       0.200232     -5.742574      5.911804
  C       0.672616     -4.354410      6.419122
  C      -0.452970     -3.617170      7.175891
  C      -1.825069     -3.872715      6.541095
  H      -0.883876     -2.521112      0.912280
  H      -1.071336     -0.901718      1.528349
  H      -0.128956     -3.301701      3.177033
  H      -0.316592     -1.672740      3.807520
  H       1.450879     -2.265368      1.376970
  H       1.398497     -0.786847      2.331721
  H       2.290482     -2.139453      4.323500
  H       3.411031     -1.977053      2.941412
  H      -4.107298     -1.501842      3.521610
  H      -2.452283     -1.321979      4.136801
  H      -2.090098      0.588813      2.550771
  H      -3.493995      0.871463      3.574726
  H      -3.949309      1.431759      1.153566
  H      -5.033924      0.184882      1.786119
  H      -2.559027     -0.281111      0.032649
  H      -4.240752     -0.511061     -0.438725
  H      -3.146954     -2.680283      0.111392
  H      -4.524078     -2.362925      1.175359
  H      -9.078441     -4.732858      4.465181
  H      -8.471821     -6.085916      3.545276
  H      -6.869202     -4.166168      5.912606
  H      -5.206185     -6.461098      5.654074
  H      -7.490234     -7.564628      6.750041
  H      -8.516499     -7.751083      5.298661
  H     -10.174036     -6.103290      6.231273
  H      -9.112685     -5.878450      7.677368
  H      -6.863951     -2.772114      4.883619
  H      -8.473799     -2.605142      4.216747
  H      -6.961720     -0.719699      3.526897
  H      -5.873752     -1.898228      2.759260
  H      -7.277878     -0.888033      1.018890
  H      -8.752937     -1.295116      1.914524
  H      -6.755605     -3.294863      0.694419
  H      -8.413758     -2.989810      0.142419
  H      -8.407989     -5.041950      1.524258
  H      -9.279233     -3.777515      2.379715
  H      -4.209449     -5.151795      7.406173
  H      -3.518598     -6.750517      7.639617
  H      -1.978369     -5.821737      9.420038
  H      -2.671552     -4.214861      9.166312
  H      -4.229756     -6.708418     10.063461
  H      -4.950103     -5.134927      9.741801
  H      -3.554568     -4.116731     11.563769
  H      -4.661494     -5.392875     12.151551
  H      -1.197007     -7.304968      6.588497
  H      -0.709428     -6.162049      7.824299
  H      -0.124434     -5.663519      4.861537
  H       1.031558     -6.467618      5.928916
  H       1.545206     -4.468855      7.080507
  H       1.011261     -3.745663      5.565697
  H      -0.246701     -2.528432      7.197093
  H      -0.477629     -3.942034      8.229077
  H      -2.581589     -3.277175      7.085033
  H      -1.804187     -3.520257      5.495502
  N      -4.506145     -2.721807      5.481056
  H      -3.629629     -2.219378      5.629820
  H      -4.788550     -3.099984      6.389031
  H      -5.196708     -2.016256      5.212409
  N      -5.373346     -5.452252      5.526655
  N      -6.626162     -5.094490      6.236641
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.866298579626
  N      -2.832219     -3.658676      2.704854
  C      -2.150141     -4.592040      1.802097
  C      -2.314691     -6.017990      2.268297
  N      -3.697550     -6.227995      2.753495
  C      -4.671196     -6.253080      1.641700
  C      -6.039157     -5.877192      2.156285
  N      -6.003125     -4.615032      2.909503
  Mo     -4.226998     -4.526703      4.022012
  N      -2.870869     -5.702588      5.175338
  C      -2.916817     -7.128547      4.876402
  C      -3.771843     -7.404743      3.635992
  H      -3.318648     -7.740770      5.709841
  H      -1.901695     -7.531000      4.693804
  H      -4.826502     -7.549102      3.895419
  H      -3.418618     -8.310002      3.109003
  H      -6.702909     -5.814479      1.273637
  H      -6.441053     -6.703309      2.787047
  H      -4.339410     -5.510635      0.901970
  H      -4.680039     -7.248054      1.157483
  H      -1.065177     -4.414698      1.741611
  H      -2.518820     -4.490465      0.762495
  H      -1.648383     -6.193899      3.116535
  H      -2.076356     -6.743339      1.469535
  C      -2.620980     -2.257136      2.225464
  C      -1.138473     -1.948455      1.880800
  C      -0.098284     -2.246998      2.960008
  C       1.302304     -1.836199      2.485542
  C       2.437406     -2.328484      3.354841
  Cl      2.650556     -4.132139      3.217240
  C      -3.089430     -1.262769      3.298382
  C      -3.108270      0.203781      2.853884
  C      -3.967397      0.393943      1.596221
  C      -3.524658     -0.551208      0.478883
  C      -3.484640     -2.009604      0.951911
  C      -7.393765     -4.233282      3.261715
  C      -8.158664     -5.275731      4.150987
  C      -7.545026     -5.851477      5.389227
  C      -8.222513     -7.017270      6.056437
  C      -9.425755     -6.538506      6.886765
  Cl    -10.291110     -7.920524      7.759650
  C      -7.462229     -2.829129      3.914477
  C      -6.962251     -1.710695      3.004441
  C      -7.747689     -1.646149      1.692434
  C      -7.774512     -3.018288      1.010927
  C      -8.280629     -4.083050      1.979032
  C      -2.243075     -5.387971      6.491886
  C      -3.238812     -5.646282      7.647489
  C      -2.847950     -5.218415      9.062348
  C      -3.965692     -5.557096     10.058385
  C      -3.743151     -5.037480     11.463930
  Cl     -2.277549     -5.796090     12.255929
  C      -0.984271     -6.251925      6.732629
  C       0.172284     -5.801551      5.861563
  C       0.671330     -4.424913      6.322189
  C      -0.415870     -3.656433      7.072338
  C      -1.794550     -3.902977      6.466276
  H      -0.856361     -2.483203      0.956730
  H      -1.067453     -0.880631      1.616373
  H      -0.114075     -3.321496      3.218180
  H      -0.335337     -1.706786      3.897135
  H       1.472444     -2.185976      1.447669
  H       1.377578     -0.729447      2.452289
  H       2.268558     -2.125255      4.425042
  H       3.398363     -1.891148      3.047424
  H      -4.114947     -1.544552      3.560816
  H      -2.468071     -1.383270      4.202838
  H      -2.081373      0.565069      2.661946
  H      -3.498681      0.823092      3.677633
  H      -3.926795      1.441599      1.255221
  H      -5.023049      0.183246      1.847068
  H      -2.528331     -0.246600      0.113498
  H      -4.206082     -0.463879     -0.385989
  H      -3.117545     -2.641836      0.130679
  H      -4.505807     -2.356375      1.185239
  H      -9.112269     -4.762252      4.409715
  H      -8.482600     -6.111133      3.507105
  H      -6.876940     -4.160637      5.892517
  H      -5.221735     -6.470842      5.665376
  H      -7.524187     -7.534884      6.725901
  H      -8.566937     -7.751597      5.304053
  H     -10.190151     -6.081052      6.259583
  H      -9.123434     -5.827065      7.671503
  H      -6.918310     -2.804306      4.869504
  H      -8.515351     -2.640712      4.178018
  H      -7.011409     -0.740603      3.532098
  H      -5.908437     -1.903199      2.765697
  H      -7.307447     -0.891357      1.025741
  H      -8.779833     -1.321963      1.901389
  H      -6.760577     -3.283432      0.675648
  H      -8.412799     -2.988076      0.112655
  H      -8.403782     -5.051678      1.470956
  H      -9.289479     -3.802255      2.325358
  H      -4.183337     -5.150979      7.377694
  H      -3.470963     -6.725109      7.662476
  H      -1.914463     -5.705965      9.395005
  H      -2.660380     -4.129304      9.092313
  H      -4.124218     -6.652160     10.093264
  H      -4.924296     -5.118003      9.705421
  H      -3.558259     -3.945323     11.475587
  H      -4.596601     -5.274324     12.125632
  H      -1.219283     -7.308230      6.590468
  H      -0.692553     -6.159436      7.790338
  H      -0.172735     -5.744552      4.815680
  H       0.987323     -6.530521      5.887024
  H       1.551752     -4.536162      6.972381
  H       0.996508     -3.850589      5.449320
  H      -0.194341     -2.585173      7.057435
  H      -0.419734     -3.949269      8.132634
  H      -2.526134     -3.289067      7.001502
  H      -1.789378     -3.579125      5.413194
  N      -4.524472     -2.748186      5.481365
  H      -3.643431     -2.250414      5.641178
  H      -4.813015     -3.141534      6.380895
  H      -5.213212     -2.041915      5.212798
  N      -5.383336     -5.464010      5.528680
  N      -6.641848     -5.098635      6.211745
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.868352784383
  N      -2.831831     -3.664850      2.725769
  C      -2.154911     -4.595716      1.815985
  C      -2.313751     -6.025668      2.276138
  N      -3.695516     -6.243035      2.762523
  C      -4.665535     -6.265312      1.648972
  C      -6.035225     -5.887187      2.155447
  N      -6.004564     -4.628919      2.908465
  Mo     -4.234946     -4.548774      4.035252
  N      -2.852703     -5.716442      5.173704
  C      -2.903290     -7.142920      4.881078
  C      -3.763386     -7.420728      3.644414
  H      -3.304341     -7.752163      5.717470
  H      -1.889345     -7.549509      4.696371
  H      -4.816877     -7.567897      3.909190
  H      -3.408798     -8.324798      3.115139
  H      -6.687449     -5.821536      1.271791
  H      -6.443436     -6.710180      2.776494
  H      -4.329634     -5.520583      0.915556
  H      -4.672533     -7.256971      1.159625
  H      -1.068944     -4.416330      1.746622
  H      -2.533249     -4.491189      0.779086
  H      -1.644177     -6.206272      3.120792
  H      -2.077361     -6.744436      1.470968
  C      -2.632594     -2.265481      2.239712
  C      -1.154454     -1.961126      1.875493
  C      -0.100792     -2.248423      2.942426
  C       1.294852     -1.862558      2.443288
  C       2.444754     -2.342471      3.300977
  Cl      2.642135     -4.141324      3.203808
  C      -3.096308     -1.268840      3.313817
  C      -3.125628      0.195863      2.864377
  C      -3.996826      0.375742      1.616198
  C      -3.562028     -0.572613      0.497449
  C      -3.509063     -2.028381      0.974241
  C      -7.393401     -4.236975      3.248292
  C      -8.173951     -5.283104      4.114005
  C      -7.574800     -5.855078      5.363658
  C      -8.264173     -7.012230      6.032891
  C      -9.453718     -6.529824      6.866966
  Cl    -10.302485     -7.904581      7.744850
  C      -7.446476     -2.853136      3.929926
  C      -6.906344     -1.726356      3.057107
  C      -7.672555     -1.614476      1.740040
  C      -7.721890     -2.965908      1.029221
  C      -8.263630     -4.043090      1.962211
  C      -2.228973     -5.397659      6.491591
  C      -3.229093     -5.673202      7.645851
  C      -2.847396     -5.238788      9.061072
  C      -3.981265     -5.531335     10.038810
  C      -3.762061     -4.999352     11.442219
  Cl     -2.361763     -5.794936     12.277948
  C      -0.944972     -6.242979      6.719105
  C       0.211681     -5.750786      5.850798
  C       0.679748     -4.358720      6.326853
  C      -0.435089     -3.619287      7.085363
  C      -1.811108     -3.894969      6.475216
  H      -0.883767     -2.506980      0.956102
  H      -1.084643     -0.898241      1.597859
  H      -0.119979     -3.313997      3.218475
  H      -0.319729     -1.692084      3.868851
  H       1.444616     -2.234171      1.417586
  H       1.375255     -0.763483      2.385589
  H       2.298450     -2.112671      4.362466
  H       3.403704     -1.925977      2.969460
  H      -4.119799     -1.552388      3.585342
  H      -2.468807     -1.382755      4.213573
  H      -2.103891      0.560899      2.661546
  H      -3.511159      0.816595      3.689777
  H      -3.965117      1.421275      1.271235
  H      -5.047141      0.162130      1.879469
  H      -2.572371     -0.264898      0.119728
  H      -4.252238     -0.493205     -0.359209
  H      -3.146847     -2.661132      0.150578
  H      -4.524705     -2.380665      1.218390
  H      -9.129560     -4.769734      4.358590
  H      -8.489685     -6.115935      3.464941
  H      -6.879802     -4.178524      5.864965
  H      -5.223586     -6.499101      5.694999
  H      -7.569521     -7.537587      6.699971
  H      -8.621156     -7.743609      5.292198
  H     -10.212322     -6.076062      6.243195
  H      -9.151476     -5.829469      7.648955
  H      -6.922320     -2.863458      4.891987
  H      -8.501363     -2.651866      4.179209
  H      -6.943612     -0.772373      3.604655
  H      -5.851927     -1.932012      2.829455
  H      -7.205009     -0.853722      1.096843
  H      -8.702708     -1.274758      1.942037
  H      -6.707467     -3.242610      0.700752
  H      -8.348050     -2.899749      0.126868
  H      -8.398556     -4.993688      1.432979
  H      -9.272175     -3.752995      2.302066
  H      -4.175905     -5.181485      7.373316
  H      -3.458028     -6.754644      7.658045
  H      -1.933717     -5.738153      9.412854
  H      -2.637372     -4.157530      9.083442
  H      -4.174904     -6.613379     10.081008
  H      -4.913468     -5.070664      9.664950
  H      -3.530241     -3.930909     11.443404
  H      -4.623955     -5.179387     12.085441
  H      -1.156572     -7.308774      6.560560
  H      -0.658440     -6.159183      7.779080
  H      -0.131939     -5.688863      4.804391
  H       1.049678     -6.465912      5.865053
  H       1.563746     -4.457771      6.977293
  H       0.998846     -3.763659      5.459229
  H      -0.238115     -2.534728      7.082023
  H      -0.438303     -3.924455      8.144179
  H      -2.561823     -3.298033      7.016774
  H      -1.809871     -3.562598      5.423346
  N      -4.540199     -2.781539      5.503006
  H      -3.659259     -2.290423      5.674040
  H      -4.836092     -3.188383      6.394675
  H      -5.225670     -2.070058      5.236686
  N      -5.378920     -5.488554      5.535103
  N      -6.658123     -5.121433      6.183211
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.869424419186
  N      -2.849726     -3.656125      2.752958
  C      -2.178850     -4.575132      1.826470
  C      -2.315194     -6.013700      2.279644
  N      -3.692295     -6.250016      2.778616
  C      -4.668563     -6.277931      1.669390
  C      -6.040146     -5.908043      2.179223
  N      -6.011021     -4.642665      2.919769
  Mo     -4.246814     -4.570712      4.065383
  N      -2.832805     -5.723474      5.185587
  C      -2.877980     -7.151326      4.894722
  C      -3.741751     -7.432531      3.659820
  H      -3.275372     -7.763791      5.733365
  H      -1.861176     -7.555486      4.707449
  H      -4.794240     -7.592789      3.931648
  H      -3.379581     -8.332309      3.125233
  H      -6.698560     -5.854653      1.294833
  H      -6.441569     -6.731001      2.810035
  H      -4.340856     -5.529402      0.935817
  H      -4.670723     -7.268414      1.179172
  H      -1.090855     -4.383012      1.737826
  H      -2.577783     -4.465391      0.794556
  H      -1.631479     -6.197068      3.114601
  H      -2.082158     -6.720986      1.463193
  C      -2.659137     -2.255193      2.271551
  C      -1.187491     -1.960197      1.882393
  C      -0.115483     -2.259271      2.928082
  C       1.269929     -1.873028      2.408820
  C       2.439968     -2.374606      3.239318
  Cl      2.635164     -4.178513      3.104320
  C      -3.103028     -1.258335      3.354384
  C      -3.132763      0.208561      2.909658
  C      -4.021123      0.395437      1.678132
  C      -3.609241     -0.553544      0.550363
  C      -3.552893     -2.011790      1.021051
  C      -7.396595     -4.229849      3.233686
  C      -8.199426     -5.259195      4.095987
  C      -7.614088     -5.854264      5.353229
  C      -8.336883     -7.008566      5.996305
  C      -9.504979     -6.506475      6.842948
  Cl    -10.388964     -7.893170      7.651474
  C      -7.447905     -2.827842      3.888493
  C      -6.872000     -1.725803      2.998873
  C      -7.606121     -1.626652      1.656650
  C      -7.660775     -2.998597      0.975769
  C      -8.239983     -4.049679      1.926290
  C      -2.205383     -5.395713      6.500652
  C      -3.203799     -5.667928      7.657328
  C      -2.818546     -5.230548      9.070122
  C      -3.949160     -5.522982     10.055280
  C      -3.721088     -4.994068     11.457018
  Cl     -2.314022     -5.792898     12.277419
  C      -0.916521     -6.234643      6.731481
  C       0.240298     -5.740595      5.863239
  C       0.703346     -4.344019      6.336069
  C      -0.416866     -3.606120      7.089042
  C      -1.791684     -3.891201      6.479342
  H      -0.938524     -2.507163      0.958644
  H      -1.114634     -0.897713      1.605397
  H      -0.129901     -3.327083      3.193120
  H      -0.317329     -1.711685      3.862400
  H       1.397279     -2.231334      1.374036
  H       1.349162     -0.771254      2.365504
  H       2.317040     -2.163116      4.311300
  H       3.392032     -1.955676      2.896589
  H      -4.124509     -1.537443      3.638809
  H      -2.465002     -1.377870      4.244476
  H      -2.115312      0.570055      2.692560
  H      -3.503533      0.828995      3.742018
  H      -3.989548      1.441746      1.335416
  H      -5.066490      0.187447      1.958052
  H      -2.626032     -0.248315      0.156358
  H      -4.312715     -0.469802     -0.292748
  H      -3.203920     -2.643441      0.189251
  H      -4.564668     -2.363584      1.278434
  H      -9.154440     -4.729062      4.328304
  H      -8.524256     -6.092715      3.442308
  H      -6.886664     -4.202649      5.857094
  H      -5.239290     -6.536518      5.727268
  H      -7.641967     -7.578810      6.648039
  H      -8.734750     -7.716318      5.246188
  H     -10.274065     -5.981491      6.239596
  H      -9.148356     -5.848429      7.654795
  H      -6.946304     -2.822261      4.866149
  H      -8.507279     -2.606903      4.110823
  H      -6.908620     -0.757178      3.524769
  H      -5.813084     -1.956340      2.801192
  H      -7.108929     -0.886539      1.000432
  H      -8.639632     -1.259098      1.830084
  H      -6.640030     -3.302670      0.673301
  H      -8.265944     -2.941338      0.055317
  H      -8.373914     -5.013808      1.414192
  H      -9.254161     -3.737431      2.241533
  H      -4.149075     -5.176762      7.382902
  H      -3.434135     -6.748429      7.673398
  H      -1.902496     -5.729723      9.418004
  H      -2.609947     -4.147773      9.089194
  H      -4.145110     -6.604471     10.098690
  H      -4.881892     -5.059115      9.688122
  H      -3.489150     -3.925101     11.455920
  H      -4.578467     -5.176117     12.109243
  H      -1.123062     -7.302220      6.574616
  H      -0.631887     -6.147064      7.791654
  H      -0.100908     -5.684730      4.815973
  H       1.080372     -6.452270      5.881252
  H       1.584928     -4.437719      6.990189
  H       1.024859     -3.750497      5.467624
  H      -0.224877     -2.519564      7.081591
  H      -0.420422     -3.905938      8.149072
  H      -2.543734     -3.295758      7.022064
  H      -1.792745     -3.562187      5.426584
  N      -4.569810     -2.824206      5.543883
  H      -3.693322     -2.334834      5.720914
  H      -4.867241     -3.246963      6.429121
  H      -5.257322     -2.111086      5.285976
  N      -5.382336     -5.526592      5.549615
  N      -6.685776     -5.154157      6.164542
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.870042188808
  N      -2.862546     -3.642194      2.757222
  C      -2.194417     -4.564291      1.834666
  C      -2.323910     -6.001329      2.292409
  N      -3.698838     -6.242492      2.792904
  C      -4.672655     -6.285387      1.681161
  C      -6.045853     -5.920515      2.189300
  N      -6.020851     -4.645628      2.918004
  Mo     -4.264132     -4.563248      4.073241
  N      -2.828130     -5.698431      5.189777
  C      -2.883477     -7.129148      4.915199
  C      -3.744592     -7.419896      3.681044
  H      -3.285599     -7.730596      5.758500
  H      -1.870054     -7.542225      4.734044
  H      -4.796454     -7.579570      3.952260
  H      -3.382289     -8.321931      3.151674
  H      -6.709826     -5.882084      1.302816
  H      -6.439589     -6.743079      2.832227
  H      -4.350406     -5.538437      0.941984
  H      -4.668020     -7.280046      1.197875
  H      -1.107242     -4.371869      1.742727
  H      -2.595303     -4.459987      0.803052
  H      -1.637473     -6.181176      3.125788
  H      -2.091902     -6.708303      1.475370
  C      -2.654668     -2.244208      2.279516
  C      -1.180573     -1.978634      1.877854
  C      -0.103081     -2.289109      2.915891
  C       1.285032     -1.940744      2.383481
  C       2.456711     -2.435839      3.213566
  Cl      2.621648     -4.235574      3.127371
  C      -3.065062     -1.244308      3.371929
  C      -3.065809      0.225375      2.933943
  C      -3.961563      0.439005      1.712346
  C      -3.580139     -0.511645      0.575451
  C      -3.549812     -1.975517      1.035361
  C      -7.416540     -4.241758      3.206697
  C      -8.212239     -5.281684      4.052347
  C      -7.643831     -5.853532      5.317617
  C      -8.353500     -7.000514      5.965104
  C      -9.504910     -6.515528      6.820860
  Cl    -10.343792     -7.902745      7.638194
  C      -7.502257     -2.840654      3.862507
  C      -6.954265     -1.723506      2.982503
  C      -7.684375     -1.648098      1.638290
  C      -7.694114     -3.015569      0.949797
  C      -8.246163     -4.082460      1.887457
  C      -2.198739     -5.366593      6.503222
  C      -3.190537     -5.648061      7.663612
  C      -2.797394     -5.222485      9.079562
  C      -3.917620     -5.537183     10.080761
  C      -3.679007     -5.032002     11.487563
  Cl     -2.251757     -5.836932     12.266711
  C      -0.910260     -6.203629      6.730140
  C       0.245881     -5.708328      5.865437
  C       0.709392     -4.314659      6.345351
  C      -0.410931     -3.577841      7.097268
  C      -1.784598     -3.862427      6.485722
  H      -0.951837     -2.536953      0.957467
  H      -1.089349     -0.920402      1.591888
  H      -0.137228     -3.350638      3.193143
  H      -0.283305     -1.727884      3.842902
  H       1.395571     -2.324018      1.363750
  H       1.381909     -0.847486      2.313325
  H       2.348295     -2.195104      4.272919
  H       3.413005     -2.044053      2.855944
  H      -4.089767     -1.501388      3.666812
  H      -2.421499     -1.384481      4.254883
  H      -2.042474      0.565143      2.708758
  H      -3.414215      0.850072      3.771649
  H      -3.910613      1.487335      1.374857
  H      -5.009858      0.251438      2.000371
  H      -2.593093     -0.223938      0.174787
  H      -4.289573     -0.406571     -0.260803
  H      -3.213926     -2.607393      0.198019
  H      -4.567507     -2.312240      1.291940
  H      -9.180610     -4.783598      4.269794
  H      -8.499536     -6.118321      3.394150
  H      -6.906086     -4.204746      5.834610
  H      -5.248922     -6.528773      5.749962
  H      -7.657823     -7.558305      6.616617
  H      -8.745820     -7.707506      5.221285
  H     -10.278873     -6.005369      6.226431
  H      -9.151707     -5.863173      7.626288
  H      -7.007213     -2.817510      4.845472
  H      -8.566452     -2.649098      4.074659
  H      -7.020009     -0.756083      3.511057
  H      -5.891132     -1.922777      2.792555
  H      -7.212834     -0.893995      0.991639
  H      -8.722649     -1.316703      1.807537
  H      -6.668068     -3.287357      0.655557
  H      -8.293676     -2.975231      0.024468
  H      -8.347483     -5.046707      1.368486
  H      -9.269273     -3.801947      2.190109
  H      -4.139396     -5.158509      7.397101
  H      -3.415308     -6.730440      7.674112
  H      -1.872814     -5.722318      9.410483
  H      -2.595452     -4.135639      9.107295
  H      -4.106372     -6.622996     10.111527
  H      -4.858327     -5.071979      9.736010
  H      -3.456994     -3.955448     11.499474
  H      -4.531232     -5.237607     12.155099
  H      -1.116437     -7.270021      6.566278
  H      -0.625887     -6.121214      7.791266
  H      -0.093377     -5.650479      4.818058
  H       1.083790     -6.419509      5.881812
  H       1.587470     -4.410725      7.002003
  H       1.034821     -3.720675      5.480780
  H      -0.218490     -2.491805      7.091535
  H      -0.415195     -3.877022      8.156986
  H      -2.535758     -3.268750      7.030779
  H      -1.785030     -3.533050      5.433644
  N      -4.607327     -2.812815      5.546541
  H      -3.735305     -2.318034      5.730635
  H      -4.908042     -3.246093      6.425125
  H      -5.299124     -2.107378      5.285231
  N      -5.396407     -5.520971      5.563987
  N      -6.706329     -5.158835      6.139496
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.871317268286
  N      -2.862587     -3.684233      2.746719
  C      -2.210290     -4.614644      1.823421
  C      -2.348160     -6.047054      2.281440
  N      -3.718975     -6.283382      2.790958
  C      -4.699417     -6.331736      1.684933
  C      -6.066387     -5.949038      2.199403
  N      -6.025276     -4.666674      2.915054
  Mo     -4.269895     -4.603824      4.071569
  N      -2.822108     -5.730593      5.177386
  C      -2.895494     -7.161435      4.915664
  C      -3.762648     -7.454647      3.685271
  H      -3.303011     -7.749513      5.764650
  H      -1.889063     -7.588659      4.735552
  H      -4.812193     -7.608195      3.961089
  H      -3.407771     -8.359425      3.157624
  H      -6.730211     -5.915207      1.316195
  H      -6.465880     -6.760915      2.852104
  H      -4.376376     -5.593547      0.936457
  H      -4.704636     -7.330827      1.210423
  H      -1.126121     -4.437024      1.724167
  H      -2.614679     -4.511848      0.794449
  H      -1.658759     -6.231652      3.109527
  H      -2.126865     -6.753586      1.460933
  C      -2.657917     -2.284297      2.273788
  C      -1.179743     -1.976383      1.904588
  C      -0.116814     -2.271124      2.959115
  C       1.268330     -1.837947      2.460563
  C       2.432662     -2.308698      3.301742
  Cl      2.678479     -4.105975      3.157019
  C      -3.105277     -1.304049      3.369599
  C      -3.112514      0.168662      2.945843
  C      -3.983788      0.384445      1.702536
  C      -3.568074     -0.549734      0.564000
  C      -3.527843     -2.016599      1.010054
  C      -7.416555     -4.232608      3.193998
  C      -8.234598     -5.267751      4.023074
  C      -7.674968     -5.844238      5.286286
  C      -8.404663     -6.980519      5.935675
  C      -9.538674     -6.461050      6.818201
  Cl    -10.403867     -7.828661      7.680249
  C      -7.472381     -2.845971      3.872667
  C      -6.892409     -1.726477      3.020787
  C      -7.614926     -1.607708      1.685251
  C      -7.659735     -2.956881      0.970736
  C      -8.238124     -4.029580      1.880473
  C      -2.186794     -5.392585      6.484699
  C      -3.167584     -5.676091      7.653913
  C      -2.767761     -5.217535      9.057320
  C      -3.878973     -5.511005     10.070649
  C      -3.632139     -4.962021     11.461117
  Cl     -2.196158     -5.738908     12.264281
  C      -0.888437     -6.216010      6.707034
  C       0.258561     -5.711624      5.835600
  C       0.710880     -4.311118      6.306637
  C      -0.414461     -3.579872      7.056906
  C      -1.789264     -3.883311      6.453767
  H      -0.917789     -2.511418      0.976417
  H      -1.108640     -0.910841      1.637310
  H      -0.114491     -3.345662      3.207036
  H      -0.343471     -1.742019      3.903628
  H       1.422251     -2.181738      1.419692
  H       1.322435     -0.731651      2.427711
  H       2.286418     -2.112689      4.375181
  H       3.376898     -1.852594      2.973131
  H      -4.131938     -1.576504      3.641145
  H      -2.480672     -1.447971      4.266769
  H      -2.084474      0.521177      2.746519
  H      -3.486235      0.781214      3.782896
  H      -3.934085      1.435091      1.374327
  H      -5.038262      0.186169      1.965465
  H      -2.575693     -0.246008      0.186522
  H      -4.261944     -0.444694     -0.288115
  H      -3.160226     -2.632338      0.174474
  H      -4.546399     -2.373269      1.234936
  H      -9.204143     -4.765194      4.237681
  H      -8.523659     -6.105813      3.359574
  H      -6.894919     -4.208008      5.813837
  H      -5.264596     -6.549465      5.767915
  H      -7.710831     -7.548544      6.573666
  H      -8.825383     -7.684825      5.198904
  H     -10.306043     -5.946055      6.239310
  H      -9.162748     -5.801081      7.605439
  H      -6.984949     -2.850074      4.853687
  H      -8.533050     -2.637530      4.081008
  H      -6.934868     -0.771438      3.565986
  H      -5.837743     -1.944018      2.832237
  H      -7.126087     -0.850510      1.059229
  H      -8.642450     -1.261680      1.859931
  H      -6.642522     -3.244039      0.671018
  H      -8.257631     -2.884210      0.052079
  H      -8.361693     -4.977990      1.343168
  H      -9.253628     -3.735388      2.186225
  H      -4.129112     -5.208413      7.383506
  H      -3.373258     -6.762505      7.684128
  H      -1.838004     -5.705286      9.395421
  H      -2.569266     -4.130510      9.058713
  H      -4.061469     -6.598293     10.132512
  H      -4.826259     -5.060493      9.715538
  H      -3.412873     -3.883404     11.440292
  H      -4.481305     -5.148667     12.133744
  H      -1.084340     -7.285030      6.544803
  H      -0.599208     -6.129284      7.766059
  H      -0.087072     -5.661887      4.790239
  H       1.105241     -6.414235      5.849472
  H       1.592782     -4.395444      6.961010
  H       1.028745     -3.720184      5.438759
  H      -0.233525     -2.491795      7.042668
  H      -0.410369     -3.870792      8.118367
  H      -2.544573     -3.292800      6.998138
  H      -1.799261     -3.562867      5.399792
  N      -4.601464     -2.850464      5.545810
  H      -3.720383     -2.362633      5.728972
  H      -4.900653     -3.289064      6.421581
  H      -5.291651     -2.140354      5.290343
  N      -5.400038     -5.548859      5.567999
  N      -6.715680     -5.171564      6.108263
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.872045746572
  N      -2.876408     -3.677615      2.779419
  C      -2.220265     -4.599645      1.851517
  C      -2.345074     -6.035692      2.305541
  N      -3.715702     -6.284483      2.809547
  C      -4.688767     -6.339344      1.699071
  C      -6.059340     -5.960816      2.203004
  N      -6.030082     -4.680779      2.917226
  Mo     -4.284616     -4.612874      4.095055
  N      -2.837666     -5.733112      5.198119
  C      -2.897900     -7.164518      4.932624
  C      -3.753124     -7.460840      3.697164
  H      -3.306458     -7.758559      5.777411
  H      -1.886246     -7.584054      4.757637
  H      -4.803031     -7.627918      3.964803
  H      -3.384092     -8.359754      3.167464
  H      -6.716014     -5.926485      1.319678
  H      -6.457411     -6.772293      2.846740
  H      -4.366096     -5.601051      0.953118
  H      -4.684140     -7.338750      1.226729
  H      -1.136741     -4.413379      1.749195
  H      -2.627077     -4.496163      0.823763
  H      -1.656258     -6.217603      3.134124
  H      -2.115907     -6.737723      1.483534
  C      -2.675388     -2.274576      2.320542
  C      -1.202718     -1.970767      1.930741
  C      -0.123126     -2.283556      2.964866
  C       1.255467     -1.869329      2.442795
  C       2.436046     -2.359153      3.259562
  Cl      2.656327     -4.158291      3.112166
  C      -3.103376     -1.305987      3.434479
  C      -3.116580      0.171481      3.030881
  C      -4.006769      0.402283      1.806322
  C      -3.612176     -0.517717      0.649231
  C      -3.562437     -1.989959      1.073952
  C      -7.427881     -4.241002      3.164470
  C      -8.263276     -5.271973      3.986255
  C      -7.718667     -5.848918      5.258113
  C      -8.457786     -6.983212      5.901313
  C      -9.589320     -6.452256      6.785324
  Cl    -10.465542     -7.811164      7.661911
  C      -7.502803     -2.847922      3.829645
  C      -6.876645     -1.743147      2.981676
  C      -7.541106     -1.627358      1.603636
  C      -7.578780     -2.991621      0.909566
  C      -8.209789     -4.042734      1.822155
  C      -2.183192     -5.391504      6.492806
  C      -3.142363     -5.673663      7.680583
  C      -2.725101     -5.198376      9.071694
  C      -3.821243     -5.477205     10.099717
  C      -3.556460     -4.903704     11.476215
  Cl     -2.115781     -5.666641     12.286011
  C      -0.876053     -6.209777      6.692415
  C       0.244758     -5.705774      5.788715
  C       0.702240     -4.305419      6.238016
  C      -0.406837     -3.574828      7.010195
  C      -1.793710     -3.883627      6.442966
  H      -0.960192     -2.501137      0.993891
  H      -1.129803     -0.903539      1.670336
  H      -0.127116     -3.358678      3.207455
  H      -0.325642     -1.756624      3.914093
  H       1.382251     -2.213588      1.399834
  H       1.319366     -0.764673      2.410949
  H       2.317472     -2.159005      4.334005
  H       3.379211     -1.921259      2.913099
  H      -4.125005     -1.581136      3.720252
  H      -2.465046     -1.462793      4.319062
  H      -2.093625      0.525907      2.819395
  H      -3.475921      0.774401      3.880441
  H      -3.961265      1.456464      1.491039
  H      -5.055212      0.202365      2.083962
  H      -2.629198     -0.208069      0.257080
  H      -4.321448     -0.402661     -0.186915
  H      -3.205986     -2.594497      0.226257
  H      -4.576325     -2.350610      1.306577
  H      -9.239448     -4.773185      4.186691
  H      -8.538695     -6.111665      3.322748
  H      -6.935244     -4.219966      5.800333
  H      -5.308144     -6.562294      5.777360
  H      -7.769824     -7.554828      6.541597
  H      -8.878776     -7.681816      5.162932
  H     -10.351485     -5.933903      6.206965
  H      -9.207691     -5.791199      7.567258
  H      -7.051633     -2.847018      4.831779
  H      -8.572309     -2.627124      3.995718
  H      -6.931274     -0.779185      3.514766
  H      -5.809697     -1.980002      2.842090
  H      -7.008176     -0.887176      0.978466
  H      -8.579071     -1.253029      1.729108
  H      -6.550018     -3.306443      0.651995
  H      -8.140820     -2.921643     -0.037374
  H      -8.325897     -4.999604      1.293929
  H      -9.235031     -3.726997      2.092791
  H      -4.112141     -5.217941      7.417599
  H      -3.336891     -6.760206      7.725824
  H      -1.791800     -5.679910      9.406330
  H      -2.528297     -4.113684      9.055512
  H      -4.000917     -6.561950     10.182924
  H      -4.772940     -5.034240      9.744643
  H      -3.335027     -3.830114     11.431392
  H      -4.395462     -5.072812     12.156860
  H      -1.069705     -7.278267      6.540739
  H      -0.561430     -6.119257      7.743713
  H      -0.128701     -5.660107      4.751027
  H       1.095743     -6.405268      5.785495
  H       1.600525     -4.386091      6.872166
  H       0.995792     -3.717233      5.357586
  H      -0.233213     -2.488058      6.983004
  H      -0.373793     -3.860591      8.074103
  H      -2.536639     -3.294508      7.000352
  H      -1.831141     -3.566995      5.387290
  N      -4.636005     -2.869221      5.573694
  H      -3.759467     -2.380511      5.766388
  H      -4.939464     -3.316674      6.442612
  H      -5.325055     -2.158826      5.319316
  N      -5.435131     -5.562378      5.576056
  N      -6.762221     -5.185423      6.089216
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.872960552355
  N      -2.891123     -3.667580      2.766599
  C      -2.247279     -4.580686      1.822076
  C      -2.343265     -6.021380      2.281757
  N      -3.704750     -6.288544      2.809239
  C      -4.696027     -6.364006      1.713757
  C      -6.061935     -5.988959      2.236731
  N      -6.025521     -4.690993      2.921652
  Mo     -4.275371     -4.625161      4.107327
  N      -2.811709     -5.725941      5.195841
  C      -2.857396     -7.159207      4.932681
  C      -3.714346     -7.467057      3.699402
  H      -3.260684     -7.755975      5.781449
  H      -1.839632     -7.569241      4.758520
  H      -4.761891     -7.655381      3.973873
  H      -3.332081     -8.359921      3.166349
  H      -6.740459     -5.981270      1.362743
  H      -6.440077     -6.794519      2.908190
  H      -4.391284     -5.634091      0.951107
  H      -4.691445     -7.370413      1.257583
  H      -1.164037     -4.379287      1.690643
  H      -2.680854     -4.480352      0.801358
  H      -1.634867     -6.196205      3.098639
  H      -2.119944     -6.719510      1.454577
  C      -2.690663     -2.263131      2.316938
  C      -1.218635     -1.972345      1.916591
  C      -0.133015     -2.299100      2.939773
  C       1.243833     -1.900656      2.408553
  C       2.429511     -2.405153      3.212153
  Cl      2.633759     -4.203390      3.055565
  C      -3.106739     -1.294962      3.437042
  C      -3.116955      0.184522      3.040979
  C      -4.011889      0.424475      1.823059
  C      -3.629300     -0.493141      0.659179
  C      -3.581117     -1.968369      1.075994
  C      -7.420429     -4.243204      3.165716
  C      -8.263403     -5.270352      3.979492
  C      -7.724212     -5.855913      5.250749
  C      -8.483059     -6.983234      5.881150
  C      -9.592398     -6.431230      6.779772
  Cl    -10.484049     -7.778265      7.643566
  C      -7.491000     -2.854679      3.836830
  C      -6.861730     -1.747821      2.994390
  C      -7.518600     -1.628855      1.616477
  C      -7.556594     -2.989375      0.917593
  C      -8.194381     -4.041862      1.820421
  C      -2.166685     -5.380506      6.495060
  C      -3.140652     -5.666177      7.668231
  C      -2.742331     -5.192805      9.065537
  C      -3.848628     -5.475697     10.079450
  C      -3.599579     -4.909041     11.464831
  Cl     -2.167382     -5.676990     12.275116
  C      -0.863452     -6.195043      6.707461
  C       0.266576     -5.685799      5.821216
  C       0.717821     -4.286940      6.285414
  C      -0.402132     -3.557987      7.039653
  C      -1.778915     -3.873279      6.452877
  H      -0.990862     -2.505176      0.978775
  H      -1.136528     -0.906323      1.656267
  H      -0.144113     -3.373064      3.178090
  H      -0.322609     -1.774940      3.888953
  H       1.356140     -2.244624      1.368862
  H       1.317563     -0.799453      2.377086
  H       2.322132     -2.208653      4.286037
  H       3.373875     -1.977225      2.861462
  H      -4.127040     -1.568256      3.730664
  H      -2.463313     -1.459307      4.316050
  H      -2.095034      0.535528      2.825927
  H      -3.470332      0.786262      3.894409
  H      -3.962165      1.479665      1.511587
  H      -5.058468      0.229854      2.106651
  H      -2.650028     -0.184550      0.258963
  H      -4.345316     -0.371645     -0.168942
  H      -3.228288     -2.570937      0.224248
  H      -4.594849     -2.326937      1.308760
  H      -9.239623     -4.769055      4.177729
  H      -8.538757     -6.108457      3.311579
  H      -6.914696     -4.236282      5.789085
  H      -5.305903     -6.591003      5.798516
  H      -7.795925     -7.577336      6.509648
  H      -8.929888     -7.664791      5.137615
  H     -10.359282     -5.881836      6.214579
  H      -9.173325     -5.786785      7.567858
  H      -7.038245     -2.855047      4.837791
  H      -8.559678     -2.634117      4.003836
  H      -6.916035     -0.786251      3.530574
  H      -5.795630     -1.984498      2.861816
  H      -6.983786     -0.886814      0.998365
  H      -8.555398     -1.256343      1.737070
  H      -6.527889     -3.306874      0.668306
  H      -8.112420     -2.917099     -0.032281
  H      -8.305568     -4.996036      1.287102
  H      -9.221509     -3.729849      2.084775
  H      -4.104496     -5.215064      7.391610
  H      -3.333068     -6.752498      7.707451
  H      -1.816079     -5.675479      9.404578
  H      -2.544602     -4.107468      9.059476
  H      -4.031591     -6.559590     10.150064
  H      -4.792650     -5.028290      9.721141
  H      -3.377388     -3.835057     11.434293
  H      -4.445131     -5.082782     12.136938
  H      -1.052841     -7.262970      6.547441
  H      -0.563233     -6.106813      7.763220
  H      -0.093324     -5.637498      4.779555
  H       1.114869     -6.383270      5.823636
  H       1.601356     -4.368749      6.936564
  H       1.030196     -3.698045      5.413262
  H      -0.230178     -2.471482      7.015611
  H      -0.383992     -3.840122      8.103605
  H      -2.529212     -3.285240      7.000830
  H      -1.802419     -3.559489      5.396552
  N      -4.635619     -2.893983      5.587548
  H      -3.760751     -2.401092      5.767697
  H      -4.922818     -3.346694      6.461802
  H      -5.334025     -2.185656      5.347466
  N      -5.425688     -5.588489      5.577447
  N      -6.760706     -5.201258      6.070705
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.873812351029
  N      -2.903994     -3.678142      2.762693
  C      -2.269550     -4.596691      1.819695
  C      -2.359161     -6.032352      2.289573
  N      -3.715873     -6.297356      2.823249
  C      -4.711815     -6.386625      1.733321
  C      -6.072361     -6.000057      2.260672
  N      -6.028754     -4.692869      2.925393
  Mo     -4.279879     -4.630230      4.120215
  N      -2.828392     -5.721149      5.213308
  C      -2.868108     -7.155410      4.952308
  C      -3.719866     -7.471537      3.717449
  H      -3.272956     -7.748721      5.801805
  H      -1.849049     -7.561376      4.783508
  H      -4.765597     -7.665791      3.989451
  H      -3.332422     -8.362700      3.186657
  H      -6.758866     -6.004667      1.395223
  H      -6.443967     -6.794516      2.946818
  H      -4.410020     -5.670556      0.957253
  H      -4.710735     -7.400392      1.294950
  H      -1.189229     -4.396301      1.677978
  H      -2.709716     -4.505365      0.801454
  H      -1.648290     -6.199486      3.105176
  H      -2.137326     -6.736507      1.467113
  C      -2.690714     -2.275756      2.313540
  C      -1.214498     -1.989261      1.921968
  C      -0.132893     -2.324904      2.945588
  C       1.243423     -1.900734      2.427182
  C       2.426928     -2.401089      3.231131
  Cl      2.652271     -4.195674      3.052249
  C      -3.106817     -1.302700      3.429349
  C      -3.103016      0.175912      3.031232
  C      -3.986730      0.423966      1.805482
  C      -3.601636     -0.497417      0.644968
  C      -3.567776     -1.973537      1.063538
  C      -7.425283     -4.234536      3.152718
  C      -8.280227     -5.264927      3.948898
  C      -7.753063     -5.858912      5.222806
  C      -8.518517     -6.987393      5.839254
  C      -9.619772     -6.438563      6.737509
  Cl    -10.505831     -7.784798      7.588699
  C      -7.500241     -2.849308      3.830627
  C      -6.874063     -1.734350      2.998530
  C      -7.522812     -1.614075      1.621547
  C      -7.546480     -2.968510      0.912657
  C      -8.184114     -4.029157      1.800280
  C      -2.169946     -5.368532      6.505222
  C      -3.128287     -5.667636      7.691223
  C      -2.712700     -5.197977      9.084823
  C      -3.799457     -5.495346     10.122500
  C      -3.522452     -4.948039     11.506665
  Cl     -2.077864     -5.732043     12.274993
  C      -0.851417     -6.168046      6.705369
  C       0.263874     -5.646967      5.802381
  C       0.706102     -4.241055      6.259101
  C      -0.416261     -3.522011      7.025301
  C      -1.798937     -3.854666      6.458107
  H      -0.985385     -2.516047      0.981785
  H      -1.128459     -0.921749      1.669025
  H      -0.136392     -3.404359      3.163985
  H      -0.334079     -1.819362      3.904315
  H       1.367512     -2.228927      1.382048
  H       1.306148     -0.797177      2.411302
  H       2.308382     -2.220832      4.307672
  H       3.368831     -1.955083      2.891658
  H      -4.129928     -1.570208      3.719542
  H      -2.468664     -1.472683      4.311710
  H      -2.075507      0.517169      2.823196
  H      -3.458719      0.782409      3.880524
  H      -3.924394      1.478740      1.492812
  H      -5.038458      0.239277      2.080983
  H      -2.616677     -0.196004      0.250021
  H      -4.312340     -0.369517     -0.187778
  H      -3.208303     -2.580135      0.216217
  H      -4.587754     -2.323711      1.284641
  H      -9.263179     -4.772671      4.139811
  H      -8.542012     -6.099872      3.269156
  H      -6.939539     -4.244437      5.777701
  H      -5.337655     -6.593545      5.806092
  H      -7.836232     -7.593029      6.467139
  H      -8.963912     -7.651586      5.082186
  H     -10.389186     -5.878418      6.175883
  H      -9.192896     -5.806317      7.527491
  H      -7.049351     -2.849920      4.832286
  H      -8.569131     -2.634080      3.994615
  H      -6.935118     -0.776245      3.540740
  H      -5.808724     -1.962756      2.871470
  H      -6.993975     -0.864080      1.015402
  H      -8.559024     -1.254603      1.737914
  H      -6.516977     -3.279312      0.673666
  H      -8.093898     -2.895656     -0.040753
  H      -8.283515     -4.979282      1.257413
  H      -9.214654     -3.727427      2.055116
  H      -4.102412     -5.226758      7.428520
  H      -3.304267     -6.757395      7.731020
  H      -1.774258     -5.678764      9.403250
  H      -2.522135     -4.109746      9.079503
  H      -3.978912     -6.580293     10.187930
  H      -4.751428     -5.042630      9.791358
  H      -3.298084     -3.874990     11.479803
  H      -4.355312     -5.128734     12.198689
  H      -1.028631     -7.240532      6.552702
  H      -0.539421     -6.071856      7.756669
  H      -0.111200     -5.602934      4.766005
  H       1.121946     -6.336317      5.793731
  H       1.598499     -4.314199      6.901148
  H       1.003955     -3.649210      5.382334
  H      -0.258619     -2.430925      6.995646
  H      -0.381336     -3.801804      8.090079
  H      -2.549988     -3.273901      7.016286
  H      -1.840263     -3.540325      5.402133
  N      -4.648966     -2.894460      5.589223
  H      -3.774851     -2.401000      5.770666
  H      -4.939354     -3.341623      6.462875
  H      -5.344517     -2.185543      5.346870
  N      -5.448827     -5.594292      5.582211
  N      -6.791900     -5.210816      6.048880
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.874733768456
  N      -2.917224     -3.690593      2.742381
  C      -2.308756     -4.611311      1.787233
  C      -2.377341     -6.041691      2.272079
  N      -3.721998     -6.313500      2.829762
  C      -4.736566     -6.430867      1.759287
  C      -6.084615     -6.031568      2.308806
  N      -6.025605     -4.705620      2.932293
  Mo     -4.269478     -4.643116      4.131259
  N      -2.825006     -5.719163      5.218849
  C      -2.851615     -7.153759      4.959084
  C      -3.702860     -7.483042      3.728453
  H      -3.250270     -7.745286      5.811579
  H      -1.829566     -7.547520      4.790170
  H      -4.742869     -7.692759      4.005021
  H      -3.306073     -8.368094      3.196805
  H      -6.796175     -6.065464      1.464548
  H      -6.434231     -6.807696      3.028341
  H      -4.451212     -5.738273      0.955947
  H      -4.741907     -7.457375      1.352370
  H      -1.235610     -4.409495      1.612035
  H      -2.777210     -4.532026      0.780276
  H      -1.652187     -6.195076      3.078140
  H      -2.161570     -6.752206      1.453451
  C      -2.700110     -2.285970      2.302993
  C      -1.227068     -1.988353      1.906216
  C      -0.138120     -2.324982      2.919486
  C       1.230238     -1.868297      2.403710
  C       2.421583     -2.346454      3.203798
  Cl      2.675135     -4.132868      3.028852
  C      -3.103461     -1.323853      3.432360
  C      -3.100832      0.157726      3.052890
  C      -3.991196      0.421463      1.836582
  C      -3.616435     -0.486007      0.662461
  C      -3.583093     -1.966223      1.061751
  C      -7.422638     -4.230577      3.141285
  C      -8.294234     -5.256536      3.926699
  C      -7.772543     -5.853745      5.195274
  C      -8.546377     -6.973630      5.814541
  C      -9.624907     -6.406597      6.728298
  Cl    -10.510325     -7.723780      7.624145
  C      -7.496002     -2.843160      3.817994
  C      -6.852805     -1.730428      2.993653
  C      -7.476036     -1.608045      1.608362
  C      -7.500081     -2.965273      0.900406
  C      -8.160170     -4.019901      1.779869
  C      -2.164177     -5.368714      6.512424
  C      -3.128038     -5.677113      7.689416
  C      -2.717383     -5.204728      9.083996
  C      -3.801090     -5.508181     10.122642
  C      -3.518774     -4.958890     11.507201
  Cl     -2.063669     -5.740342     12.266688
  C      -0.847572     -6.165677      6.715717
  C       0.271057     -5.644779      5.818774
  C       0.716286     -4.242890      6.288673
  C      -0.410177     -3.522047      7.048488
  C      -1.792034     -3.854253      6.475970
  H      -0.998382     -2.502208      0.957345
  H      -1.151175     -0.917148      1.667165
  H      -0.124978     -3.407753      3.117993
  H      -0.347586     -1.839155      3.888775
  H       1.362481     -2.187399      1.355633
  H       1.271964     -0.764547      2.395769
  H       2.298367     -2.167327      4.279065
  H       3.356642     -1.884905      2.863973
  H      -4.122675     -1.595618      3.731270
  H      -2.455437     -1.504931      4.305359
  H      -2.073991      0.499847      2.842760
  H      -3.450147      0.755354      3.910196
  H      -3.926847      1.479140      1.536754
  H      -5.041913      0.236386      2.114825
  H      -2.634664     -0.180183      0.262571
  H      -4.335032     -0.346860     -0.161528
  H      -3.228778     -2.564713      0.207699
  H      -4.603368     -2.314409      1.281190
  H      -9.278975     -4.769715      4.118747
  H      -8.549515     -6.089047      3.239637
  H      -6.929878     -4.237823      5.766242
  H      -5.363443     -6.596133      5.826575
  H      -7.872243     -7.586137      6.436674
  H      -9.000043     -7.623904      5.052404
  H     -10.390554     -5.855196      6.171751
  H      -9.185631     -5.766697      7.496542
  H      -7.056155     -2.844485      4.825123
  H      -8.564723     -2.620637      3.969832
  H      -6.916468     -0.771010      3.535298
  H      -5.788283     -1.963759      2.885006
  H      -6.932195     -0.861811      1.010803
  H      -8.509492     -1.240353      1.707115
  H      -6.472271     -3.289657      0.681190
  H      -8.029900     -2.890385     -0.061042
  H      -8.258205     -4.970528      1.234086
  H      -9.191332     -3.711316      2.019836
  H      -4.106269     -5.247647      7.422860
  H      -3.289895     -6.769768      7.726512
  H      -1.776258     -5.683315      9.398185
  H      -2.528495     -4.115459      9.082258
  H      -3.975388     -6.595892     10.185681
  H      -4.758151     -5.057179      9.797904
  H      -3.296795     -3.881476     11.482223
  H      -4.351059     -5.142069     12.202097
  H      -1.023839     -7.238718      6.561997
  H      -0.538970     -6.067105      7.767539
  H      -0.102429     -5.594894      4.783428
  H       1.125836     -6.335481      5.805881
  H       1.600487     -4.322780      6.939370
  H       1.026774     -3.650995      5.420004
  H      -0.250837     -2.430545      7.021632
  H      -0.380278     -3.801081      8.112550
  H      -2.544822     -3.273645      7.034941
  H      -1.830037     -3.538008      5.421162
  N      -4.641741     -2.904952      5.592135
  H      -3.765168     -2.408526      5.765528
  H      -4.922383     -3.348772      6.471284
  H      -5.340923     -2.196270      5.357701
  N      -5.457565     -5.601712      5.586776
  N      -6.800559     -5.207405      6.023159
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.875586709828
  N      -2.931904     -3.690104      2.744384
  C      -2.335574     -4.602875      1.774573
  C      -2.381348     -6.033114      2.261662
  N      -3.718095     -6.322443      2.830797
  C      -4.744445     -6.464424      1.773781
  C      -6.087843     -6.065649      2.336128
  N      -6.032709     -4.724434      2.925909
  Mo     -4.272099     -4.654118      4.134200
  N      -2.831633     -5.710917      5.222768
  C      -2.823770     -7.146192      4.957403
  C      -3.671873     -7.491868      3.729909
  H      -3.205718     -7.748334      5.810315
  H      -1.791522     -7.510838      4.784050
  H      -4.705876     -7.725537      4.010706
  H      -3.256935     -8.367125      3.195766
  H      -6.817390     -6.129738      1.508288
  H      -6.412180     -6.828625      3.081905
  H      -4.475209     -5.787164      0.952191
  H      -4.746112     -7.499664      1.388976
  H      -1.268592     -4.390806      1.577988
  H      -2.825145     -4.528962      0.778145
  H      -1.648481     -6.173424      3.063100
  H      -2.159070     -6.744639      1.445675
  C      -2.704129     -2.282145      2.323544
  C      -1.227259     -1.995045      1.929877
  C      -0.139468     -2.366146      2.936161
  C       1.232303     -1.913654      2.428497
  C       2.424033     -2.418589      3.219472
  Cl      2.647852     -4.208766      3.025294
  C      -3.097612     -1.331097      3.466709
  C      -3.084301      0.156071      3.107715
  C      -3.971434      0.444450      1.891956
  C      -3.603751     -0.449809      0.705493
  C      -3.585262     -1.935931      1.086241
  C      -7.432727     -4.245060      3.120105
  C      -8.316979     -5.265301      3.897567
  C      -7.796856     -5.864818      5.162509
  C      -8.574367     -6.981565      5.784764
  C      -9.637405     -6.394574      6.712473
  Cl    -10.555925     -7.689003      7.628711
  C      -7.513804     -2.861477      3.801628
  C      -6.866113     -1.742915      2.991024
  C      -7.472250     -1.617511      1.598984
  C      -7.483548     -2.970673      0.884428
  C      -8.153258     -4.029463      1.750468
  C      -2.164389     -5.352496      6.511382
  C      -3.118062     -5.665437      7.695048
  C      -2.701327     -5.183554      9.084451
  C      -3.775152     -5.484195     10.129733
  C      -3.479501     -4.928539     11.509522
  Cl     -2.020581     -5.706556     12.265932
  C      -0.837712     -6.136579      6.703595
  C       0.259693     -5.609528      5.782939
  C       0.700791     -4.203610      6.236863
  C      -0.419936     -3.487906      7.010279
  C      -1.807242     -3.835218      6.462909
  H      -1.005779     -2.493035      0.970527
  H      -1.140129     -0.919157      1.710913
  H      -0.137472     -3.453775      3.111334
  H      -0.340029     -1.899859      3.915490
  H       1.354795     -2.216673      1.374802
  H       1.285457     -0.808419      2.439633
  H       2.313338     -2.245520      4.296131
  H       3.364380     -1.967962      2.880775
  H      -4.117976     -1.599383      3.763721
  H      -2.447744     -1.528133      4.336399
  H      -2.053756      0.494878      2.904566
  H      -3.431083      0.743413      3.973318
  H      -3.897586      1.506408      1.606782
  H      -5.024925      0.263538      2.165334
  H      -2.619423     -0.146644      0.309190
  H      -4.322400     -0.292854     -0.117068
  H      -3.238964     -2.527894      0.225204
  H      -4.609512     -2.273897      1.303127
  H      -9.299370     -4.776507      4.089955
  H      -8.571879     -6.092616      3.207003
  H      -6.934796     -4.252195      5.744806
  H      -5.390855     -6.613122      5.830663
  H      -7.907432     -7.606719      6.397403
  H      -9.040136     -7.617605      5.016801
  H     -10.395666     -5.829229      6.161597
  H      -9.176970     -5.755757      7.472761
  H      -7.084570     -2.869470      4.813127
  H      -8.583700     -2.640175      3.944625
  H      -6.941009     -0.787316      3.537085
  H      -5.799150     -1.970002      2.894251
  H      -6.922206     -0.867904      1.012619
  H      -8.507272     -1.252564      1.683998
  H      -6.453712     -3.294441      0.681043
  H      -7.999080     -2.892487     -0.083957
  H      -8.242448     -4.976773      1.198998
  H      -9.187617     -3.723616      1.977200
  H      -4.103472     -5.247205      7.433315
  H      -3.267057     -6.759020      7.737580
  H      -1.756696     -5.655758      9.395767
  H      -2.516265     -4.095567      9.076212
  H      -3.947580     -6.570603     10.198478
  H      -4.734941     -5.035279      9.810541
  H      -3.255575     -3.853425     11.477666
  H      -4.305161     -5.104518     12.209230
  H      -1.004584     -7.212206      6.563506
  H      -0.513858     -6.026202      7.749587
  H      -0.136467     -5.564218      4.754767
  H       1.122108     -6.292954      5.755818
  H       1.596739     -4.275894      6.874506
  H       0.991659     -3.612455      5.358766
  H      -0.272633     -2.396147      6.971545
  H      -0.368943     -3.760456      8.076100
  H      -2.556270     -3.258577      7.028657
  H      -1.864607     -3.523330      5.407068
  N      -4.662878     -2.920419      5.588953
  H      -3.790324     -2.417553      5.764986
  H      -4.943281     -3.362750      6.469436
  H      -5.364421     -2.214752      5.354241
  N      -5.469362     -5.622716      5.574119
  N      -6.818838     -5.224218      5.989331
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.876409183534
  N      -2.941627     -3.689184      2.753273
  C      -2.366414     -4.597190      1.765724
  C      -2.387345     -6.025010      2.258119
  N      -3.713559     -6.327153      2.842381
  C      -4.753124     -6.486149      1.801611
  C      -6.087930     -6.078632      2.377600
  N      -6.034590     -4.728391      2.933943
  Mo     -4.264904     -4.658174      4.147610
  N      -2.831391     -5.702759      5.237413
  C      -2.789676     -7.136270      4.960913
  C      -3.641585     -7.494912      3.741728
  H      -3.147401     -7.750322      5.813787
  H      -1.749937     -7.469179      4.774085
  H      -4.667585     -7.746655      4.033362
  H      -3.214992     -8.361589      3.202655
  H      -6.832439     -6.168486      1.572452
  H      -6.388112     -6.819065      3.149292
  H      -4.495873     -5.826663      0.963611
  H      -4.758044     -7.528267      1.437099
  H      -1.308609     -4.373759      1.536573
  H      -2.890040     -4.533096      0.786605
  H      -1.645008     -6.149291      3.053176
  H      -2.161269     -6.740507      1.446609
  C      -2.715964     -2.281705      2.329633
  C      -1.239545     -1.996318      1.931565
  C      -0.146255     -2.378182      2.925755
  C       1.217857     -1.903976      2.418350
  C       2.420050     -2.403350      3.193917
  Cl      2.661314     -4.189694      2.980352
  C      -3.115960     -1.325002      3.467035
  C      -3.110132      0.160354      3.098319
  C      -3.994638      0.437627      1.877220
  C      -3.619558     -0.462790      0.696759
  C      -3.598153     -1.945105      1.089937
  C      -7.433136     -4.240768      3.107307
  C      -8.336818     -5.251205      3.873743
  C      -7.817207     -5.859589      5.136716
  C      -8.605297     -6.971451      5.766903
  C      -9.649524     -6.368469      6.705707
  Cl    -10.595883     -7.641750      7.619508
  C      -7.521873     -2.857232      3.787483
  C      -6.850060     -1.741095      2.993747
  C      -7.420955     -1.610294      1.582017
  C      -7.420859     -2.963930      0.869051
  C      -8.121902     -4.019250      1.720486
  C      -2.164293     -5.343676      6.527346
  C      -3.116850     -5.655400      7.710620
  C      -2.694255     -5.188842      9.104682
  C      -3.760625     -5.505587     10.154683
  C      -3.449263     -4.982470     11.543189
  Cl     -1.989081     -5.782145     12.265836
  C      -0.841832     -6.129710      6.718000
  C       0.246325     -5.608561      5.785593
  C       0.695978     -4.207430      6.235233
  C      -0.414698     -3.485643      7.013441
  C      -1.803544     -3.829784      6.476065
  H      -1.020612     -2.483604      0.968038
  H      -1.154020     -0.919841      1.722080
  H      -0.134294     -3.468264      3.079131
  H      -0.345597     -1.933756      3.913125
  H       1.338403     -2.189760      1.361165
  H       1.256794     -0.800081      2.445187
  H       2.317769     -2.239446      4.274493
  H       3.351311     -1.938775      2.848397
  H      -4.135939     -1.595471      3.762416
  H      -2.465508     -1.510057      4.339025
  H      -2.080588      0.503950      2.897492
  H      -3.464302      0.749453      3.960804
  H      -3.926089      1.497861      1.586597
  H      -5.047534      0.253030      2.149084
  H      -2.636131     -0.159289      0.299809
  H      -4.336900     -0.314935     -0.128528
  H      -3.254449     -2.544190      0.232092
  H      -4.621143     -2.279730      1.314314
  H      -9.311957     -4.747994      4.064219
  H      -8.601830     -6.070118      3.179503
  H      -6.927591     -4.252996      5.722922
  H      -5.409966     -6.621293      5.852656
  H      -7.949818     -7.622907      6.365570
  H      -9.089237     -7.585917      4.991599
  H     -10.397865     -5.783961      6.161786
  H      -9.167003     -5.744152      7.466429
  H      -7.117854     -2.874936      4.809181
  H      -8.594342     -2.626592      3.908769
  H      -6.938457     -0.786998      3.538813
  H      -5.777205     -1.971694      2.922757
  H      -6.845440     -0.865390      1.006934
  H      -8.459859     -1.233381      1.637012
  H      -6.384878     -3.297239      0.695502
  H      -7.908530     -2.880087     -0.115060
  H      -8.201122     -4.965728      1.168093
  H      -9.162290     -3.705351      1.920586
  H      -4.099857     -5.229114      7.455898
  H      -3.271008     -6.747562      7.744417
  H      -1.747466     -5.663366      9.404896
  H      -2.510903     -4.100707      9.108357
  H      -3.936766     -6.591826     10.203700
  H      -4.720566     -5.046594      9.856446
  H      -3.220640     -3.908693     11.530953
  H      -4.268091     -5.169302     12.250123
  H      -1.010517     -7.204871      6.589796
  H      -0.511891     -6.010809      7.762056
  H      -0.161718     -5.558775      4.761085
  H       1.104882     -6.294478      5.749164
  H       1.593799     -4.284900      6.868711
  H       0.983029     -3.618441      5.353660
  H      -0.264496     -2.397166      6.967505
  H      -0.356991     -3.753538      8.080772
  H      -2.545387     -3.251164      7.044176
  H      -1.866285     -3.518857      5.419862
  N      -4.664468     -2.927966      5.596865
  H      -3.795454     -2.421874      5.779570
  H      -4.951043     -3.364966      6.478037
  H      -5.364272     -2.222210      5.358099
  N      -5.469045     -5.637515      5.568028
  N      -6.831268     -5.229864      5.955241
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.877103419099
  N      -2.959420     -3.690854      2.744621
  C      -2.415971     -4.592489      1.730596
  C      -2.409401     -6.020952      2.225314
  N      -3.721304     -6.336394      2.838783
  C      -4.780689     -6.513097      1.818418
  C      -6.106047     -6.103258      2.415273
  N      -6.048283     -4.739412      2.937654
  Mo     -4.264642     -4.666051      4.145357
  N      -2.818823     -5.697235      5.233086
  C      -2.750367     -7.129287      4.948518
  C      -3.618967     -7.500620      3.744154
  H      -3.077355     -7.754776      5.806117
  H      -1.706145     -7.435958      4.738843
  H      -4.637428     -7.764278      4.056031
  H      -3.190069     -8.363590      3.200344
  H      -6.871824     -6.223175      1.629433
  H      -6.380157     -6.824662      3.220048
  H      -4.541262     -5.865398      0.964364
  H      -4.789868     -7.560845      1.468953
  H      -1.367972     -4.360237      1.460749
  H      -2.981852     -4.531639      0.773331
  H      -1.647028     -6.134744      3.005292
  H      -2.191284     -6.735838      1.410739
  C      -2.718729     -2.277770      2.340309
  C      -1.242017     -2.004399      1.936607
  C      -0.148861     -2.419190      2.920107
  C       1.218227     -1.945631      2.421740
  C       2.417479     -2.454417      3.197651
  Cl      2.641638     -4.242548      2.989791
  C      -3.095398     -1.333998      3.495731
  C      -3.074998      0.158402      3.149705
  C      -3.968250      0.464118      1.943061
  C      -3.613678     -0.421260      0.745792
  C      -3.607902     -1.910019      1.115306
  C      -7.441512     -4.246301      3.099270
  C      -8.351607     -5.245673      3.871947
  C      -7.823240     -5.863850      5.127902
  C      -8.613213     -6.972940      5.763184
  C      -9.644429     -6.366890      6.709798
  Cl    -10.599128     -7.634101      7.605036
  C      -7.529771     -2.848889      3.759418
  C      -6.854802     -1.743875      2.951474
  C      -7.423700     -1.630932      1.535276
  C      -7.418087     -2.996152      0.840467
  C      -8.120414     -4.044381      1.703454
  C      -2.155315     -5.331535      6.525013
  C      -3.111442     -5.648724      7.702851
  C      -2.692202     -5.181447      9.097203
  C      -3.759586     -5.499376     10.141252
  C      -3.445077     -4.982725     11.532436
  Cl     -1.990497     -5.789606     12.258397
  C      -0.823811     -6.104209      6.721602
  C       0.262846     -5.571795      5.790487
  C       0.699155     -4.164058      6.242919
  C      -0.423072     -3.451709      7.017051
  C      -1.808553     -3.811556      6.475942
  H      -1.033879     -2.475126      0.961353
  H      -1.144235     -0.923700      1.747651
  H      -0.145709     -3.513671      3.048128
  H      -0.340534     -1.995070      3.919481
  H       1.338405     -2.221121      1.361926
  H       1.260850     -0.841716      2.460191
  H       2.320732     -2.286430      4.277077
  H       3.351604     -1.997668      2.850149
  H      -4.117116     -1.594166      3.793819
  H      -2.438647     -1.536741      4.358691
  H      -2.045167      0.496287      2.945029
  H      -3.413981      0.735592      4.025383
  H      -3.892810      1.529180      1.670340
  H      -5.019763      0.283117      2.221094
  H      -2.629904     -0.122643      0.347209
  H      -4.335130     -0.253343     -0.071655
  H      -3.283601     -2.499044      0.244463
  H      -4.631737     -2.235783      1.347665
  H      -9.316165     -4.725331      4.069593
  H      -8.635636     -6.060650      3.178873
  H      -6.911874     -4.251515      5.715949
  H      -5.416153     -6.628054      5.860275
  H      -7.963526     -7.645349      6.348128
  H      -9.114006     -7.573240      4.985110
  H     -10.388196     -5.767063      6.173750
  H      -9.148445     -5.759103      7.475921
  H      -7.131583     -2.855503      4.784974
  H      -8.602274     -2.612312      3.875229
  H      -6.946309     -0.780772      3.481862
  H      -5.781745     -1.976573      2.883030
  H      -6.844740     -0.893823      0.949788
  H      -8.463139     -1.250342      1.584200
  H      -6.379172     -3.329012      0.673542
  H      -7.900763     -2.924390     -0.147828
  H      -8.189076     -5.000991      1.163897
  H      -9.164785     -3.730875      1.890039
  H      -4.094578     -5.221943      7.447262
  H      -3.265716     -6.741389      7.734595
  H      -1.745576     -5.652094      9.402271
  H      -2.511829     -4.093717      9.100761
  H      -3.939896     -6.584464     10.185153
  H      -4.717299     -5.036801      9.842646
  H      -3.211000     -3.912212     11.524602
  H      -4.262998     -5.165901     12.234780
  H      -0.979945     -7.183654      6.600552
  H      -0.498868     -5.974629      7.765679
  H      -0.145464     -5.523593      4.766685
  H       1.128550     -6.249722      5.753002
  H       1.595772     -4.233267      6.879442
  H       0.984786     -3.571374      5.363481
  H      -0.282607     -2.360036      6.969934
  H      -0.367066     -3.717459      8.084472
  H      -2.559619     -3.240150      7.043299
  H      -1.871108     -3.500595      5.420201
  N      -4.667735     -2.934480      5.591423
  H      -3.802384     -2.421735      5.773037
  H      -4.953232     -3.368007      6.476666
  H      -5.373315     -2.234140      5.349250
  N      -5.465757     -5.651289      5.559152
  N      -6.827384     -5.235495      5.938359
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.877642944450
  N      -2.967722     -3.680350      2.744530
  C      -2.445649     -4.581576      1.716931
  C      -2.415074     -6.008323      2.215580
  N      -3.716208     -6.333259      2.845385
  C      -4.783892     -6.520576      1.835280
  C      -6.105349     -6.107724      2.437321
  N      -6.052186     -4.737678      2.942278
  Mo     -4.261166     -4.659536      4.146816
  N      -2.802420     -5.684760      5.238305
  C      -2.713310     -7.113306      4.943939
  C      -3.596415     -7.492622      3.755277
  H      -3.010201     -7.751063      5.802418
  H      -1.667948     -7.399781      4.710883
  H      -4.609699     -7.755224      4.082730
  H      -3.172453     -8.357097      3.210181
  H      -6.876617     -6.244929      1.661424
  H      -6.366257     -6.813855      3.257102
  H      -4.551041     -5.878636      0.975405
  H      -4.794992     -7.570524      1.491683
  H      -1.408965     -4.339961      1.416011
  H      -3.042877     -4.529039      0.779212
  H      -1.641222     -6.109580      2.985927
  H      -2.199888     -6.724139      1.401160
  C      -2.719854     -2.267499      2.335109
  C      -1.243777     -2.003193      1.926433
  C      -0.148824     -2.434546      2.899060
  C       1.219401     -1.972209      2.397375
  C       2.422167     -2.486601      3.169006
  Cl      2.630452     -4.277470      2.981340
  C      -3.090821     -1.318236      3.486175
  C      -3.068162      0.172824      3.132310
  C      -3.964178      0.473089      1.929483
  C      -3.609365     -0.416284      0.735966
  C      -3.606647     -1.902907      1.109778
  C      -7.443525     -4.246848      3.091975
  C      -8.355339     -5.245668      3.862297
  C      -7.824030     -5.870457      5.115032
  C      -8.612899     -6.976077      5.756659
  C      -9.643510     -6.363522      6.699191
  Cl    -10.634930     -7.623436      7.578014
  C      -7.540525     -2.850620      3.751626
  C      -6.876895     -1.739318      2.949269
  C      -7.456181     -1.629266      1.538448
  C      -7.433142     -2.988305      0.838041
  C      -8.116243     -4.051606      1.691036
  C      -2.148207     -5.320717      6.536597
  C      -3.113479     -5.639997      7.705822
  C      -2.694470     -5.187285      9.105491
  C      -3.761723     -5.516567     10.146482
  C      -3.444320     -5.023176     11.545832
  Cl     -1.985723     -5.841660     12.255588
  C      -0.820091     -6.096436      6.743380
  C       0.276800     -5.566318      5.824522
  C       0.713781     -4.161313      6.289481
  C      -0.414371     -3.447543      7.054795
  C      -1.797232     -3.800608      6.499116
  H      -1.044582     -2.467391      0.945896
  H      -1.137173     -0.922625      1.744855
  H      -0.154132     -3.528561      3.015855
  H      -0.330796     -2.016580      3.902711
  H       1.333493     -2.247531      1.336566
  H       1.266530     -0.869546      2.437579
  H       2.337618     -2.304668      4.246968
  H       3.356465     -2.043832      2.808677
  H      -4.113975     -1.571246      3.785805
  H      -2.433853     -1.514985      4.348515
  H      -2.039897      0.508789      2.923137
  H      -3.403385      0.753108      4.006852
  H      -3.891967      1.536894      1.654289
  H      -5.013886      0.290313      2.210809
  H      -2.623502     -0.121402      0.340130
  H      -4.327016     -0.251492     -0.083879
  H      -3.284668     -2.493634      0.239348
  H      -4.629601     -2.228430      1.344245
  H      -9.311572     -4.714831      4.063536
  H      -8.652121     -6.055681      3.170529
  H      -6.893526     -4.256277      5.696851
  H      -5.406161     -6.632347      5.872572
  H      -7.970834     -7.664215      6.333032
  H      -9.123301     -7.565264      4.979432
  H     -10.370892     -5.739119      6.158981
  H      -9.144797     -5.768966      7.470427
  H      -7.144426     -2.855636      4.777848
  H      -8.614341     -2.623127      3.866378
  H      -6.976751     -0.779166      3.481699
  H      -5.803815     -1.959061      2.873569
  H      -6.891429     -0.883637      0.956322
  H      -8.497083     -1.265824      1.595513
  H      -6.390187     -3.298181      0.664955
  H      -7.919560     -2.919365     -0.147919
  H      -8.162174     -5.006096      1.148103
  H      -9.166924     -3.759489      1.868901
  H      -4.091150     -5.200162      7.451475
  H      -3.281203     -6.731843      7.726461
  H      -1.748358     -5.660199      9.408995
  H      -2.514954     -4.098830      9.118354
  H      -3.945886     -6.602753     10.173614
  H      -4.718858     -5.047157      9.855958
  H      -3.211849     -3.949990     11.555766
  H      -4.262324     -5.220551     12.246453
  H      -0.978045     -7.176242      6.622592
  H      -0.504992     -5.965183      7.790085
  H      -0.121424     -5.512128      4.798029
  H       1.139473     -6.246817      5.791494
  H       1.602914     -4.235011      6.934760
  H       1.010786     -3.566491      5.417447
  H      -0.268162     -2.355378      7.013261
  H      -0.370601     -3.715686      8.121646
  H      -2.552318     -3.230993      7.065425
  H      -1.850387     -3.484148      5.445134
  N      -4.674511     -2.926567      5.591303
  H      -3.816931     -2.407213      5.783810
  H      -4.970135     -3.359567      6.472718
  H      -5.381702     -2.233167      5.335782
  N      -5.457637     -5.663407      5.553597
  N      -6.818696     -5.245424      5.915468
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.878087262526
  N      -2.982682     -3.670871      2.729522
  C      -2.476127     -4.576448      1.697552
  C      -2.425420     -5.999639      2.204033
  N      -3.716288     -6.330820      2.851043
  C      -4.792360     -6.531354      1.851274
  C      -6.110677     -6.115879      2.457835
  N      -6.058480     -4.738425      2.949058
  Mo     -4.261448     -4.650099      4.143307
  N      -2.785595     -5.664116      5.236284
  C      -2.682921     -7.090306      4.940158
  C      -3.581589     -7.481990      3.768457
  H      -2.955208     -7.734365      5.802354
  H      -1.637822     -7.365054      4.688678
  H      -4.591195     -7.739235      4.110825
  H      -3.165619     -8.352221      3.226284
  H      -6.885418     -6.265666      1.687183
  H      -6.364771     -6.812717      3.287773
  H      -4.566741     -5.894122      0.985439
  H      -4.804667     -7.583757      1.514441
  H      -1.449766     -4.328399      1.372380
  H      -3.094379     -4.533888      0.774514
  H      -1.640780     -6.088888      2.964593
  H      -2.215989     -6.717528      1.390085
  C      -2.724512     -2.260371      2.318334
  C      -1.240797     -2.005384      1.928587
  C      -0.161160     -2.462498      2.905390
  C       1.218542     -2.016326      2.417716
  C       2.405717     -2.553565      3.194665
  Cl      2.585617     -4.349231      3.002646
  C      -3.109239     -1.309794      3.462838
  C      -3.077925      0.181123      3.106765
  C      -3.957658      0.482116      1.890019
  C      -3.584034     -0.407885      0.702863
  C      -3.590299     -1.894710      1.077993
  C      -7.445657     -4.245158      3.096209
  C      -8.357396     -5.241907      3.873264
  C      -7.817642     -5.870063      5.120240
  C      -8.600695     -6.971092      5.769298
  C      -9.618163     -6.362728      6.726114
  Cl    -10.593387     -7.623535      7.596871
  C      -7.535522     -2.848351      3.753276
  C      -6.861382     -1.741929      2.951396
  C      -7.442772     -1.627667      1.542724
  C      -7.431064     -2.988450      0.844587
  C      -8.117372     -4.051081      1.696557
  C      -2.143720     -5.295352      6.535044
  C      -3.111736     -5.631922      7.698675
  C      -2.702845     -5.201394      9.109124
  C      -3.770171     -5.566381     10.144156
  C      -3.463404     -5.113147     11.559024
  Cl     -1.998926     -5.940627     12.238478
  C      -0.809393     -6.058114      6.744319
  C       0.280167     -5.516157      5.826660
  C       0.701575     -4.107591      6.290735
  C      -0.432270     -3.405788      7.056417
  C      -1.810774     -3.772072      6.500657
  H      -1.038977     -2.459739      0.944735
  H      -1.117885     -0.924674      1.758098
  H      -0.184328     -3.557776      3.010235
  H      -0.343803     -2.052648      3.911140
  H       1.337609     -2.284049      1.355761
  H       1.282281     -0.913729      2.466588
  H       2.318286     -2.374753      4.272811
  H       3.348797     -2.122907      2.839727
  H      -4.137932     -1.557335      3.748073
  H      -2.466809     -1.507853      4.336209
  H      -2.044977      0.514019      2.910479
  H      -3.423547      0.762571      3.977329
  H      -3.881153      1.545855      1.614063
  H      -5.012441      0.299903      2.157982
  H      -2.589086     -0.116488      0.325687
  H      -4.285281     -0.241247     -0.131932
  H      -3.253648     -2.484508      0.211632
  H      -4.617675     -2.220845      1.294475
  H      -9.306821     -4.700738      4.082959
  H      -8.669054     -6.053074      3.187318
  H      -6.872673     -4.248735      5.691242
  H      -5.388321     -6.622892      5.888616
  H      -7.953493     -7.661415      6.330127
  H      -9.125284     -7.559403      4.998638
  H     -10.346705     -5.738989      6.197764
  H      -9.113044     -5.774742      7.501244
  H      -7.142438     -2.854004      4.779999
  H      -8.608691     -2.615595      3.864212
  H      -6.954126     -0.780529      3.482004
  H      -5.790402     -1.968105      2.874945
  H      -6.874591     -0.885353      0.958507
  H      -8.481234     -1.258237      1.604955
  H      -6.388664     -3.299442      0.664178
  H      -7.921139     -2.917734     -0.138474
  H      -8.158900     -5.007313      1.155570
  H      -9.168912     -3.760595      1.870955
  H      -4.087895     -5.189803      7.446896
  H      -3.279686     -6.724470      7.701343
  H      -1.753065     -5.670042      9.405653
  H      -2.536958     -4.109366      9.142928
  H      -3.946860     -6.655235     10.139489
  H      -4.729750     -5.095808      9.868038
  H      -3.242617     -4.036320     11.603446
  H      -4.283053     -5.344401     12.255398
  H      -0.956084     -7.138431      6.622023
  H      -0.497187     -5.924907      7.791703
  H      -0.118596     -5.465502      4.800195
  H       1.149603     -6.186872      5.793491
  H       1.592066     -4.171142      6.935422
  H       0.990543     -3.509136      5.417596
  H      -0.297495     -2.313045      7.013920
  H      -0.384874     -3.672440      8.123775
  H      -2.572186     -3.213439      7.067684
  H      -1.867835     -3.454009      5.447466
  N      -4.675071     -2.911365      5.585156
  H      -3.820276     -2.384879      5.776398
  H      -4.969914     -3.342374      6.468161
  H      -5.388354     -2.226508      5.321437
  N      -5.449436     -5.661495      5.555178
  N      -6.804304     -5.240412      5.909867
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.878443503449
  N      -2.989076     -3.666491      2.726340
  C      -2.495538     -4.573834      1.689577
  C      -2.430832     -5.995274      2.198273
  N      -3.715056     -6.332053      2.855169
  C      -4.793095     -6.538588      1.859714
  C      -6.110901     -6.121367      2.463497
  N      -6.060504     -4.742172      2.951086
  Mo     -4.261334     -4.647982      4.144611
  N      -2.778645     -5.660378      5.236911
  C      -2.668835     -7.082987      4.935548
  C      -3.575194     -7.478894      3.774404
  H      -2.927832     -7.732786      5.796759
  H      -1.624623     -7.352473      4.674297
  H      -4.583431     -7.728806      4.124626
  H      -3.166666     -8.354090      3.234220
  H      -6.882310     -6.272243      1.691304
  H      -6.368939     -6.816438      3.291907
  H      -4.569587     -5.903320      0.992482
  H      -4.804827     -7.591664      1.525980
  H      -1.477618     -4.321659      1.345986
  H      -3.127729     -4.535230      0.776793
  H      -1.639759     -6.078426      2.951575
  H      -2.225374     -6.712329      1.382823
  C      -2.722952     -2.255838      2.319798
  C      -1.238593     -2.002206      1.930429
  C      -0.155954     -2.466078      2.897536
  C       1.220822     -2.018114      2.399207
  C       2.411522     -2.553762      3.164557
  Cl      2.588736     -4.349543      2.978145
  C      -3.101850     -1.308908      3.468627
  C      -3.063034      0.183683      3.120148
  C      -3.942236      0.495464      1.905433
  C      -3.571164     -0.390230      0.714313
  C      -3.585301     -1.879971      1.080189
  C      -7.447731     -4.248059      3.094036
  C      -8.361263     -5.239580      3.879761
  C      -7.818573     -5.870554      5.125659
  C      -8.601600     -6.968089      5.779306
  C      -9.612734     -6.354162      6.743299
  Cl    -10.593077     -7.611660      7.613569
  C      -7.539660     -2.847992      3.742810
  C      -6.861077     -1.748566      2.933787
  C      -7.443844     -1.642450      1.524665
  C      -7.433640     -3.007751      0.834072
  C      -8.117657     -4.066508      1.692209
  C      -2.143562     -5.295260      6.537691
  C      -3.114525     -5.638299      7.697864
  C      -2.712570     -5.207467      9.108809
  C      -3.780839     -5.578638     10.139102
  C      -3.479563     -5.122672     11.553617
  Cl     -2.014602     -5.944694     12.243436
  C      -0.807968     -6.056959      6.747065
  C       0.281615     -5.508999      5.832941
  C       0.696877     -4.100760      6.301361
  C      -0.439595     -3.405137      7.069417
  C      -1.816358     -3.771509      6.511280
  H      -1.040792     -2.449251      0.942423
  H      -1.114053     -0.921364      1.766503
  H      -0.180078     -3.561887      2.996459
  H      -0.334156     -2.060749      3.906341
  H       1.337920     -2.283341      1.335660
  H       1.282905     -0.916189      2.448944
  H       2.331020     -2.371296      4.243363
  H       3.352094     -2.126581      2.797318
  H      -4.131516     -1.551980      3.754905
  H      -2.459810     -1.515876      4.340689
  H      -2.028106      0.511234      2.923861
  H      -3.403964      0.763333      3.993845
  H      -3.860894      1.560664      1.634261
  H      -4.998248      0.316604      2.173112
  H      -2.572764     -0.102602      0.342367
  H      -4.268240     -0.214566     -0.122117
  H      -3.246911     -2.465733      0.211224
  H      -4.615530     -2.204171      1.289015
  H      -9.305953     -4.690269      4.092912
  H      -8.682477     -6.052872      3.202263
  H      -6.867534     -4.245505      5.684879
  H      -5.380838     -6.617654      5.903205
  H      -7.950275     -7.658277      6.334999
  H      -9.135404     -7.559906      5.017551
  H     -10.337520     -5.724993      6.217872
  H      -9.103901     -5.769606      7.520843
  H      -7.149996     -2.845855      4.772003
  H      -8.612991     -2.614494      3.846803
  H      -6.949794     -0.782608      3.458515
  H      -5.790873     -1.979792      2.859538
  H      -6.879230     -0.903431      0.935010
  H      -8.482098     -1.274048      1.588704
  H      -6.391527     -3.317695      0.651708
  H      -7.926365     -2.944109     -0.149012
  H      -8.149459     -5.027620      1.158218
  H      -9.171366     -3.781674      1.860663
  H      -4.092065     -5.199754      7.441914
  H      -3.280511     -6.731060      7.696905
  H      -1.759389     -5.669360      9.409536
  H      -2.554686     -4.114460      9.142531
  H      -3.951613     -6.668570     10.133899
  H      -4.744157     -5.113246      9.857666
  H      -3.262865     -4.047296     11.598271
  H      -4.299795     -5.355328     12.243275
  H      -0.952369     -7.136907      6.617330
  H      -0.498436     -5.929561      7.796342
  H      -0.114337     -5.457031      4.805168
  H       1.154054     -6.177075      5.799027
  H       1.587197     -4.163064      6.946590
  H       0.983924     -3.497553      5.429511
  H      -0.308096     -2.311452      7.032372
  H      -0.392845     -3.676748      8.136452
  H      -2.579148     -3.219437      7.082029
  H      -1.875240     -3.446912      5.459681
  N      -4.675097     -2.912130      5.591160
  H      -3.822448     -2.381398      5.780970
  H      -4.966973     -3.344464      6.474594
  H      -5.392678     -2.232196      5.324551
  N      -5.448012     -5.660873      5.556701
  N      -6.804620     -5.236537      5.905879
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.878836888483
  N      -3.004210     -3.658953      2.716409
  C      -2.531069     -4.566759      1.671857
  C      -2.439867     -5.984602      2.185138
  N      -3.712240     -6.333590      2.860634
  C      -4.797626     -6.560220      1.876471
  C      -6.112961     -6.141064      2.482483
  N      -6.060872     -4.753752      2.952643
  Mo     -4.263025     -4.643513      4.144126
  N      -2.771505     -5.644414      5.240053
  C      -2.642112     -7.062371      4.932481
  C      -3.556698     -7.472281      3.785979
  H      -2.878286     -7.721423      5.793362
  H      -1.596946     -7.316296      4.658399
  H      -4.561400     -7.718651      4.149271
  H      -3.153596     -8.352631      3.250208
  H      -6.888433     -6.301220      1.713831
  H      -6.368926     -6.830481      3.319205
  H      -4.585974     -5.934415      0.999086
  H      -4.805501     -7.618021      1.557896
  H      -1.527009     -4.305836      1.296954
  H      -3.186592     -4.535698      0.775288
  H      -1.637182     -6.054651      2.926679
  H      -2.238384     -6.701402      1.368605
  C      -2.728318     -2.249317      2.321267
  C      -1.242844     -2.002692      1.931005
  C      -0.161475     -2.494198      2.884894
  C       1.220044     -2.071677      2.377455
  C       2.404922     -2.636241      3.130292
  Cl      2.530827     -4.436886      2.950021
  C      -3.095692     -1.311658      3.481577
  C      -3.058494      0.183198      3.150437
  C      -3.946658      0.506589      1.947048
  C      -3.579486     -0.362633      0.743163
  C      -3.591234     -1.856875      1.087215
  C      -7.448677     -4.251294      3.082955
  C      -8.370531     -5.237986      3.867450
  C      -7.828756     -5.873413      5.112805
  C      -8.608176     -6.968738      5.769567
  C      -9.613872     -6.349085      6.738217
  Cl    -10.614074     -7.601463      7.611224
  C      -7.539563     -2.851758      3.729157
  C      -6.837650     -1.762503      2.923656
  C      -7.408500     -1.651567      1.510349
  C      -7.406992     -3.017972      0.821327
  C      -8.105884     -4.071027      1.676338
  C      -2.141748     -5.274503      6.540496
  C      -3.109234     -5.630509      7.699583
  C      -2.710177     -5.208957      9.112647
  C      -3.773835     -5.597323     10.139827
  C      -3.473257     -5.157930     11.557758
  Cl     -1.999434     -5.978392     12.235284
  C      -0.796040     -6.019914      6.754272
  C       0.290712     -5.458091      5.844831
  C       0.685411     -4.043554      6.312421
  C      -0.461978     -3.362508      7.077392
  C      -1.834359     -3.746967      6.518795
  H      -1.054247     -2.435935      0.934778
  H      -1.109001     -0.921095      1.783273
  H      -0.207003     -3.589572      2.974549
  H      -0.325501     -2.093870      3.897918
  H       1.325051     -2.334985      1.312532
  H       1.305688     -0.971744      2.430687
  H       2.339798     -2.448080      4.209086
  H       3.353819     -2.238327      2.751120
  H      -4.122281     -1.556501      3.777357
  H      -2.446122     -1.531383      4.345007
  H      -2.025533      0.510547      2.947931
  H      -3.390697      0.755501      4.031801
  H      -3.870206      1.574392      1.688295
  H      -4.999166      0.321528      2.219684
  H      -2.582743     -0.070000      0.373130
  H      -4.277806     -0.175800     -0.088301
  H      -3.249181     -2.431343      0.212240
  H      -4.622304     -2.183430      1.285005
  H      -9.313965     -4.686793      4.081302
  H      -8.694258     -6.052408      3.193875
  H      -6.871685     -4.248909      5.664233
  H      -5.375958     -6.606416      5.923841
  H      -7.952075     -7.656370      6.326504
  H      -9.145986     -7.562927      5.017397
  H     -10.329403     -5.706461      6.211705
  H      -9.105015     -5.770671      7.516148
  H      -7.164659     -2.849588      4.763522
  H      -8.612485     -2.609118      3.814978
  H      -6.914037     -0.794565      3.446809
  H      -5.769767     -2.011385      2.859836
  H      -6.835510     -0.917054      0.922752
  H      -8.445834     -1.275531      1.568884
  H      -6.366440     -3.337827      0.644856
  H      -7.894139     -2.952147     -0.164969
  H      -8.130048     -5.033495      1.145080
  H      -9.161594     -3.785772      1.832033
  H      -4.089688     -5.197467      7.443757
  H      -3.268234     -6.723409      7.689554
  H      -1.752498     -5.664916      9.409283
  H      -2.562335     -4.116154      9.154579
  H      -3.938507     -6.686360     10.122254
  H      -4.739680     -5.133484      9.863897
  H      -3.266295     -4.082208     11.616009
  H      -4.290090     -5.407814     12.244576
  H      -0.926975     -7.101155      6.619642
  H      -0.491134     -5.892237      7.804506
  H      -0.100609     -5.415149      4.815185
  H       1.172888     -6.114229      5.815897
  H       1.575207     -4.092081      6.960026
  H       0.966212     -3.436645      5.441082
  H      -0.344731     -2.267168      7.040811
  H      -0.413263     -3.632982      8.144141
  H      -2.604402     -3.207208      7.091148
  H      -1.899230     -3.420362      5.468780
  N      -4.686321     -2.909478      5.591546
  H      -3.840454     -2.368719      5.781342
  H      -4.975692     -3.343532      6.473722
  H      -5.409931     -2.240291      5.318000
  N      -5.451327     -5.658677      5.557918
  N      -6.815762     -5.237975      5.884908
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.879162972427
  N      -3.014805     -3.647600      2.709413
  C      -2.555470     -4.555629      1.660428
  C      -2.448768     -5.970847      2.174619
  N      -3.713175     -6.327660      2.862067
  C      -4.803208     -6.565400      1.885756
  C      -6.117365     -6.143072      2.491277
  N      -6.062314     -4.760156      2.961952
  Mo     -4.264287     -4.633546      4.144120
  N      -2.766303     -5.628737      5.242363
  C      -2.621813     -7.042416      4.926583
  C      -3.545707     -7.460879      3.791925
  H      -2.836771     -7.709895      5.787298
  H      -1.576010     -7.281079      4.638189
  H      -4.547067     -7.704371      4.168450
  H      -3.148093     -8.344884      3.258138
  H      -6.891033     -6.295495      1.723126
  H      -6.380228     -6.832602      3.322441
  H      -4.598084     -5.947224      1.002314
  H      -4.808712     -7.625647      1.577599
  H      -1.560466     -4.289226      1.265422
  H      -3.226319     -4.528880      0.774917
  H      -1.639224     -6.033161      2.909133
  H      -2.249055     -6.687301      1.357218
  C      -2.728513     -2.240231      2.319265
  C      -1.240620     -2.002253      1.930776
  C      -0.161282     -2.513502      2.877626
  C       1.223791     -2.112757      2.362766
  C       2.405388     -2.698285      3.107312
  Cl      2.491250     -4.502841      2.935152
  C      -3.090710     -1.301486      3.481484
  C      -3.050415      0.192958      3.152857
  C      -3.938913      0.519441      1.950364
  C      -3.569069     -0.345156      0.744248
  C      -3.584842     -1.840623      1.082244
  C      -7.452966     -4.253556      3.082795
  C      -8.379013     -5.233298      3.869390
  C      -7.831573     -5.872505      5.109658
  C      -8.599324     -6.969392      5.774036
  C      -9.588259     -6.353676      6.764439
  Cl    -10.586185     -7.609631      7.634246
  C      -7.549175     -2.850502      3.721137
  C      -6.836930     -1.770382      2.913879
  C      -7.400012     -1.665207      1.496134
  C      -7.396535     -3.035218      0.812987
  C      -8.100697     -4.082998      1.671279
  C      -2.139965     -5.260938      6.545028
  C      -3.105707     -5.632628      7.701158
  C      -2.716791     -5.220493      9.119287
  C      -3.785011     -5.626264     10.132559
  C      -3.498653     -5.200820     11.558648
  Cl     -2.025351     -6.019770     12.239680
  C      -0.786652     -5.996014      6.755463
  C       0.296912     -5.419395      5.849859
  C       0.677398     -4.002956      6.323569
  C      -0.475988     -3.337439      7.094802
  C      -1.845750     -3.730323      6.536112
  H      -1.056560     -2.427230      0.929950
  H      -1.099697     -0.919832      1.793897
  H      -0.225438     -3.608026      2.964435
  H      -0.312463     -2.113808      3.893071
  H       1.316101     -2.377196      1.296750
  H       1.329442     -1.014054      2.415953
  H       2.355026     -2.503672      4.185808
  H       3.359042     -2.323446      2.716678
  H      -4.116107     -1.544999      3.781930
  H      -2.438153     -1.526078      4.341602
  H      -2.016421      0.517067      2.948444
  H      -3.379789      0.766208      4.034485
  H      -3.863929      1.587723      1.694618
  H      -4.991172      0.332227      2.221599
  H      -2.570455     -0.052933      0.378951
  H      -4.264474     -0.153190     -0.088463
  H      -3.237083     -2.413708      0.208749
  H      -4.617974     -2.163798      1.269582
  H      -9.320782     -4.682842      4.089412
  H      -8.707162     -6.047155      3.196016
  H      -6.870554     -4.245160      5.656001
  H      -5.365489     -6.586117      5.945163
  H      -7.930237     -7.651259      6.323777
  H      -9.147801     -7.567862      5.030144
  H     -10.308246     -5.700626      6.256062
  H      -9.064040     -5.785337      7.544562
  H      -7.186837     -2.842227      4.760276
  H      -8.622166     -2.604412      3.791733
  H      -6.906860     -0.798741      3.432180
  H      -5.770866     -2.031008      2.858137
  H      -6.824222     -0.934078      0.906449
  H      -8.438036     -1.287208      1.548228
  H      -6.356713     -3.360192      0.643664
  H      -7.878825     -2.973606     -0.176604
  H      -8.116660     -5.049309      1.146141
  H      -9.158453     -3.799770      1.816465
  H      -4.088820     -5.204861      7.444866
  H      -3.255824     -6.726873      7.680577
  H      -1.758572     -5.671395      9.417399
  H      -2.577706     -4.127646      9.173566
  H      -3.943259     -6.715448     10.099773
  H      -4.750552     -5.164693      9.853811
  H      -3.299428     -4.124981     11.634482
  H      -4.318675     -5.464851     12.234089
  H      -0.908324     -7.077197      6.610669
  H      -0.482998     -5.874952      7.806602
  H      -0.092457     -5.377504      4.819205
  H       1.185763     -6.067369      5.819995
  H       1.568698     -4.045669      6.969526
  H       0.950226     -3.387590      5.454893
  H      -0.368728     -2.240544      7.065936
  H      -0.423874     -3.616080      8.159651
  H      -2.619943     -3.202513      7.114471
  H      -1.915517     -3.395415      5.488861
  N      -4.694086     -2.900872      5.595389
  H      -3.854812     -2.350406      5.785172
  H      -4.978977     -3.339067      6.477437
  H      -5.425566     -2.241030      5.318785
  N      -5.449243     -5.647106      5.563618
  N      -6.817411     -5.233763      5.875607
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.879549227067
  N      -3.029292     -3.637997      2.707854
  C      -2.583914     -4.546043      1.654366
  C      -2.460878     -5.959069      2.169253
  N      -3.717184     -6.325566      2.868030
  C      -4.813396     -6.585184      1.903075
  C      -6.126739     -6.160774      2.512001
  N      -6.066714     -4.772211      2.967135
  Mo     -4.273902     -4.625852      4.145665
  N      -2.772347     -5.608369      5.253318
  C      -2.604810     -7.017985      4.930736
  C      -3.533740     -7.450073      3.806630
  H      -2.797713     -7.692972      5.790560
  H      -1.557292     -7.235607      4.630827
  H      -4.530586     -7.694204      4.196764
  H      -3.136935     -8.337582      3.277807
  H      -6.906697     -6.319669      1.745199
  H      -6.388870     -6.847371      3.351452
  H      -4.621110     -5.982047      1.006147
  H      -4.812883     -7.651634      1.615590
  H      -1.598183     -4.273332      1.239214
  H      -3.271446     -4.524924      0.780849
  H      -1.644942     -6.012201      2.897824
  H      -2.260314     -6.675988      1.352394
  C      -2.731327     -2.233811      2.321119
  C      -1.241888     -2.005729      1.930533
  C      -0.160990     -2.533640      2.867052
  C       1.223417     -2.152593      2.336556
  C       2.407741     -2.753884      3.065052
  Cl      2.464352     -4.560934      2.897568
  C      -3.085937     -1.290946      3.483857
  C      -3.038894      0.202580      3.153856
  C      -3.927122      0.531533      1.950924
  C      -3.555372     -0.331350      0.744102
  C      -3.579994     -1.827602      1.080134
  C      -7.458173     -4.253713      3.074254
  C      -8.397300     -5.223919      3.855456
  C      -7.846981     -5.872833      5.092384
  C      -8.603448     -6.974674      5.762087
  C      -9.577556     -6.368515      6.770219
  Cl    -10.562558     -7.632636      7.635203
  C      -7.549972     -2.846967      3.706973
  C      -6.816138     -1.779176      2.904269
  C      -7.369842     -1.669146      1.484639
  C      -7.372683     -3.038743      0.801511
  C      -8.091218     -4.080619      1.656842
  C      -2.145872     -5.238380      6.556396
  C      -3.102814     -5.626102      7.714346
  C      -2.712796     -5.227879      9.136168
  C      -3.775253     -5.662787     10.145155
  C      -3.490182     -5.263914     11.578914
  Cl     -2.011778     -6.086087     12.243578
  C      -0.785112     -5.961802      6.761055
  C       0.292558     -5.372413      5.857344
  C       0.659034     -3.954404      6.333786
  C      -0.497887     -3.304365      7.112188
  C      -1.865507     -3.705717      6.556053
  H      -1.063326     -2.423449      0.925771
  H      -1.096027     -0.922489      1.803427
  H      -0.242075     -3.626833      2.954545
  H      -0.294878     -2.132669      3.884601
  H       1.297310     -2.418276      1.269050
  H       1.346287     -1.055925      2.387599
  H       2.377341     -2.554946      4.143929
  H       3.360042     -2.396183      2.656214
  H      -4.110648     -1.531050      3.789185
  H      -2.429852     -1.520195      4.340543
  H      -2.002843      0.521444      2.947001
  H      -3.364793      0.779349      4.034568
  H      -3.852610      1.600563      1.696245
  H      -4.980204      0.342796      2.220755
  H      -2.553677     -0.041894      0.383021
  H      -4.248009     -0.134001     -0.090472
  H      -3.228489     -2.403163      0.209774
  H      -4.616082     -2.143295      1.259090
  H      -9.337387     -4.671187      4.078138
  H      -8.730370     -6.033897      3.177247
  H      -6.882678     -4.248224      5.633173
  H      -5.360489     -6.563941      5.973928
  H      -7.920008     -7.650231      6.306750
  H      -9.160813     -7.577474      5.027898
  H     -10.301319     -5.710868      6.278890
  H      -9.046445     -5.813542      7.551739
  H      -7.206099     -2.838318      4.751472
  H      -8.621182     -2.588970      3.759230
  H      -6.870385     -0.806329      3.421061
  H      -5.755534     -2.060885      2.854810
  H      -6.785709     -0.941720      0.897397
  H      -8.405405     -1.283468      1.530766
  H      -6.335854     -3.376211      0.640582
  H      -7.847841     -2.972293     -0.190440
  H      -8.108870     -5.047616      1.133637
  H      -9.148670     -3.790854      1.791273
  H      -4.090608     -5.203233      7.465028
  H      -3.242038     -6.722013      7.682467
  H      -1.747929     -5.672196      9.425097
  H      -2.586596     -4.133789      9.206121
  H      -3.923556     -6.753601     10.092198
  H      -4.745126     -5.203686      9.876979
  H      -3.299052     -4.188886     11.676779
  H      -4.306090     -5.548579     12.250485
  H      -0.897936     -7.041895      6.607138
  H      -0.480165     -5.847146      7.812156
  H      -0.096040     -5.333709      4.826001
  H       1.187224     -6.011965      5.827877
  H       1.553156     -3.989876      6.976162
  H       0.920297     -3.332059      5.466627
  H      -0.400605     -2.207258      7.090143
  H      -0.439837     -3.591110      8.174805
  H      -2.642213     -3.188964      7.140538
  H      -1.942772     -3.364393      5.511077
  N      -4.716191     -2.893836      5.595970
  H      -3.885367     -2.333536      5.790974
  H      -5.002311     -3.337102      6.474534
  H      -5.452422     -2.242792      5.312630
  N      -5.453424     -5.635487      5.568037
  N      -6.834009     -5.236143      5.850738
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.879944645545
  N      -3.044589     -3.627867      2.695587
  C      -2.617703     -4.537165      1.635202
  C      -2.476858     -5.947118      2.155298
  N      -3.723571     -6.319319      2.867381
  C      -4.825460     -6.597036      1.914869
  C      -6.136895     -6.167063      2.526634
  N      -6.071627     -4.780258      2.975882
  Mo     -4.278172     -4.613680      4.142012
  N      -2.772397     -5.581473      5.256132
  C      -2.587203     -6.988838      4.928782
  C      -3.523725     -7.433760      3.815562
  H      -2.759814     -7.665579      5.789474
  H      -1.540857     -7.188123      4.615059
  H      -4.514286     -7.678187      4.219810
  H      -3.127790     -8.324265      3.291012
  H      -6.917583     -6.323748      1.761830
  H      -6.401131     -6.850466      3.366183
  H      -4.642138     -6.009970      1.006157
  H      -4.821638     -7.667994      1.646153
  H      -1.642140     -4.260123      1.197486
  H      -3.327351     -4.525365      0.777613
  H      -1.652767     -5.989525      2.877056
  H      -2.277064     -6.667363      1.341086
  C      -2.734202     -2.226449      2.311670
  C      -1.241354     -2.014830      1.924331
  C      -0.174046     -2.573221      2.860151
  C       1.220391     -2.231071      2.332461
  C       2.387295     -2.865765      3.062932
  Cl      2.392501     -4.675298      2.896292
  C      -3.080885     -1.281460      3.475997
  C      -3.024686      0.212381      3.146109
  C      -3.911784      0.546230      1.943295
  C      -3.539347     -0.313262      0.734296
  C      -3.574777     -1.810202      1.067524
  C      -7.461915     -4.254644      3.074308
  C      -8.409508     -5.216575      3.853156
  C      -7.849354     -5.875492      5.081315
  C      -8.587409     -6.985163      5.758610
  C      -9.550416     -6.388668      6.780420
  Cl    -10.529815     -7.661583      7.639051
  C      -7.548096     -2.842252      3.698979
  C      -6.801428     -1.784169      2.897576
  C      -7.351816     -1.675532      1.477235
  C      -7.355926     -3.046010      0.797080
  C      -8.083150     -4.083020      1.651641
  C      -2.148478     -5.208133      6.560687
  C      -3.098008     -5.619877      7.714503
  C      -2.709699     -5.238381      9.142143
  C      -3.762459     -5.711675     10.145197
  C      -3.477265     -5.347186     11.587860
  Cl     -1.982781     -6.164032     12.223548
  C      -0.776479     -5.909161      6.759905
  C       0.295455     -5.289744      5.868854
  C       0.634138     -3.868795      6.362333
  C      -0.537587     -3.249048      7.142744
  C      -1.893384     -3.670967      6.573020
  H      -1.064458     -2.423709      0.915972
  H      -1.080127     -0.931566      1.810998
  H      -0.287146     -3.664096      2.947094
  H      -0.294016     -2.170685      3.878442
  H       1.283301     -2.497329      1.265002
  H       1.376384     -1.138147      2.383983
  H       2.365001     -2.666438      4.141464
  H       3.348153     -2.533468      2.652562
  H      -4.106348     -1.516092      3.782292
  H      -2.423381     -1.515681      4.330465
  H      -1.987435      0.526856      2.938415
  H      -3.347253      0.790323      4.027318
  H      -3.838073      1.616815      1.692517
  H      -4.965233      0.354679      2.211323
  H      -2.535496     -0.026519      0.377024
  H      -4.229727     -0.110004     -0.101291
  H      -3.224534     -2.387418      0.198219
  H      -4.613653     -2.117110      1.242642
  H      -9.345258     -4.660459      4.082295
  H      -8.749416     -6.019974      3.170352
  H      -6.882217     -4.244225      5.615073
  H      -5.341598     -6.532719      6.002722
  H      -7.889390     -7.652390      6.296637
  H      -9.150994     -7.592811      5.034319
  H     -10.278310     -5.720469      6.305788
  H      -9.007513     -5.848012      7.561754
  H      -7.217670     -2.830659      4.747613
  H      -8.617849     -2.576597      3.739186
  H      -6.845870     -0.809264      3.410786
  H      -5.744246     -2.079510      2.850334
  H      -6.764407     -0.950921      0.890040
  H      -8.385337     -1.286575      1.518757
  H      -6.320219     -3.390514      0.643870
  H      -7.825352     -2.978327     -0.196943
  H      -8.103772     -5.051905      1.131755
  H      -9.139941     -3.787347      1.777944
  H      -4.089079     -5.202848      7.473587
  H      -3.222930     -6.717004      7.668077
  H      -1.737185     -5.671932      9.420424
  H      -2.601125     -4.143828      9.232138
  H      -3.895990     -6.803080     10.066856
  H      -4.738427     -5.259017      9.891947
  H      -3.302604     -4.271336     11.713397
  H      -4.285059     -5.664564     12.257379
  H      -0.869128     -6.989336      6.590886
  H      -0.477975     -5.802613      7.813842
  H      -0.086511     -5.248616      4.835547
  H       1.200052     -5.913378      5.838979
  H       1.525903     -3.892638      7.007246
  H       0.885405     -3.230912      5.503373
  H      -0.459083     -2.150124      7.134489
  H      -0.480776     -3.547869      8.201538
  H      -2.683684     -3.171313      7.154888
  H      -1.967706     -3.325016      5.529744
  N      -4.727601     -2.877105      5.588893
  H      -3.903618     -2.307513      5.787965
  H      -5.013996     -3.324860      6.465730
  H      -5.469631     -2.233480      5.301118
  N      -5.449623     -5.616668      5.572326
  N      -6.835781     -5.232659      5.830651
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.880409370427
  N      -3.060576     -3.621250      2.681677
  C      -2.654166     -4.532873      1.614281
  C      -2.496076     -5.938817      2.142973
  N      -3.732298     -6.313734      2.870058
  C      -4.841530     -6.614145      1.933986
  C      -6.148162     -6.177069      2.553749
  N      -6.077249     -4.785179      2.986383
  Mo     -4.281096     -4.601750      4.141305
  N      -2.776551     -5.553806      5.262823
  C      -2.573256     -6.959994      4.931337
  C      -3.514150     -7.417859      3.826833
  H      -2.729106     -7.636522      5.794437
  H      -1.527710     -7.140557      4.605662
  H      -4.498002     -7.668705      4.241743
  H      -3.113083     -8.307761      3.305083
  H      -6.935674     -6.343060      1.796702
  H      -6.403326     -6.851516      3.404171
  H      -4.669986     -6.048162      1.009715
  H      -4.835350     -7.690686      1.688891
  H      -1.689107     -4.254526      1.155615
  H      -3.385918     -4.532692      0.775099
  H      -1.663459     -5.969263      2.856985
  H      -2.297519     -6.664971      1.333629
  C      -2.736443     -2.222525      2.297626
  C      -1.241043     -2.029109      1.909166
  C      -0.184198     -2.614260      2.840523
  C       1.216241     -2.294579      2.313919
  C       2.374213     -2.942468      3.045317
  Cl      2.368615     -4.751671      2.873361
  C      -3.070506     -1.275827      3.464158
  C      -3.000122      0.218247      3.134394
  C      -3.886032      0.560520      1.933758
  C      -3.520204     -0.298549      0.722155
  C      -3.572252     -1.795068      1.054079
  C      -7.464944     -4.252832      3.075572
  C      -8.422916     -5.208167      3.849999
  C      -7.853090     -5.883088      5.065915
  C      -8.572987     -7.004349      5.745502
  C      -9.527425     -6.418058      6.779722
  Cl    -10.496134     -7.700582      7.637136
  C      -7.548129     -2.837683      3.695064
  C      -6.791905     -1.783113      2.900594
  C      -7.333190     -1.675465      1.475918
  C      -7.333643     -3.046058      0.798321
  C      -8.072386     -4.079274      1.646630
  C      -2.153031     -5.181202      6.570370
  C      -3.098428     -5.617226      7.718061
  C      -2.713341     -5.249239      9.151406
  C      -3.755485     -5.756513     10.148220
  C      -3.469181     -5.418013     11.597896
  Cl     -1.956457     -6.223414     12.207828
  C      -0.771675     -5.863805      6.759707
  C       0.292381     -5.216155      5.880302
  C       0.610709     -3.798100      6.397610
  C      -0.572792     -3.208759      7.183679
  C      -1.917904     -3.641583      6.596592
  H      -1.068214     -2.430214      0.896931
  H      -1.063516     -0.947025      1.808485
  H      -0.319724     -3.704065      2.923392
  H      -0.294315     -2.213792      3.861592
  H       1.274533     -2.560531      1.245667
  H       1.388712     -1.204053      2.366009
  H       2.352521     -2.747004      4.124624
  H       3.336716     -2.613369      2.635647
  H      -4.098051     -1.500678      3.770401
  H      -2.412739     -1.515630      4.316392
  H      -1.961448      0.525684      2.925683
  H      -3.316691      0.797263      4.017074
  H      -3.808545      1.631972      1.687221
  H      -4.939978      0.370850      2.202096
  H      -2.514443     -0.018947      0.364999
  H      -4.210154     -0.088244     -0.111975
  H      -3.231632     -2.376231      0.183839
  H      -4.614495     -2.088944      1.232933
  H      -9.352142     -4.644627      4.086442
  H      -8.771449     -6.001017      3.159966
  H      -6.882782     -4.243489      5.595889
  H      -5.324392     -6.500956      6.033060
  H      -7.862582     -7.666542      6.271625
  H      -9.141217     -7.611500      5.025128
  H     -10.261392     -5.742962      6.322674
  H      -8.969966     -5.888208      7.558272
  H      -7.231212     -2.825101      4.748071
  H      -8.617696     -2.569351      3.724704
  H      -6.837205     -0.807815      3.412182
  H      -5.734731     -2.082543      2.859507
  H      -6.740098     -0.952753      0.892547
  H      -8.365736     -1.284429      1.506923
  H      -6.296979     -3.394066      0.657868
  H      -7.792783     -2.977275     -0.200312
  H      -8.098369     -5.047881      1.127104
  H      -9.127948     -3.775542      1.764591
  H      -4.092538     -5.205815      7.485234
  H      -3.209728     -6.715239      7.659698
  H      -1.734091     -5.671271      9.421315
  H      -2.621324     -4.154748      9.258597
  H      -3.873296     -6.848174     10.048647
  H      -4.738655     -5.313515      9.907552
  H      -3.311115     -4.340999     11.746115
  H      -4.268399     -5.764091     12.265121
  H      -0.846649     -6.942854      6.576614
  H      -0.476236     -5.766537      7.815336
  H      -0.087723     -5.163545      4.847203
  H       1.204761     -5.827566      5.842801
  H       1.501387     -3.818145      7.043971
  H       0.852983     -3.141621      5.550317
  H      -0.509291     -2.108757      7.195049
  H      -0.517469     -3.525419      8.237145
  H      -2.720640     -3.156169      7.173670
  H      -1.984304     -3.289717      5.554822
  N      -4.736470     -2.857856      5.580185
  H      -3.918129     -2.282086      5.785757
  H      -5.026135     -3.309656      6.454222
  H      -5.480932     -2.217796      5.289989
  N      -5.448596     -5.600029      5.578092
  N      -6.838821     -5.233832      5.806881
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.880963134632
  N      -3.075768     -3.611615      2.665768
  C      -2.683342     -4.524536      1.591961
  C      -2.510245     -5.927018      2.129158
  N      -3.737415     -6.303179      2.869003
  C      -4.850918     -6.622635      1.945485
  C      -6.155047     -6.183375      2.568934
  N      -6.084633     -4.787995      2.992840
  Mo     -4.284615     -4.587479      4.137155
  N      -2.777910     -5.519905      5.263894
  C      -2.560451     -6.926545      4.930726
  C      -3.502759     -7.397867      3.832542
  H      -2.706106     -7.600004      5.797783
  H      -1.515552     -7.094098      4.597409
  H      -4.481219     -7.658468      4.253165
  H      -3.091632     -8.285001      3.313249
  H      -6.944714     -6.356080      1.816849
  H      -6.401677     -6.852234      3.424633
  H      -4.688058     -6.071870      1.010751
  H      -4.841185     -7.702221      1.716299
  H      -1.726320     -4.245676      1.119763
  H      -3.431301     -4.535152      0.768694
  H      -1.670674     -5.946723      2.835719
  H      -2.313106     -6.658899      1.324492
  C      -2.738239     -2.214339      2.284786
  C      -1.240440     -2.044186      1.895436
  C      -0.203471     -2.666373      2.824253
  C       1.208224     -2.390818      2.304379
  C       2.341771     -3.074719      3.043155
  Cl      2.297568     -4.882522      2.853156
  C      -3.057311     -1.270259      3.456785
  C      -2.969776      0.224898      3.132773
  C      -3.854866      0.581444      1.936842
  C      -3.500678     -0.275666      0.719968
  C      -3.572725     -1.771846      1.047115
  C      -7.469225     -4.252096      3.075415
  C      -8.436407     -5.201904      3.850148
  C      -7.856058     -5.895245      5.051757
  C      -8.556694     -7.032296      5.728768
  C      -9.511236     -6.457165      6.770676
  Cl    -10.455332     -7.752551      7.641934
  C      -7.548921     -2.833639      3.688033
  C      -6.788742     -1.780573      2.894824
  C      -7.326011     -1.677921      1.468028
  C      -7.324056     -3.051525      0.796664
  C      -8.069067     -4.080528      1.642233
  C      -2.155298     -5.148020      6.575295
  C      -3.092999     -5.611725      7.718409
  C      -2.708416     -5.253543      9.155497
  C      -3.731359     -5.799075     10.152956
  C      -3.438951     -5.478649     11.605659
  Cl     -1.904058     -6.262889     12.186458
  C      -0.762327     -5.806449      6.753476
  C       0.290798     -5.120795      5.891600
  C       0.582729     -3.708588      6.442578
  C      -0.617637     -3.159864      7.231989
  C      -1.946347     -3.605860      6.616829
  H      -1.074013     -2.436895      0.878818
  H      -1.035977     -0.965897      1.808431
  H      -0.373180     -3.751628      2.905218
  H      -0.302894     -2.264765      3.845566
  H       1.264112     -2.656078      1.235723
  H       1.412921     -1.305294      2.359740
  H       2.314498     -2.889425      4.123726
  H       3.315254     -2.762380      2.647410
  H      -4.088345     -1.481699      3.760841
  H      -2.401991     -1.519381      4.307422
  H      -1.929263      0.523810      2.923950
  H      -3.278440      0.801858      4.019905
  H      -3.770198      1.653718      1.697339
  H      -4.909386      0.396520      2.207282
  H      -2.492772     -0.006058      0.361938
  H      -4.190280     -0.054861     -0.111394
  H      -3.248196     -2.355246      0.171898
  H      -4.617986     -2.051062      1.234957
  H      -9.355842     -4.623558      4.093672
  H      -8.798174     -5.984681      3.155997
  H      -6.886715     -4.246723      5.572058
  H      -5.296721     -6.464159      6.066603
  H      -7.832934     -7.688944      6.241829
  H      -9.126046     -7.641741      5.011138
  H     -10.254721     -5.790247      6.323113
  H      -8.949254     -5.924215      7.542341
  H      -7.239644     -2.816905      4.744016
  H      -8.619082     -2.566556      3.713005
  H      -6.838930     -0.803423      3.402419
  H      -5.730761     -2.076640      2.855965
  H      -6.730869     -0.957494      0.885156
  H      -8.357224     -1.286592      1.492764
  H      -6.285933     -3.397710      0.664347
  H      -7.776963     -2.986353     -0.204785
  H      -8.101831     -5.050267      1.124780
  H      -9.122669     -3.769364      1.756717
  H      -4.092266     -5.209022      7.495622
  H      -3.188170     -6.710486      7.651249
  H      -1.717379     -5.657082      9.414184
  H      -2.640221     -4.158046      9.275423
  H      -3.825922     -6.891958     10.036918
  H      -4.727190     -5.374833      9.927652
  H      -3.300449     -4.401329     11.769482
  H      -4.224445     -5.852178     12.274402
  H      -0.813255     -6.883359      6.552386
  H      -0.472208     -5.721327      7.811825
  H      -0.087281     -5.050986      4.859337
  H       1.213128     -5.715664      5.843278
  H       1.469795     -3.725330      7.093755
  H       0.817149     -3.027308      5.612421
  H      -0.574529     -2.059487      7.269867
  H      -0.566914     -3.499227      8.278098
  H      -2.767094     -3.138597      7.183324
  H      -1.997380     -3.246608      5.576444
  N      -4.749245     -2.836691      5.564305
  H      -3.937245     -2.253474      5.774603
  H      -5.038506     -3.296411      6.435643
  H      -5.499012     -2.201916      5.275936
  N      -5.446233     -5.582825      5.584211
  N      -6.843063     -5.238977      5.780801
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.881523769532
  N      -3.084170     -3.607380      2.652363
  C      -2.701376     -4.522485      1.574969
  C      -2.521463     -5.921925      2.121230
  N      -3.742780     -6.293028      2.872047
  C      -4.859330     -6.622960      1.956051
  C      -6.160541     -6.184219      2.582688
  N      -6.091938     -4.784025      2.999809
  Mo     -4.285861     -4.573574      4.136115
  N      -2.781391     -5.493899      5.266617
  C      -2.559928     -6.902259      4.934758
  C      -3.500042     -7.382385      3.838659
  H      -2.706117     -7.571200      5.805926
  H      -1.514636     -7.067559      4.601759
  H      -4.476685     -7.652428      4.257508
  H      -3.078636     -8.265678      3.320912
  H      -6.954833     -6.365249      1.836782
  H      -6.396619     -6.847863      3.446144
  H      -4.701266     -6.079394      1.015944
  H      -4.848996     -7.703927      1.733962
  H      -1.748026     -4.246709      1.095071
  H      -3.458046     -4.538964      0.761414
  H      -1.676421     -5.935267      2.820933
  H      -2.329587     -6.660000      1.320814
  C      -2.734607     -2.209912      2.275834
  C      -1.235420     -2.054201      1.883626
  C      -0.206330     -2.702601      2.800866
  C       1.208322     -2.450107      2.275830
  C       2.329908     -3.159453      3.008695
  Cl      2.273926     -4.963984      2.775826
  C      -3.041828     -1.270216      3.453041
  C      -2.934082      0.225631      3.136444
  C      -3.814645      0.600743      1.942922
  C      -3.475311     -0.258150      0.722505
  C      -3.571048     -1.753233      1.046755
  C      -7.475219     -4.250693      3.079191
  C      -8.446585     -5.204186      3.854430
  C      -7.856805     -5.915658      5.040404
  C      -8.536475     -7.071946      5.707514
  C      -9.502202     -6.515338      6.749856
  Cl    -10.415256     -7.829575      7.633903
  C      -7.558472     -2.834120      3.691980
  C      -6.797873     -1.776288      2.902812
  C      -7.325682     -1.675713      1.470752
  C      -7.320084     -3.052038      0.803519
  C      -8.071762     -4.079136      1.644268
  C      -2.159275     -5.128018      6.582246
  C      -3.093139     -5.608314      7.722092
  C      -2.712328     -5.252858      9.161464
  C      -3.722820     -5.815819     10.158998
  C      -3.430868     -5.491468     11.611402
  Cl     -1.879243     -6.248480     12.183863
  C      -0.758890     -5.772796      6.750191
  C       0.284726     -5.059048      5.901832
  C       0.560420     -3.654567      6.479182
  C      -0.649759     -3.135983      7.272405
  C      -1.967261     -3.585417      6.635608
  H      -1.078972     -2.436856      0.861108
  H      -1.009974     -0.979427      1.808957
  H      -0.393789     -3.784614      2.878387
  H      -0.295811     -2.303845      3.824258
  H       1.261271     -2.710939      1.205300
  H       1.429985     -1.367668      2.337519
  H       2.295394     -2.997219      4.093727
  H       3.309201     -2.846213      2.628099
  H      -4.077450     -1.466665      3.752679
  H      -2.392719     -1.530415      4.304693
  H      -1.889394      0.511809      2.929946
  H      -3.234812      0.801001      4.027686
  H      -3.714174      1.672513      1.708009
  H      -4.871986      0.429817      2.214478
  H      -2.463387     -0.004261      0.363952
  H      -4.162237     -0.024694     -0.107674
  H      -3.266004     -2.340088      0.166182
  H      -4.619356     -2.015052      1.246389
  H      -9.355792     -4.614738      4.106382
  H      -8.818804     -5.977330      3.156812
  H      -6.902220     -4.251216      5.555382
  H      -5.276391     -6.431141      6.091457
  H      -7.801334     -7.721014      6.211230
  H      -9.094120     -7.683755      4.983966
  H     -10.260795     -5.863937      6.302448
  H      -8.945802     -5.968431      7.516544
  H      -7.252814     -2.817403      4.749803
  H      -8.630364     -2.572023      3.715230
  H      -6.861260     -0.799053      3.409060
  H      -5.736005     -2.060918      2.870197
  H      -6.725137     -0.956866      0.890750
  H      -8.357540     -1.283177      1.487207
  H      -6.278945     -3.393393      0.678945
  H      -7.765514     -2.990448     -0.201940
  H      -8.107302     -5.048638      1.126745
  H      -9.124530     -3.763290      1.757110
  H      -4.094467     -5.209534      7.503535
  H      -3.181046     -6.706841      7.652831
  H      -1.715922     -5.643096      9.416689
  H      -2.659437     -4.157833      9.284684
  H      -3.799327     -6.908725     10.040455
  H      -4.726671     -5.409867      9.937027
  H      -3.309754     -4.412410     11.776133
  H      -4.208026     -5.878461     12.280806
  H      -0.793897     -6.846878      6.534399
  H      -0.470384     -5.699704      7.810022
  H      -0.096128     -4.974406      4.872478
  H       1.214551     -5.641551      5.841365
  H       1.446578     -3.673262      7.132980
  H       0.789548     -2.953790      5.663621
  H      -0.621317     -2.036823      7.332499
  H      -0.600407     -3.494739      8.311615
  H      -2.801089     -3.130197      7.191315
  H      -2.003572     -3.218430      5.596852
  N      -4.755163     -2.816639      5.551756
  H      -3.944827     -2.233778      5.769241
  H      -5.046441     -3.284133      6.418285
  H      -5.505191     -2.180064      5.268240
  N      -5.451520     -5.565200      5.591403
  N      -6.851133     -5.246058      5.763237
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.882069490546
  N      -3.097157     -3.596934      2.637471
  C      -2.727848     -4.511360      1.554873
  C      -2.532512     -5.906739      2.105052
  N      -3.742880     -6.278883      2.873725
  C      -4.866485     -6.622234      1.969366
  C      -6.163999     -6.186540      2.603446
  N      -6.100795     -4.780533      3.007024
  Mo     -4.288210     -4.557840      4.133550
  N      -2.774871     -5.460496      5.263021
  C      -2.540417     -6.866859      4.928758
  C      -3.482450     -7.362639      3.842048
  H      -2.673437     -7.536750      5.802539
  H      -1.494814     -7.021931      4.589845
  H      -4.454278     -7.643370      4.265974
  H      -3.052358     -8.241747      3.324449
  H      -6.966332     -6.379546      1.869837
  H      -6.386268     -6.841287      3.477553
  H      -4.719124     -6.083637      1.024386
  H      -4.853016     -7.704689      1.754089
  H      -1.784375     -4.233130      1.057939
  H      -3.497468     -4.532514      0.754702
  H      -1.678607     -5.911690      2.792896
  H      -2.348369     -6.648304      1.306089
  C      -2.734014     -2.200614      2.269659
  C      -1.232278     -2.062876      1.882195
  C      -0.227750     -2.757378      2.792792
  C       1.199992     -2.551624      2.284653
  C       2.277721     -3.314832      3.028915
  Cl      2.156135     -5.110326      2.760342
  C      -3.031808     -1.263840      3.450877
  C      -2.907624      0.231745      3.142435
  C      -3.784031      0.622394      1.951139
  C      -3.454037     -0.235599      0.727886
  C      -3.569034     -1.730031      1.046371
  C      -7.485255     -4.247895      3.076252
  C      -8.462057     -5.203491      3.850733
  C      -7.862268     -5.930800      5.020675
  C      -8.523278     -7.102883      5.678286
  C      -9.484569     -6.565181      6.736029
  Cl    -10.363632     -7.894712      7.634495
  C      -7.577072     -2.831639      3.687431
  C      -6.813512     -1.771448      2.901854
  C      -7.327823     -1.675147      1.464201
  C      -7.314359     -3.054300      0.801218
  C      -8.072676     -4.080467      1.637206
  C      -2.154465     -5.098695      6.580700
  C      -3.075630     -5.604048      7.721500
  C      -2.697571     -5.253319      9.162185
  C      -3.692553     -5.841990     10.159619
  C      -3.401976     -5.513206     11.611340
  Cl     -1.834075     -6.239777     12.178275
  C      -0.741240     -5.721476      6.734510
  C       0.288404     -4.970155      5.899451
  C       0.539039     -3.573534      6.505761
  C      -0.683599     -3.092474      7.305117
  C      -1.989409     -3.554076      6.652885
  H      -1.083286     -2.426615      0.851018
  H      -0.978053     -0.992953      1.829918
  H      -0.451865     -3.833289      2.855548
  H      -0.312325     -2.368101      3.820781
  H       1.260713     -2.805717      1.212813
  H       1.462216     -1.478839      2.359527
  H       2.221560     -3.170540      4.115335
  H       3.279005     -3.035803      2.680232
  H      -4.070422     -1.447402      3.748814
  H      -2.388313     -1.535243      4.303090
  H      -1.859287      0.505324      2.937405
  H      -3.201347      0.806309      4.036469
  H      -3.670317      1.693006      1.720259
  H      -4.843089      0.463649      2.222641
  H      -2.437690      0.004675      0.372959
  H      -4.135093      0.010446     -0.103165
  H      -3.276144     -2.318020      0.162194
  H      -4.620081     -1.976959      1.249592
  H      -9.362569     -4.604968      4.111479
  H      -8.845150     -5.970214      3.151222
  H      -6.909276     -4.263179      5.534662
  H      -5.254303     -6.398536      6.124382
  H      -7.775585     -7.750555      6.164546
  H      -9.079595     -7.712818      4.950378
  H     -10.260198     -5.928988      6.296961
  H      -8.928154     -6.006094      7.496989
  H      -7.279230     -2.811927      4.747888
  H      -8.649836     -2.572430      3.702678
  H      -6.889232     -0.793307      3.405632
  H      -5.748759     -2.046756      2.880139
  H      -6.722844     -0.957475      0.887962
  H      -8.360750     -1.283841      1.471624
  H      -6.270337     -3.390377      0.686985
  H      -7.749460     -2.998436     -0.209635
  H      -8.099495     -5.050985      1.121229
  H      -9.127170     -3.767010      1.741095
  H      -4.083467     -5.215883      7.509320
  H      -3.149028     -6.703361      7.645881
  H      -1.692337     -5.625072      9.411144
  H      -2.667102     -4.158206      9.291311
  H      -3.745172     -6.935863     10.036911
  H      -4.707288     -5.458411      9.942658
  H      -3.300925     -4.433273     11.777050
  H      -4.169871     -5.913896     12.280458
  H      -0.754721     -6.791779      6.497885
  H      -0.453725     -5.664164      7.796061
  H      -0.095819     -4.871338      4.872560
  H       1.229255     -5.533873      5.824418
  H       1.423210     -3.591718      7.162255
  H       0.760757     -2.850532      5.705526
  H      -0.677571     -1.994193      7.387313
  H      -0.630593     -3.470873      8.337459
  H      -2.836005     -3.120274      7.205865
  H      -2.021078     -3.173052      5.618570
  N      -4.768516     -2.798136      5.536591
  H      -3.962322     -2.212569      5.760596
  H      -5.059586     -3.275228      6.397486
  H      -5.521377     -2.164756      5.256019
  N      -5.449675     -5.553089      5.599151
  N      -6.857494     -5.260460      5.735470
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.882487377720
  N      -3.098564     -3.587360      2.622710
  C      -2.732515     -4.499739      1.538775
  C      -2.533026     -5.893666      2.089298
  N      -3.736825     -6.261249      2.872779
  C      -4.865262     -6.605402      1.971033
  C      -6.162411     -6.178221      2.606552
  N      -6.109124     -4.771638      3.008889
  Mo     -4.284810     -4.537342      4.125780
  N      -2.766909     -5.430257      5.256725
  C      -2.523442     -6.834245      4.920722
  C      -3.467115     -7.343088      3.841738
  H      -2.645166     -7.508009      5.795026
  H      -1.476410     -6.984467      4.579974
  H      -4.437582     -7.630740      4.267474
  H      -3.032138     -8.220640      3.325756
  H      -6.968756     -6.375687      1.880063
  H      -6.380167     -6.829977      3.483313
  H      -4.722146     -6.058705      1.029601
  H      -4.849936     -7.687198      1.749041
  H      -1.793330     -4.218588      1.033419
  H      -3.503922     -4.516826      0.740341
  H      -1.672773     -5.898380      2.767562
  H      -2.360822     -6.637443      1.289970
  C      -2.725266     -2.191797      2.266445
  C      -1.220739     -2.067965      1.884195
  C      -0.235272     -2.805787      2.782697
  C       1.202025     -2.643638      2.288287
  C       2.230599     -3.474616      3.033973
  Cl      2.025573     -5.252575      2.709318
  C      -3.019884     -1.255519      3.448780
  C      -2.883442      0.239299      3.146003
  C      -3.754204      0.641158      1.953771
  C      -3.430445     -0.219592      0.731735
  C      -3.562818     -1.712620      1.049170
  C      -7.495993     -4.244618      3.081779
  C      -8.473572     -5.203241      3.869879
  C      -7.854601     -5.947572      5.019113
  C      -8.490955     -7.141281      5.661172
  C      -9.466576     -6.637132      6.723214
  Cl    -10.293839     -7.991891      7.635514
  C      -7.587237     -2.828343      3.693697
  C      -6.829240     -1.767859      2.898050
  C      -7.349015     -1.675506      1.463703
  C      -7.336843     -3.057267      0.803505
  C      -8.090196     -4.083965      1.646138
  C      -2.153475     -5.069996      6.577500
  C      -3.065504     -5.592123      7.719486
  C      -2.692101     -5.250372      9.162279
  C      -3.677561     -5.862977     10.156969
  C      -3.395063     -5.532309     11.608782
  Cl     -1.820104     -6.233937     12.176343
  C      -0.728605     -5.672826      6.730861
  C       0.293702     -4.892769      5.911093
  C       0.519929     -3.501977      6.535443
  C      -0.716322     -3.047068      7.328667
  C      -2.012019     -3.523446      6.664515
  H      -1.081662     -2.411390      0.844253
  H      -0.942080     -1.003095      1.854206
  H      -0.491891     -3.874512      2.825593
  H      -0.313647     -2.432601      3.817786
  H       1.267404     -2.885131      1.212686
  H       1.508282     -1.583579      2.383697
  H       2.152138     -3.356165      4.122024
  H       3.254760     -3.242283      2.721313
  H      -4.060967     -1.429779      3.745094
  H      -2.382855     -1.534754      4.303668
  H      -1.831372      0.500490      2.942622
  H      -3.172043      0.815358      4.040330
  H      -3.624945      1.709408      1.722003
  H      -4.815737      0.498471      2.223469
  H      -2.408197      0.004988      0.383602
  H      -4.101907      0.036932     -0.103742
  H      -3.282893     -2.304559      0.163640
  H      -4.616179     -1.943865      1.258163
  H      -9.358933     -4.590893      4.150882
  H      -8.879943     -5.964284      3.174771
  H      -6.930098     -4.256491      5.531864
  H      -5.239235     -6.365393      6.126272
  H      -7.728853     -7.780553      6.140555
  H      -9.027548     -7.758170      4.921235
  H     -10.268991     -6.040716      6.276987
  H      -8.937676     -6.045999      7.481187
  H      -7.277665     -2.808861      4.750296
  H      -8.658777     -2.565729      3.717769
  H      -6.908394     -0.788273      3.399222
  H      -5.763190     -2.035496      2.873675
  H      -6.746959     -0.959104      0.882931
  H      -8.382553     -1.285276      1.478881
  H      -6.291794     -3.387905      0.684300
  H      -7.774587     -3.007078     -0.206348
  H      -8.105469     -5.057428      1.134456
  H      -9.146883     -3.778203      1.750597
  H      -4.077118     -5.207835      7.510554
  H      -3.133189     -6.691883      7.636272
  H      -1.679856     -5.607975      9.406685
  H      -2.681602     -4.155267      9.299335
  H      -3.709033     -6.957051     10.029693
  H      -4.699434     -5.498608      9.942649
  H      -3.311599     -4.452741     11.775126
  H      -4.158567     -5.943852     12.276322
  H      -0.724103     -6.739322      6.478717
  H      -0.446505     -5.626615      7.793974
  H      -0.090113     -4.787330      4.884938
  H       1.244483     -5.439064      5.830150
  H       1.398372     -3.518931      7.200325
  H       0.743483     -2.767398      5.746234
  H      -0.730615     -1.950360      7.422210
  H      -0.662100     -3.435328      8.356551
  H      -2.870752     -3.107577      7.211947
  H      -2.040978     -3.130648      5.635014
  N      -4.774816     -2.774011      5.511773
  H      -3.968987     -2.188831      5.735838
  H      -5.062009     -3.256510      6.371648
  H      -5.530222     -2.142919      5.234860
  N      -5.455889     -5.528459      5.595345
  N      -6.863886     -5.255887      5.730502
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.882808629889
  N      -3.106036     -3.588506      2.627430
  C      -2.747442     -4.498079      1.541317
  C      -2.542352     -5.892353      2.086032
  N      -3.740039     -6.261377      2.878499
  C      -4.874134     -6.603521      1.981294
  C      -6.167498     -6.177804      2.625768
  N      -6.115410     -4.770628      3.019285
  Mo     -4.289076     -4.540046      4.133898
  N      -2.762649     -5.434083      5.259743
  C      -2.515411     -6.834708      4.919516
  C      -3.463548     -7.344564      3.844927
  H      -2.626897     -7.513323      5.790634
  H      -1.469470     -6.980242      4.573470
  H      -4.430919     -7.631077      4.277206
  H      -3.033003     -8.221451      3.324839
  H      -6.981329     -6.381719      1.910177
  H      -6.377650     -6.823050      3.509079
  H      -4.737073     -6.052268      1.041744
  H      -4.858925     -7.684574      1.756303
  H      -1.814601     -4.212517      1.025284
  H      -3.524460     -4.512467      0.746494
  H      -1.676612     -5.898664      2.758018
  H      -2.377485     -6.634420      1.283790
  C      -2.728076     -2.193738      2.273275
  C      -1.221796     -2.069171      1.891627
  C      -0.227250     -2.805309      2.779636
  C       1.206447     -2.628312      2.278732
  C       2.240685     -3.471854      3.001408
  Cl      2.032660     -5.243539      2.637847
  C      -3.023001     -1.253661      3.453361
  C      -2.876363      0.240116      3.148237
  C      -3.738782      0.647546      1.949950
  C      -3.416595     -0.219235      0.731794
  C      -3.561352     -1.711589      1.052438
  C      -7.503870     -4.242701      3.083329
  C      -8.483896     -5.201684      3.864074
  C      -7.863628     -5.949885      5.008194
  C      -8.501958     -7.147060      5.639889
  C      -9.472855     -6.657557      6.710561
  Cl    -10.296605     -8.021704      7.610767
  C      -7.597867     -2.825321      3.695079
  C      -6.833278     -1.767906      2.901816
  C      -7.344375     -1.675020      1.464586
  C      -7.329821     -3.056561      0.803437
  C      -8.087436     -4.083794      1.644036
  C      -2.151776     -5.072138      6.579953
  C      -3.063468     -5.590035      7.723488
  C      -2.688695     -5.245932      9.164994
  C      -3.675637     -5.852732     10.160523
  C      -3.396170     -5.512503     11.610838
  Cl     -1.819577     -6.205317     12.187939
  C      -0.727288     -5.675459      6.741309
  C       0.299045     -4.899623      5.923181
  C       0.522368     -3.505786      6.540433
  C      -0.715473     -3.043830      7.324947
  C      -2.010521     -3.525776      6.664806
  H      -1.085682     -2.407332      0.850486
  H      -0.948704     -1.003375      1.866502
  H      -0.476316     -3.874344      2.812311
  H      -0.304255     -2.444940      3.817912
  H       1.264094     -2.854277      1.199876
  H       1.511796     -1.570500      2.388103
  H       2.165611     -3.376463      4.092997
  H       3.263707     -3.234124      2.687651
  H      -4.065070     -1.424242      3.749229
  H      -2.388753     -1.536101      4.310201
  H      -1.820653      0.492249      2.947552
  H      -3.164071      0.820891      4.039653
  H      -3.596351      1.714252      1.714342
  H      -4.804051      0.518965      2.214607
  H      -2.389494     -0.004788      0.389249
  H      -4.080892      0.042549     -0.108585
  H      -3.281894     -2.308164      0.170159
  H      -4.617748     -1.933712      1.258047
  H      -9.369501     -4.593382      4.150419
  H      -8.891328     -5.959123      3.164911
  H      -6.926122     -4.274074      5.535289
  H      -5.240988     -6.373563      6.143999
  H      -7.741790     -7.796377      6.110998
  H      -9.040011     -7.751957      4.892229
  H     -10.280723     -6.061951      6.269685
  H      -8.949272     -6.069643      7.472198
  H      -7.293306     -2.806292      4.753356
  H      -8.667810     -2.556638      3.712137
  H      -6.911897     -0.787629      3.402541
  H      -5.767788     -2.040074      2.885573
  H      -6.737466     -0.959686      0.886232
  H      -8.377703     -1.282450      1.475252
  H      -6.285280     -3.391042      0.689577
  H      -7.761466     -3.005569     -0.208868
  H      -8.091645     -5.058728      1.133568
  H      -9.146278     -3.782625      1.738782
  H      -4.074408     -5.205363      7.512050
  H      -3.133798     -6.689703      7.640140
  H      -1.678346     -5.605273      9.410864
  H      -2.675842     -4.151470      9.300664
  H      -3.706712     -6.947231     10.039885
  H      -4.695859     -5.489070      9.942385
  H      -3.317572     -4.430266     11.770451
  H      -4.160802     -5.921920     12.280056
  H      -0.724502     -6.742105      6.490002
  H      -0.448174     -5.627786      7.804676
  H      -0.081930     -4.802665      4.895334
  H       1.250108     -5.445736      5.848846
  H       1.396442     -3.521505      7.211103
  H       0.753426     -2.777741      5.748358
  H      -0.730385     -1.946691      7.409659
  H      -0.662975     -3.424204      8.355625
  H      -2.868629     -3.108925      7.212298
  H      -2.043296     -3.135245      5.635322
  N      -4.781345     -2.783317      5.522945
  H      -3.973403     -2.203452      5.754059
  H      -5.072361     -3.271669      6.378436
  H      -5.534369     -2.148180      5.246133
  N      -5.450902     -5.539826      5.604919
  N      -6.865629     -5.275206      5.721611
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.883124619526
  N      -3.109210     -3.580469      2.623353
  C      -2.749232     -4.490334      1.538926
  C      -2.542647     -5.885210      2.081666
  N      -3.738115     -6.254484      2.877683
  C      -4.875401     -6.598274      1.984393
  C      -6.167234     -6.175434      2.635833
  N      -6.115268     -4.767218      3.025254
  Mo     -4.286068     -4.530456      4.131615
  N      -2.758353     -5.430252      5.259006
  C      -2.507701     -6.827959      4.914931
  C      -3.460109     -7.336649      3.844644
  H      -2.609832     -7.509972      5.782938
  H      -1.463889     -6.968770      4.562172
  H      -4.425803     -7.617127      4.283185
  H      -3.036664     -8.216830      3.324607
  H      -6.986669     -6.385036      1.923754
  H      -6.372517     -6.820758      3.523365
  H      -4.744478     -6.045505      1.044636
  H      -4.857703     -7.679584      1.759736
  H      -1.818348     -4.201346      1.021531
  H      -3.526043     -4.505803      0.742650
  H      -1.674340     -5.892182      2.751937
  H      -2.380408     -6.627316      1.279058
  C      -2.730850     -2.186595      2.267127
  C      -1.222426     -2.062437      1.893562
  C      -0.236860     -2.801825      2.787987
  C       1.200043     -2.641551      2.293867
  C       2.216941     -3.512086      3.010410
  Cl      1.978881     -5.275670      2.622200
  C      -3.033003     -1.239751      3.440820
  C      -2.883172      0.252561      3.127887
  C      -3.735880      0.654853      1.920442
  C      -3.405402     -0.218539      0.709317
  C      -3.555625     -1.709172      1.036986
  C      -7.504723     -4.241292      3.092946
  C      -8.482884     -5.198534      3.876255
  C      -7.852056     -5.950143      5.012778
  C      -8.480083     -7.155448      5.637054
  C      -9.459988     -6.687677      6.705935
  Cl    -10.271659     -8.069929      7.585781
  C      -7.594428     -2.824498      3.705678
  C      -6.829292     -1.769979      2.912135
  C      -7.347683     -1.674171      1.477643
  C      -7.335573     -3.052457      0.812756
  C      -8.088651     -4.082512      1.654576
  C      -2.149634     -5.069625      6.578363
  C      -3.062281     -5.589042      7.720070
  C      -2.689319     -5.247839      9.162662
  C      -3.680203     -5.856510     10.152111
  C      -3.410464     -5.512586     11.603869
  Cl     -1.834339     -6.197440     12.196382
  C      -0.726657     -5.675524      6.740978
  C       0.304135     -4.898261      5.929150
  C       0.525447     -3.505649      6.552666
  C      -0.715424     -3.043912      7.333265
  C      -2.006084     -3.524511      6.667261
  H      -1.079024     -2.399869      0.853650
  H      -0.951682     -0.995848      1.872983
  H      -0.496658     -3.867893      2.821261
  H      -0.313520     -2.440145      3.824153
  H       1.251959     -2.858459      1.213829
  H       1.525025     -1.591364      2.413504
  H       2.137335     -3.431389      4.102886
  H       3.245190     -3.287576      2.703909
  H      -4.075788     -1.411617      3.732869
  H      -2.401701     -1.518008      4.301416
  H      -1.826190      0.502944      2.931887
  H      -3.176246      0.839031      4.013802
  H      -3.589077      1.720265      1.680101
  H      -4.803665      0.531389      2.176633
  H      -2.374909     -0.007474      0.375087
  H      -4.061931      0.040696     -0.137961
  H      -3.271436     -2.311618      0.160608
  H      -4.613794     -1.927216      1.237445
  H      -9.364784     -4.591887      4.175415
  H      -8.898303     -5.950201      3.176623
  H      -6.925778     -4.267175      5.547247
  H      -5.235245     -6.365510      6.135417
  H      -7.716410     -7.800103      6.109678
  H      -9.007947     -7.760064      4.883605
  H     -10.277334     -6.098031      6.268584
  H      -8.946198     -6.100389      7.474482
  H      -7.285918     -2.809761      4.762337
  H      -8.662948     -2.550512      3.725320
  H      -6.899822     -0.790654      3.415028
  H      -5.765196     -2.050297      2.892197
  H      -6.743301     -0.957733      0.897553
  H      -8.381034     -1.281347      1.493163
  H      -6.292312     -3.390063      0.694742
  H      -7.771589     -2.997234     -0.197220
  H      -8.088889     -5.057222      1.144127
  H      -9.148569     -3.785409      1.749051
  H      -4.071839     -5.203105      7.507865
  H      -3.132930     -6.688401      7.632225
  H      -1.680484     -5.607799      9.411488
  H      -2.676203     -4.154512      9.302687
  H      -3.706989     -6.951666     10.033919
  H      -4.699837     -5.495090      9.925563
  H      -3.338023     -4.429184     11.761183
  H      -4.177157     -5.922951     12.269159
  H      -0.725916     -6.740437      6.481099
  H      -0.450846     -5.635454      7.805857
  H      -0.072321     -4.800570      4.899134
  H       1.253956     -5.446514      5.857964
  H       1.393526     -3.526077      7.229514
  H       0.764587     -2.774061      5.764208
  H      -0.729529     -1.946331      7.419819
  H      -0.669242     -3.427309      8.364180
  H      -2.864731     -3.107320      7.213821
  H      -2.035728     -3.132721      5.637969
  N      -4.778259     -2.774028      5.521512
  H      -3.968455     -2.200238      5.760406
  H      -5.079737     -3.260844      6.372779
  H      -5.523493     -2.133521      5.237462
  N      -5.447549     -5.528610      5.602561
  N      -6.858466     -5.268112      5.729644
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.883491203908
  N      -3.111663     -3.574815      2.621352
  C      -2.746786     -4.484569      1.538856
  C      -2.541814     -5.881278      2.080397
  N      -3.736229     -6.248319      2.878553
  C      -4.874880     -6.592097      1.987156
  C      -6.165863     -6.171870      2.642954
  N      -6.116570     -4.764126      3.031532
  Mo     -4.283592     -4.521340      4.130298
  N      -2.752898     -5.424533      5.259518
  C      -2.501186     -6.821385      4.915130
  C      -3.458050     -7.328659      3.847608
  H      -2.596833     -7.504503      5.781952
  H      -1.459701     -6.960176      4.556144
  H      -4.422012     -7.602969      4.292711
  H      -3.041399     -8.212288      3.328087
  H      -6.985256     -6.384516      1.932754
  H      -6.368492     -6.818576      3.528860
  H      -4.748281     -6.035338      1.049286
  H      -4.853723     -7.672895      1.759455
  H      -1.815098     -4.192770      1.024694
  H      -3.520296     -4.501705      0.737954
  H      -1.671104     -5.892094      2.748905
  H      -2.383861     -6.623934      1.277738
  C      -2.733503     -2.181442      2.265955
  C      -1.223142     -2.059658      1.898163
  C      -0.249288     -2.809885      2.796828
  C       1.192046     -2.668889      2.311664
  C       2.183275     -3.585138      3.007674
  Cl      1.907630     -5.328851      2.564990
  C      -3.038738     -1.233038      3.438165
  C      -2.886250      0.258855      3.123380
  C      -3.729906      0.660505      1.910820
  C      -3.396779     -0.215637      0.702360
  C      -3.553725     -1.704350      1.031931
  C      -7.506059     -4.237707      3.102023
  C      -8.484955     -5.189046      3.890974
  C      -7.840304     -5.947294      5.015888
  C      -8.457355     -7.168318      5.621655
  C      -9.456266     -6.735690      6.686583
  Cl    -10.236361     -8.149434      7.543287
  C      -7.583646     -2.819176      3.712086
  C      -6.818024     -1.770766      2.912925
  C      -7.353207     -1.672591      1.486278
  C      -7.348177     -3.047447      0.818040
  C      -8.091767     -4.080165      1.664325
  C      -2.144379     -5.058150      6.576371
  C      -3.056575     -5.581129      7.718165
  C      -2.686791     -5.240409      9.162419
  C      -3.680873     -5.855775     10.147191
  C      -3.426476     -5.509463     11.601718
  Cl     -1.851027     -6.182069     12.205898
  C      -0.719036     -5.659975      6.741182
  C       0.313380     -4.881975      5.932859
  C       0.529276     -3.487908      6.556008
  C      -0.716820     -3.026253      7.328675
  C      -2.003560     -3.512807      6.660577
  H      -1.073112     -2.393369      0.857656
  H      -0.952572     -0.992673      1.887399
  H      -0.523023     -3.873678      2.824254
  H      -0.325741     -2.452197      3.834980
  H       1.237420     -2.859495      1.225541
  H       1.544017     -1.631192      2.458959
  H       2.095313     -3.538362      4.099998
  H       3.217918     -3.375590      2.715068
  H      -4.081478     -1.407284      3.727941
  H      -2.407931     -1.509691      4.299290
  H      -1.829778      0.509874      2.932071
  H      -3.183471      0.846776      4.006692
  H      -3.576756      1.724779      1.670589
  H      -4.799210      0.543987      2.159465
  H      -2.364861     -0.007335      0.373447
  H      -4.048156      0.043568     -0.147724
  H      -3.271561     -2.310451      0.158008
  H      -4.612719     -1.917267      1.233269
  H      -9.358747     -4.579102      4.208169
  H      -8.914881     -5.930661      3.191703
  H      -6.928844     -4.260924      5.563625
  H      -5.223562     -6.353164      6.130426
  H      -7.689977     -7.808342      6.093611
  H      -8.969608     -7.770549      4.856398
  H     -10.289853     -6.166200      6.253027
  H      -8.962813     -6.143010      7.464105
  H      -7.265822     -2.808284      4.765763
  H      -8.649690     -2.537078      3.739706
  H      -6.873770     -0.791404      3.416641
  H      -5.757772     -2.063096      2.881415
  H      -6.756250     -0.955157      0.901354
  H      -8.384721     -1.280160      1.513147
  H      -6.307949     -3.388335      0.690158
  H      -7.794675     -2.987851     -0.186441
  H      -8.091062     -5.055025      1.154752
  H      -9.152065     -3.786783      1.761338
  H      -4.066968     -5.198486      7.506202
  H      -3.122778     -6.680986      7.626859
  H      -1.677558     -5.598424      9.413813
  H      -2.676844     -4.146672      9.307979
  H      -3.699031     -6.951967     10.030917
  H      -4.700303     -5.500495      9.912658
  H      -3.364154     -4.424045     11.758237
  H      -4.195308     -5.926213     12.264423
  H      -0.716721     -6.723530      6.477007
  H      -0.444899     -5.622800      7.806069
  H      -0.059713     -4.790123      4.900907
  H       1.263932     -5.430425      5.868320
  H       1.391747     -3.509200      7.240369
  H       0.776079     -2.756062      5.769728
  H      -0.733124     -1.928607      7.409635
  H      -0.674728     -3.405759      8.361321
  H      -2.863600     -3.094598      7.205076
  H      -2.033033     -3.125050      5.629225
  N      -4.778563     -2.765729      5.516417
  H      -3.965347     -2.196814      5.757207
  H      -5.084288     -3.253658      6.367400
  H      -5.519697     -2.121718      5.229497
  N      -5.440682     -5.513448      5.603329
  N      -6.852269     -5.261953      5.737878
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.883755530032
  N      -3.116273     -3.570378      2.620926
  C      -2.748861     -4.479354      1.537768
  C      -2.545458     -5.877369      2.078384
  N      -3.739338     -6.243147      2.877243
  C      -4.878774     -6.585563      1.987071
  C      -6.168251     -6.167731      2.647531
  N      -6.120775     -4.759579      3.036041
  Mo     -4.284008     -4.515123      4.130104
  N      -2.752376     -5.423746      5.258939
  C      -2.500057     -6.820046      4.912005
  C      -3.461353     -7.323972      3.845880
  H      -2.592092     -7.505313      5.778388
  H      -1.459683     -6.956919      4.547288
  H      -4.424579     -7.595673      4.295124
  H      -3.048679     -8.208874      3.325049
  H      -6.988019     -6.383921      1.939313
  H      -6.365400     -6.815767      3.533277
  H      -4.755271     -6.024661      1.051085
  H      -4.856109     -7.665288      1.754851
  H      -1.815331     -4.187187      1.027489
  H      -3.519885     -4.497299      0.734585
  H      -1.673117     -5.892381      2.744485
  H      -2.390565     -6.619299      1.274467
  C      -2.733836     -2.177323      2.267066
  C      -1.219576     -2.059428      1.907985
  C      -0.254246     -2.813915      2.812864
  C       1.191597     -2.684495      2.334719
  C       2.164586     -3.635822      3.007883
  Cl      1.863403     -5.360269      2.515543
  C      -3.044279     -1.229851      3.438428
  C      -2.889118      0.262085      3.125709
  C      -3.720332      0.665974      1.905762
  C      -3.380844     -0.210960      0.699613
  C      -3.545574     -1.698209      1.028243
  C      -7.510543     -4.234891      3.109151
  C      -8.487236     -5.184806      3.903167
  C      -7.833088     -5.945780      5.019252
  C      -8.442451     -7.180459      5.604892
  C      -9.464316     -6.778316      6.661266
  Cl    -10.216122     -8.220045      7.499182
  C      -7.583108     -2.814999      3.715502
  C      -6.817621     -1.769960      2.911723
  C      -7.362127     -1.672307      1.487901
  C      -7.361900     -3.047997      0.821221
  C      -8.099940     -4.080779      1.672519
  C      -2.141337     -5.054375      6.574140
  C      -3.050865     -5.578430      7.718001
  C      -2.678535     -5.232660      9.160372
  C      -3.671364     -5.844944     10.149361
  C      -3.423734     -5.482839     11.600336
  Cl     -1.845262     -6.139274     12.216256
  C      -0.715211     -5.655157      6.736592
  C       0.316989     -4.874415      5.929496
  C       0.532584     -3.481768      6.555975
  C      -0.716249     -3.020247      7.325379
  C      -2.001857     -3.508754      6.656151
  H      -1.062451     -2.394231      0.869034
  H      -0.947473     -0.993175      1.900100
  H      -0.535238     -3.876066      2.839072
  H      -0.332975     -2.455925      3.851028
  H       1.234817     -2.847979      1.243869
  H       1.561972     -1.657658      2.509360
  H       2.071935     -3.620830      4.099601
  H       3.203363     -3.433658      2.725446
  H      -4.088529     -1.404462      3.721818
  H      -2.417304     -1.506058      4.302250
  H      -1.831124      0.515185      2.945242
  H      -3.194809      0.848350      4.007384
  H      -3.560126      1.729614      1.668125
  H      -4.792866      0.554688      2.143571
  H      -2.346133     -0.004845      0.378102
  H      -4.025766      0.049376     -0.155122
  H      -3.262003     -2.305558      0.155723
  H      -4.606632     -1.907693      1.225507
  H      -9.353649     -4.571579      4.234485
  H      -8.928478     -5.919342      3.204932
  H      -6.935595     -4.258660      5.581393
  H      -5.215270     -6.346910      6.124592
  H      -7.674626     -7.816638      6.078472
  H      -8.937892     -7.779908      4.826307
  H     -10.308005     -6.228446      6.225316
  H      -8.994008     -6.179360      7.448085
  H      -7.259470     -2.805237      4.767795
  H      -8.648666     -2.531349      3.748035
  H      -6.865443     -0.789510      3.414451
  H      -5.759359     -2.068933      2.872913
  H      -6.769124     -0.955292      0.897929
  H      -8.393475     -1.279008      1.519997
  H      -6.322707     -3.390430      0.686354
  H      -7.816399     -2.988129     -0.180063
  H      -8.100895     -5.056845      1.165086
  H      -9.160589     -3.788563      1.773005
  H      -4.063023     -5.199549      7.508056
  H      -3.112539     -6.678324      7.628928
  H      -1.667974     -5.589172      9.412492
  H      -2.668708     -4.138403      9.302380
  H      -3.682271     -6.942442     10.045616
  H      -4.692404     -5.497650      9.906865
  H      -3.369091     -4.395469     11.743700
  H      -4.191099     -5.897578     12.265760
  H      -0.712229     -6.718061      6.467927
  H      -0.440725     -5.621713      7.801727
  H      -0.055901     -4.780905      4.897461
  H       1.267421     -5.424561      5.865107
  H       1.392191     -3.507237      7.243950
  H       0.784384     -2.747979      5.773339
  H      -0.732995     -1.922011      7.403562
  H      -0.676643     -3.397610      8.358870
  H      -2.862028     -3.090152      7.201477
  H      -2.031983     -3.123113      5.623895
  N      -4.778877     -2.761791      5.516857
  H      -3.961929     -2.199098      5.759547
  H      -5.088946     -3.249853      6.366322
  H      -5.514931     -2.112602      5.229158
  N      -5.437468     -5.503763      5.606022
  N      -6.850059     -5.259213      5.748068
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884020523545
  N      -3.119868     -3.566664      2.628314
  C      -2.753900     -4.475846      1.543097
  C      -2.547797     -5.874127      2.084182
  N      -3.741112     -6.242174      2.882133
  C      -4.879628     -6.585606      1.992716
  C      -6.168080     -6.167159      2.654467
  N      -6.120771     -4.758036      3.041342
  Mo     -4.283059     -4.512910      4.136826
  N      -2.753122     -5.427251      5.265828
  C      -2.501363     -6.823263      4.916628
  C      -3.464103     -7.323270      3.850275
  H      -2.594830     -7.509471      5.782023
  H      -1.461891     -6.959798      4.549542
  H      -4.427582     -7.593099      4.300411
  H      -3.053707     -8.209458      3.329640
  H      -6.986689     -6.385980      1.946948
  H      -6.360401     -6.815475      3.539955
  H      -4.757498     -6.024450      1.056642
  H      -4.856262     -7.664954      1.759146
  H      -1.819919     -4.184391      1.033904
  H      -3.526245     -4.496360      0.742562
  H      -1.674149     -5.890466      2.747357
  H      -2.392617     -6.614317      1.278453
  C      -2.733479     -2.173782      2.274200
  C      -1.218286     -2.055267      1.916234
  C      -0.250011     -2.809272      2.819241
  C       1.194860     -2.681283      2.332405
  C       2.166437     -3.661057      2.965187
  Cl      1.836804     -5.366808      2.437335
  C      -3.043321     -1.230226      3.447752
  C      -2.891591      0.262489      3.139414
  C      -3.718999      0.668864      1.919373
  C      -3.377764     -0.205226      0.711565
  C      -3.542237     -1.692364      1.035814
  C      -7.509696     -4.232541      3.112331
  C      -8.485886     -5.180717      3.910885
  C      -7.827642     -5.941314      5.022447
  C      -8.433890     -7.187683      5.584945
  C      -9.482725     -6.815194      6.628388
  Cl    -10.211855     -8.286544      7.437316
  C      -7.579600     -2.811580      3.713931
  C      -6.811416     -1.770580      2.906661
  C      -7.361712     -1.673715      1.484219
  C      -7.365271     -3.051486      0.820646
  C      -8.101177     -4.082537      1.675732
  C      -2.138403     -5.054753      6.579591
  C      -3.048551     -5.575335      7.724627
  C      -2.678648     -5.221909      9.165834
  C      -3.676655     -5.824656     10.156071
  C      -3.442043     -5.444878     11.604525
  Cl     -1.866106     -6.090044     12.236777
  C      -0.713734     -5.658596      6.739361
  C       0.316011     -4.885163      5.922671
  C       0.541039     -3.491611      6.540865
  C      -0.703539     -3.021634      7.312872
  C      -1.995751     -3.508992      6.653979
  H      -1.059336     -2.391762      0.877608
  H      -0.947976     -0.988535      1.907957
  H      -0.530903     -3.871995      2.847632
  H      -0.324205     -2.449533      3.857953
  H       1.227471     -2.811178      1.236639
  H       1.576899     -1.664149      2.535742
  H       2.093302     -3.674467      4.057010
  H       3.202499     -3.462921      2.671127
  H      -4.087297     -1.406579      3.730807
  H      -2.414416     -1.506032      4.309695
  H      -1.834080      0.521063      2.965393
  H      -3.202533      0.844081      4.022327
  H      -3.557609      1.733008      1.686457
  H      -4.792296      0.557030      2.152994
  H      -2.343845      0.003634      0.389998
  H      -4.023435      0.055230     -0.142211
  H      -3.257001     -2.297270      0.161962
  H      -4.603563     -1.904375      1.229796
  H      -9.345629     -4.562630      4.252313
  H      -8.936672     -5.910728      3.214798
  H      -6.943166     -4.257610      5.604779
  H      -5.210970     -6.347829      6.120634
  H      -7.669153     -7.821207      6.064210
  H      -8.909862     -7.783288      4.791053
  H     -10.330432     -6.277511      6.187776
  H      -9.036166     -6.216817      7.430095
  H      -7.254354     -2.801561      4.765926
  H      -8.645561     -2.529096      3.747684
  H      -6.851282     -0.788662      3.407439
  H      -5.755524     -2.076511      2.861339
  H      -6.772074     -0.957239      0.890163
  H      -8.393200     -1.280382      1.519298
  H      -6.326511     -3.393994      0.680290
  H      -7.826553     -2.992777     -0.178217
  H      -8.105462     -5.059873      1.170817
  H      -9.162014     -3.789850      1.778459
  H      -4.061825     -5.200371      7.513379
  H      -3.106348     -6.675518      7.640643
  H      -1.669716     -5.579941      9.422730
  H      -2.665202     -4.126372      9.301200
  H      -3.684512     -6.923175     10.065105
  H      -4.696603     -5.482736      9.901107
  H      -3.391004     -4.356379     11.736182
  H      -4.212166     -5.855164     12.268846
  H      -0.714626     -6.722489      6.476182
  H      -0.433403     -5.620626      7.802675
  H      -0.062995     -4.793499      4.892755
  H       1.264052     -5.440856      5.856935
  H       1.404320     -3.519442      7.225289
  H       0.791636     -2.760768      5.755626
  H      -0.715912     -1.922734      7.381810
  H      -0.660112     -3.390800      8.348974
  H      -2.850440     -3.086229      7.204694
  H      -2.032657     -3.128871      5.619931
  N      -4.777719     -2.762141      5.527069
  H      -3.958158     -2.201207      5.765227
  H      -5.086317     -3.247901      6.378632
  H      -5.512938     -2.111823      5.240004
  N      -5.434421     -5.498275      5.614237
  N      -6.849182     -5.257768      5.762664
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884154596372
  N      -3.138724     -3.552107      2.622631
  C      -2.785807     -4.461870      1.531407
  C      -2.563518     -5.857101      2.074537
  N      -3.747861     -6.232001      2.882741
  C      -4.890458     -6.588808      2.004452
  C      -6.175142     -6.168917      2.672736
  N      -6.127385     -4.757511      3.049895
  Mo     -4.286296     -4.500142      4.138957
  N      -2.751483     -5.407917      5.266220
  C      -2.491489     -6.801277      4.910801
  C      -3.457813     -7.308342      3.852240
  H      -2.575109     -7.488589      5.776609
  H      -1.453987     -6.928374      4.534739
  H      -4.417577     -7.583397      4.308007
  H      -3.044305     -8.193852      3.332681
  H      -6.998948     -6.394297      1.973829
  H      -6.355376     -6.811929      3.564319
  H      -4.777811     -6.037431      1.061449
  H      -4.864924     -7.669831      1.780575
  H      -1.860196     -4.168418      1.008696
  H      -3.572306     -4.489519      0.747018
  H      -1.683310     -5.866145      2.728009
  H      -2.409239     -6.596937      1.267805
  C      -2.737400     -2.161554      2.272256
  C      -1.219059     -2.057145      1.926934
  C      -0.276538     -2.834475      2.836721
  C       1.178885     -2.740359      2.371407
  C       2.103489     -3.773236      2.985484
  Cl      1.719301     -5.449377      2.397827
  C      -3.043172     -1.218967      3.446812
  C      -2.879136      0.273586      3.143475
  C      -3.695645      0.690945      1.919613
  C      -3.354126     -0.183759      0.712013
  C      -3.534478     -1.670453      1.031699
  C      -7.515141     -4.231409      3.114594
  C      -8.493127     -5.179643      3.917410
  C      -7.823847     -5.946102      5.015235
  C      -8.411622     -7.211276      5.551442
  C      -9.483427     -6.880127      6.587597
  Cl    -10.175981     -8.387686      7.368636
  C      -7.587218     -2.809543      3.711096
  C      -6.812374     -1.772817      2.903716
  C      -7.357592     -1.678676      1.477517
  C      -7.361619     -3.060632      0.820272
  C      -8.103670     -4.086857      1.676311
  C      -2.130421     -5.038075      6.579092
  C      -3.032538     -5.565782      7.726180
  C      -2.659751     -5.212400      9.166427
  C      -3.652171     -5.817773     10.158947
  C      -3.423671     -5.426153     11.604699
  Cl     -1.837036     -6.045887     12.239795
  C      -0.703479     -5.636815      6.727815
  C       0.319422     -4.853737      5.911809
  C       0.545644     -3.465367      6.540312
  C      -0.700319     -3.003533      7.317675
  C      -1.993587     -3.491947      6.658029
  H      -1.053605     -2.388198      0.887507
  H      -0.930962     -0.994918      1.928738
  H      -0.581718     -3.890237      2.861042
  H      -0.356274     -2.472226      3.874001
  H       1.227099     -2.834215      1.273522
  H       1.593138     -1.745214      2.614515
  H       2.014230     -3.820134      4.077634
  H       3.150808     -3.600594      2.711555
  H      -4.090564     -1.385364      3.725091
  H      -2.419262     -1.501429      4.310310
  H      -1.817694      0.525978      2.980215
  H      -3.193147      0.853895      4.026424
  H      -3.524225      1.754933      1.691167
  H      -4.772197      0.585688      2.145890
  H      -2.316271      0.016983      0.395801
  H      -3.993705      0.084082     -0.144797
  H      -3.249019     -2.275863      0.157575
  H      -4.599520     -1.873961      1.217026
  H      -9.341763     -4.554267      4.271965
  H      -8.957221     -5.902849      3.223559
  H      -6.956126     -4.263080      5.614866
  H      -5.193848     -6.327078      6.135338
  H      -7.640953     -7.836689      6.031375
  H      -8.864952     -7.804119      4.742075
  H     -10.338955     -6.356669      6.145715
  H      -9.061627     -6.283312      7.403868
  H      -7.268651     -2.796791      4.765400
  H      -8.654251     -2.529502      3.738335
  H      -6.850192     -0.788808      3.400933
  H      -5.756846     -2.082715      2.860336
  H      -6.765382     -0.964635      0.881712
  H      -8.390039     -1.283815      1.507663
  H      -6.321575     -3.402371      0.682831
  H      -7.821489     -3.005841     -0.180177
  H      -8.110069     -5.066250      1.175099
  H      -9.164585     -3.791365      1.776228
  H      -4.048436     -5.195209      7.520662
  H      -3.082900     -6.665887      7.642232
  H      -1.649258     -5.566570      9.420139
  H      -2.649332     -4.117362      9.300078
  H      -3.649048     -6.915930     10.074303
  H      -4.674974     -5.488377      9.899182
  H      -3.387435     -4.336518     11.730708
  H      -4.187850     -5.844522     12.269463
  H      -0.699372     -6.699248      6.458757
  H      -0.418813     -5.603243      7.790351
  H      -0.065157     -4.752866      4.885489
  H       1.267664     -5.407866      5.836840
  H       1.410152     -3.497436      7.222896
  H       0.793878     -2.726370      5.761794
  H      -0.716205     -1.904693      7.391869
  H      -0.653744     -3.376356      8.351804
  H      -2.848832     -3.074291      7.211370
  H      -2.031505     -3.109832      5.625208
  N      -4.784325     -2.748012      5.526468
  H      -3.966630     -2.182355      5.759407
  H      -5.087732     -3.233204      6.379826
  H      -5.523810     -2.101864      5.240494
  N      -5.431176     -5.483505      5.625157
  N      -6.851867     -5.263111      5.761188
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884329764875
  N      -3.133349     -3.551236      2.632224
  C      -2.769855     -4.460093      1.543088
  C      -2.555591     -5.857569      2.082397
  N      -3.745962     -6.234988      2.880275
  C      -4.883648     -6.582051      1.992487
  C      -6.170989     -6.163847      2.655492
  N      -6.122488     -4.756618      3.044185
  Mo     -4.284285     -4.506888      4.142957
  N      -2.752977     -5.422337      5.266578
  C      -2.501784     -6.817236      4.912087
  C      -3.464110     -7.317026      3.845658
  H      -2.599387     -7.504619      5.777223
  H      -1.461863     -6.953310      4.545674
  H      -4.427966     -7.593792      4.292463
  H      -3.048789     -8.200902      3.324710
  H      -6.992584     -6.380623      1.951771
  H      -6.355865     -6.812548      3.541528
  H      -4.762987     -6.025129      1.053940
  H      -4.861409     -7.661477      1.760948
  H      -1.837156     -4.167880      1.032233
  H      -3.548133     -4.482076      0.752013
  H      -1.680454     -5.870722      2.741540
  H      -2.396090     -6.592891      1.272340
  C      -2.736825     -2.160022      2.279440
  C      -1.220656     -2.051792      1.928852
  C      -0.263450     -2.818307      2.832942
  C       1.186888     -2.707937      2.351391
  C       2.129034     -3.742769      2.934477
  Cl      1.732929     -5.413492      2.341443
  C      -3.044739     -1.218810      3.454728
  C      -2.886974      0.274670      3.151786
  C      -3.707931      0.690084      1.929794
  C      -3.366993     -0.183901      0.721261
  C      -3.538759     -1.672055      1.041166
  C      -7.509446     -4.231948      3.115929
  C      -8.483726     -5.183869      3.922960
  C      -7.819319     -5.943998      5.026292
  C      -8.413086     -7.211730      5.548752
  C      -9.504973     -6.892849      6.569577
  Cl    -10.194372     -8.412352      7.330923
  C      -7.581788     -2.811531      3.716065
  C      -6.812793     -1.772931      2.905232
  C      -7.362241     -1.678122      1.480609
  C      -7.368141     -3.060475      0.822704
  C      -8.107766     -4.085780      1.681749
  C      -2.133087     -5.054041      6.582025
  C      -3.042218     -5.565659      7.729160
  C      -2.667236     -5.198974      9.165428
  C      -3.663948     -5.781343     10.167464
  C      -3.434019     -5.364735     11.605072
  Cl     -1.850015     -5.979504     12.253164
  C      -0.714100     -5.666381      6.740651
  C       0.319946     -4.898772      5.923179
  C       0.558203     -3.508044      6.546207
  C      -0.685130     -3.028626      7.315993
  C      -1.982161     -3.508016      6.655958
  H      -1.061628     -2.389600      0.890494
  H      -0.936741     -0.988355      1.920940
  H      -0.557855     -3.876778      2.862502
  H      -0.337927     -2.453702      3.869933
  H       1.224965     -2.783003      1.252316
  H       1.596965     -1.714258      2.607049
  H       2.069283     -3.800873      4.026997
  H       3.169750     -3.564265      2.637829
  H      -4.091759     -1.387728      3.734941
  H      -2.418978     -1.499179      4.317799
  H      -1.825867      0.529882      2.988290
  H      -3.202145      0.853467      4.035464
  H      -3.540472      1.754388      1.700175
  H      -4.783352      0.580864      2.159678
  H      -2.331151      0.020506      0.399987
  H      -4.011309      0.081393     -0.133167
  H      -3.250196     -2.274912      0.166107
  H      -4.602918     -1.881707      1.224939
  H      -9.331809     -4.556633      4.274989
  H      -8.947194     -5.910819      3.232287
  H      -6.963588     -4.266795      5.636321
  H      -5.195733     -6.348444      6.119597
  H      -7.648306     -7.836008      6.040627
  H      -8.848582     -7.805294      4.728259
  H     -10.355522     -6.374693      6.114123
  H      -9.105486     -6.296487      7.398077
  H      -7.257244     -2.799211      4.768352
  H      -8.649305     -2.534267      3.749440
  H      -6.850872     -0.789072      3.402957
  H      -5.756446     -2.079381      2.857114
  H      -6.772281     -0.963589      0.883263
  H      -8.395193     -1.284435      1.515252
  H      -6.327933     -3.399068      0.679948
  H      -7.832059     -3.006715     -0.176068
  H      -8.119137     -5.064488      1.179203
  H      -9.167302     -3.788561      1.789009
  H      -4.056197     -5.191916      7.517524
  H      -3.099123     -6.666410      7.656537
  H      -1.658888     -5.559081      9.422601
  H      -2.646988     -4.102118      9.282758
  H      -3.666789     -6.880906     10.102212
  H      -4.685095     -5.451551      9.901069
  H      -3.393001     -4.273903     11.711370
  H      -4.200234     -5.767983     12.275613
  H      -0.719849     -6.731845      6.481996
  H      -0.433348     -5.624875      7.804181
  H      -0.060460     -4.798870      4.895571
  H       1.262761     -5.461827      5.853903
  H       1.419555     -3.544129      7.231545
  H       0.815895     -2.775164      5.766639
  H      -0.689464     -1.928894      7.384003
  H      -0.646176     -3.394369      8.352606
  H      -2.834023     -3.080693      7.207144
  H      -2.015475     -3.129814      5.622151
  N      -4.779545     -2.759818      5.538581
  H      -3.960180     -2.195137      5.766516
  H      -5.080175     -3.240693      6.393791
  H      -5.518458     -2.112424      5.254876
  N      -5.429661     -5.491444      5.628299
  N      -6.851723     -5.265771      5.782536
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884464658358
  N      -3.134770     -3.551406      2.635314
  C      -2.784324     -4.462134      1.543730
  C      -2.561518     -5.857672      2.084291
  N      -3.747343     -6.238609      2.887402
  C      -4.886272     -6.594407      2.004266
  C      -6.172555     -6.170305      2.666051
  N      -6.120588     -4.760738      3.045566
  Mo     -4.284361     -4.507405      4.146854
  N      -2.754570     -5.415445      5.272726
  C      -2.497282     -6.809339      4.918962
  C      -3.458725     -7.316385      3.855860
  H      -2.588947     -7.496287      5.784669
  H      -1.457265     -6.940030      4.551518
  H      -4.420634     -7.595686      4.304483
  H      -3.041161     -8.200229      3.336990
  H      -6.996979     -6.389173      1.965562
  H      -6.358206     -6.812884      3.557247
  H      -4.767034     -6.048242      1.059272
  H      -4.864201     -7.676695      1.785071
  H      -1.859400     -4.169383      1.018874
  H      -3.574188     -4.485549      0.762698
  H      -1.683974     -5.863517      2.741714
  H      -2.400687     -6.594179      1.275773
  C      -2.735016     -2.161255      2.284132
  C      -1.220335     -2.053145      1.929122
  C      -0.258668     -2.821376      2.826280
  C       1.187259     -2.709347      2.335973
  C       2.136617     -3.743920      2.911487
  Cl      1.729412     -5.418822      2.336645
  C      -3.038948     -1.219148      3.460670
  C      -2.879209      0.274142      3.157187
  C      -3.706060      0.689418      1.938793
  C      -3.368493     -0.182673      0.728136
  C      -3.538876     -1.671444      1.047204
  C      -7.506326     -4.231625      3.111245
  C      -8.485684     -5.180578      3.915755
  C      -7.821957     -5.944422      5.018530
  C      -8.412482     -7.213619      5.541710
  C      -9.500015     -6.897314      6.566043
  Cl    -10.198110     -8.418340      7.313316
  C      -7.580343     -2.811307      3.712541
  C      -6.809282     -1.772776      2.905108
  C      -7.353977     -1.677951      1.479727
  C      -7.355311     -3.058758      0.819828
  C      -8.098218     -4.084361      1.674789
  C      -2.135671     -5.046819      6.587285
  C      -3.045642     -5.559162      7.733808
  C      -2.674231     -5.195989      9.172448
  C      -3.672128     -5.785824     10.169778
  C      -3.441477     -5.382328     11.612013
  Cl     -1.860717     -6.005830     12.254538
  C      -0.715953     -5.658246      6.745088
  C       0.313241     -4.895396      5.918411
  C       0.554023     -3.502461      6.532692
  C      -0.683855     -3.020428      7.308954
  C      -1.984499     -3.500677      6.658424
  H      -1.065333     -2.386474      0.888710
  H      -0.936681     -0.989841      1.923004
  H      -0.553020     -3.879303      2.854899
  H      -0.327586     -2.459094      3.863962
  H       1.218540     -2.782159      1.235770
  H       1.597171     -1.715137      2.590710
  H       2.094787     -3.792721      4.005003
  H       3.171962     -3.571106      2.596795
  H      -4.084870     -1.386425      3.744538
  H      -2.411227     -1.501740      4.321778
  H      -1.818759      0.525907      2.987211
  H      -3.188546      0.854428      4.041830
  H      -3.542288      1.753915      1.708488
  H      -4.779494      0.577427      2.174237
  H      -2.333803      0.021572      0.404435
  H      -4.014862      0.083905     -0.124094
  H      -3.250731     -2.273456      0.171704
  H      -4.602366     -1.880104      1.230936
  H      -9.334483     -4.552970      4.265071
  H      -8.947995     -5.907766      3.223876
  H      -6.967577     -4.266099      5.635204
  H      -5.203256     -6.348115      6.122506
  H      -7.644982     -7.836433      6.032885
  H      -8.847025     -7.807153      4.721314
  H     -10.349099     -6.369049      6.115748
  H      -9.095317     -6.310770      7.398895
  H      -7.261633     -2.799350      4.766216
  H      -8.647385     -2.532144      3.740442
  H      -6.849510     -0.789302      3.402976
  H      -5.752645     -2.078049      2.861306
  H      -6.762593     -0.962588      0.886172
  H      -8.386715     -1.286242      1.511573
  H      -6.314684     -3.396712      0.683239
  H      -7.812602     -3.004637     -0.181416
  H      -8.105934     -5.062438      1.171323
  H      -9.157829     -3.787406      1.776099
  H      -4.059169     -5.184933      7.520897
  H      -3.103229     -6.660260      7.658728
  H      -1.665681     -5.554932      9.429238
  H      -2.656853     -4.098825      9.294501
  H      -3.676196     -6.885462     10.093946
  H      -4.693298     -5.452746      9.908303
  H      -3.397941     -4.292864     11.730117
  H      -4.208689     -5.790127     12.279330
  H      -0.722475     -6.724836      6.493827
  H      -0.430568     -5.609874      7.806833
  H      -0.074558     -4.799865      4.892582
  H       1.256718     -5.457201      5.845751
  H       1.420538     -3.534262      7.212203
  H       0.804705     -2.773269      5.746845
  H      -0.687986     -1.921345      7.374050
  H      -0.637643     -3.384332      8.346520
  H      -2.833773     -3.072765      7.211818
  H      -2.023302     -3.123067      5.624147
  N      -4.780156     -2.756835      5.540897
  H      -3.964188     -2.186302      5.767343
  H      -5.078570     -3.235997      6.398191
  H      -5.522732     -2.114365      5.254702
  N      -5.433966     -5.490903      5.630214
  N      -6.855289     -5.266840      5.778344
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884591226212
  N      -3.138919     -3.547069      2.633959
  C      -2.792439     -4.459030      1.542405
  C      -2.565876     -5.853882      2.082465
  N      -3.749504     -6.237867      2.887291
  C      -4.888453     -6.597906      2.005769
  C      -6.174370     -6.171987      2.666893
  N      -6.120546     -4.762767      3.045335
  Mo     -4.285842     -4.505792      4.146630
  N      -2.754432     -5.407896      5.271175
  C      -2.496127     -6.802028      4.918808
  C      -3.456301     -7.313275      3.856941
  H      -2.586316     -7.487594      5.785013
  H      -1.456111     -6.932261      4.552331
  H      -4.416856     -7.595505      4.305763
  H      -3.036213     -8.196010      3.338360
  H      -7.001327     -6.389498      1.968394
  H      -6.360968     -6.812759      3.559522
  H      -4.769080     -6.057698      1.057613
  H      -4.866408     -7.681547      1.793682
  H      -1.871566     -4.164883      1.011357
  H      -3.587352     -4.482546      0.765852
  H      -1.688442     -5.854844      2.740809
  H      -2.402692     -6.590660      1.274903
  C      -2.736828     -2.158149      2.283307
  C      -1.222448     -2.054956      1.928394
  C      -0.265799     -2.829004      2.825834
  C       1.181968     -2.721994      2.342079
  C       2.123265     -3.763594      2.916923
  Cl      1.705784     -5.436465      2.340198
  C      -3.038249     -1.213130      3.458799
  C      -2.870264      0.279063      3.152670
  C      -3.698901      0.695411      1.935511
  C      -3.365316     -0.178378      0.725213
  C      -3.540184     -1.666892      1.045864
  C      -7.505123     -4.232286      3.113382
  C      -8.485125     -5.179578      3.919155
  C      -7.819178     -5.946482      5.018757
  C      -8.403194     -7.221601      5.535771
  C      -9.494912     -6.917851      6.557652
  Cl    -10.195006     -8.446810      7.286166
  C      -7.576698     -2.811948      3.716349
  C      -6.805999     -1.773804      2.908539
  C      -7.349826     -1.678491      1.483503
  C      -7.352528     -3.058896      0.822960
  C      -8.097784     -4.082942      1.677835
  C      -2.136612     -5.040751      6.586340
  C      -3.048013     -5.552543      7.732453
  C      -2.676222     -5.191160      9.172003
  C      -3.673366     -5.782167     10.168694
  C      -3.439015     -5.384025     11.612478
  Cl     -1.855453     -6.006389     12.249169
  C      -0.716711     -5.652820      6.745422
  C       0.312786     -4.891876      5.917057
  C       0.554460     -3.498692      6.531165
  C      -0.682378     -3.015767      7.308920
  C      -1.983147     -3.494431      6.658459
  H      -1.069058     -2.386031      0.887024
  H      -0.934224     -0.992684      1.924512
  H      -0.566028     -3.885388      2.850834
  H      -0.336766     -2.468917      3.864279
  H       1.218184     -2.788382      1.241893
  H       1.596967     -1.732252      2.604150
  H       2.080699     -3.812848      4.011101
  H       3.159578     -3.597088      2.601252
  H      -4.084885     -1.375419      3.742857
  H      -2.412471     -1.498253      4.320478
  H      -1.809090      0.523081      2.977902
  H      -3.173578      0.863287      4.036552
  H      -3.534063      1.759327      1.702805
  H      -4.771635      0.585391      2.174647
  H      -2.329825      0.021236      0.401259
  H      -4.010807      0.090386     -0.126780
  H      -3.253646     -2.270394      0.171003
  H      -4.604332     -1.870971      1.229840
  H      -9.332443     -4.550774      4.268508
  H      -8.948733     -5.906306      3.227554
  H      -6.971705     -4.269209      5.641858
  H      -5.199902     -6.348783      6.123085
  H      -7.631665     -7.839763      6.027518
  H      -8.829101     -7.815855      4.711576
  H     -10.343610     -6.387350      6.107675
  H      -9.096788     -6.338373      7.398002
  H      -7.257950     -2.800997      4.769749
  H      -8.642783     -2.529397      3.744618
  H      -6.846948     -0.790227      3.406093
  H      -5.749078     -2.077825      2.866333
  H      -6.755784     -0.964372      0.890879
  H      -8.381580     -1.284821      1.515256
  H      -6.312264     -3.398896      0.688962
  H      -7.806124     -3.004118     -0.179413
  H      -8.107214     -5.060912      1.173789
  H      -9.156206     -3.782837      1.778916
  H      -4.060436     -5.175916      7.518955
  H      -3.108955     -6.653748      7.656057
  H      -1.668507     -5.551026      9.427557
  H      -2.658281     -4.094329      9.295631
  H      -3.679318     -6.881484     10.088728
  H      -4.694187     -5.446947      9.911714
  H      -3.397640     -4.294003     11.735605
  H      -4.204588     -5.795962     12.280746
  H      -0.723733     -6.720389      6.498058
  H      -0.431772     -5.600987      7.807052
  H      -0.077042     -4.796378      4.891786
  H       1.256332     -5.453210      5.842400
  H       1.421304     -3.530211      7.210167
  H       0.805323     -2.769958      5.744326
  H      -0.685538     -1.916784      7.375962
  H      -0.635898     -3.381615      8.346187
  H      -2.832965     -3.065553      7.210460
  H      -2.020711     -3.115449      5.624423
  N      -4.781750     -2.754058      5.540644
  H      -3.969057     -2.178772      5.766943
  H      -5.078793     -3.232929      6.398728
  H      -5.527201     -2.115572      5.252828
  N      -5.433384     -5.490054      5.633242
  N      -6.854773     -5.270545      5.782169
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884714306444
  N      -3.146678     -3.540732      2.631875
  C      -2.808416     -4.453891      1.538674
  C      -2.575189     -5.847748      2.077967
  N      -3.755039     -6.236574      2.886004
  C      -4.894326     -6.603111      2.007837
  C      -6.178681     -6.173853      2.669006
  N      -6.122074     -4.764293      3.044813
  Mo     -4.288283     -4.503644      4.146615
  N      -2.754750     -5.397811      5.267692
  C      -2.493502     -6.792172      4.916065
  C      -3.453676     -7.308763      3.856687
  H      -2.579614     -7.476601      5.783611
  H      -1.453470     -6.919904      4.548314
  H      -4.411571     -7.596245      4.307748
  H      -3.029904     -8.189193      3.337128
  H      -7.008820     -6.391133      1.974330
  H      -6.364519     -6.811493      3.563877
  H      -4.775314     -6.071478      1.055074
  H      -4.872172     -7.688425      1.805723
  H      -1.894291     -4.158104      0.997273
  H      -3.611711     -4.478586      0.770381
  H      -1.697319     -5.842258      2.736189
  H      -2.409219     -6.584631      1.271286
  C      -2.739710     -2.153658      2.282866
  C      -1.224348     -2.058256      1.929964
  C      -0.277016     -2.840945      2.829328
  C       1.174943     -2.743082      2.358020
  C       2.100946     -3.801049      2.926521
  Cl      1.664876     -5.465701      2.336748
  C      -3.039092     -1.207617      3.458564
  C      -2.860431      0.283519      3.152940
  C      -3.688257      0.703532      1.936138
  C      -3.357374     -0.170065      0.725212
  C      -3.539977     -1.658154      1.044505
  C      -7.505137     -4.232234      3.116499
  C      -8.484605     -5.176951      3.925077
  C      -7.814517     -5.948167      5.018520
  C      -8.386956     -7.236131      5.518987
  C      -9.492007     -6.958257      6.532879
  Cl    -10.189945     -8.504297      7.226424
  C      -7.573409     -2.812269      3.720888
  C      -6.804098     -1.773714      2.912559
  C      -7.348158     -1.678550      1.487794
  C      -7.352925     -3.058595      0.826972
  C      -8.099846     -4.081120      1.682073
  C      -2.136936     -5.031685      6.583645
  C      -3.050189     -5.539851      7.729815
  C      -2.675680     -5.175855      9.168105
  C      -3.669016     -5.767036     10.168704
  C      -3.426280     -5.369431     11.611423
  Cl     -1.839851     -5.989710     12.241284
  C      -0.718688     -5.647040      6.746071
  C       0.313806     -4.890494      5.917297
  C       0.559085     -3.497485      6.532159
  C      -0.677119     -3.009992      7.307984
  C      -1.978002     -3.485487      6.655574
  H      -1.071294     -2.387280      0.888070
  H      -0.929065     -0.997988      1.929097
  H      -0.586255     -3.894534      2.848244
  H      -0.352750     -2.484484      3.868427
  H       1.219182     -2.793167      1.257869
  H       1.600243     -1.763084      2.638045
  H       2.055839     -3.858201      4.020762
  H       3.139538     -3.644076      2.612080
  H      -4.087258     -1.364004      3.740442
  H      -2.417332     -1.497231      4.321508
  H      -1.797884      0.518999      2.975210
  H      -3.158183      0.870304      4.036916
  H      -3.521056      1.767104      1.703352
  H      -4.761083      0.595961      2.176885
  H      -2.319939      0.024051      0.403961
  H      -3.999668      0.103009     -0.127771
  H      -3.255448     -2.262228      0.169491
  H      -4.605357     -1.856111      1.227935
  H      -9.328038     -4.545415      4.276952
  H      -8.951948     -5.901771      3.234442
  H      -6.981410     -4.273978      5.659018
  H      -5.195164     -6.350615      6.121371
  H      -7.609748     -7.846258      6.011605
  H      -8.795251     -7.830002      4.685274
  H     -10.340380     -6.428204      6.082268
  H      -9.109255     -6.389638      7.388050
  H      -7.253294     -2.803920      4.773738
  H      -8.638547     -2.526453      3.750963
  H      -6.846823     -0.789943      3.409660
  H      -5.746344     -2.075153      2.871557
  H      -6.751690     -0.966066      0.895767
  H      -8.378802     -1.282463      1.519411
  H      -6.313165     -3.400920      0.695561
  H      -7.802961     -3.003284     -0.176635
  H      -8.111818     -5.058817      1.177541
  H      -9.157028     -3.777418      1.783575
  H      -4.061843     -5.161493      7.515086
  H      -3.114833     -6.641086      7.655340
  H      -1.666248     -5.534303      9.421591
  H      -2.658823     -4.078485      9.289527
  H      -3.675703     -6.866825     10.088795
  H      -4.691873     -5.431525      9.918088
  H      -3.385327     -4.279831     11.734209
  H      -4.187999     -5.780884     12.283807
  H      -0.728105     -6.716275      6.504285
  H      -0.436554     -5.590526      7.808321
  H      -0.076885     -4.794380      4.892613
  H       1.255590     -5.453506      5.841250
  H       1.424118     -3.530962      7.213024
  H       0.814845     -2.770592      5.745414
  H      -0.676589     -1.911062      7.375703
  H      -0.633180     -3.375855      8.345066
  H      -2.828508     -3.052972      7.204289
  H      -2.012316     -3.106606      5.621610
  N      -4.782684     -2.750714      5.541206
  H      -3.973840     -2.170431      5.768925
  H      -5.079733     -3.229296      6.399236
  H      -5.530447     -2.116353      5.250475
  N      -5.432844     -5.487703      5.639417
  N      -6.854911     -5.275909      5.791598
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884792034180
  N      -3.150458     -3.537381      2.632922
  C      -2.816038     -4.451041      1.538990
  C      -2.579387     -5.844476      2.077734
  N      -3.757999     -6.235584      2.886720
  C      -4.896750     -6.604501      2.009181
  C      -6.180697     -6.173997      2.669316
  N      -6.122950     -4.764289      3.045426
  Mo     -4.290104     -4.502480      4.148323
  N      -2.755611     -5.393675      5.267314
  C      -2.492996     -6.788152      4.915638
  C      -3.453508     -7.306346      3.857489
  H      -2.577300     -7.472137      5.783471
  H      -1.453150     -6.915075      4.546934
  H      -4.410127     -7.595204      4.310449
  H      -3.028873     -8.186069      3.337270
  H      -7.011155     -6.391043      1.974944
  H      -6.366803     -6.811554      3.563935
  H      -4.777041     -6.075578      1.055118
  H      -4.873968     -7.690218      1.810551
  H      -1.905506     -4.154254      0.992406
  H      -3.622728     -4.477180      0.774460
  H      -1.701587     -5.836497      2.735737
  H      -2.412223     -6.581339      1.271329
  C      -2.740549     -2.151633      2.283857
  C      -1.224444     -2.060316      1.930499
  C      -0.280104     -2.846589      2.829548
  C       1.173438     -2.750692      2.362469
  C       2.094119     -3.815421      2.925625
  Cl      1.650964     -5.475947      2.330067
  C      -3.037927     -1.205036      3.459502
  C      -2.854112      0.285371      3.154093
  C      -3.680821      0.707633      1.937332
  C      -3.351316     -0.166438      0.726422
  C      -3.539144     -1.653883      1.045154
  C      -7.505460     -4.231629      3.120131
  C      -8.483330     -5.174331      3.931436
  C      -7.811580     -5.947663      5.021896
  C      -8.376346     -7.244436      5.510511
  C      -9.494105     -6.982649      6.514486
  Cl    -10.192590     -8.538769      7.185923
  C      -7.570071     -2.811293      3.723433
  C      -6.801280     -1.773607      2.912804
  C      -7.347884     -1.679366      1.488834
  C      -7.356389     -3.060069      0.829363
  C      -8.102941     -4.081284      1.686699
  C      -2.137368     -5.027588      6.583641
  C      -3.051629     -5.533629      7.730423
  C      -2.676373     -5.168888      9.168194
  C      -3.669833     -5.756435     10.169239
  C      -3.424483     -5.359651     11.611994
  Cl     -1.834062     -5.976696     12.237730
  C      -0.719509     -5.645264      6.746219
  C       0.312992     -4.891128      5.914389
  C       0.561045     -3.497567      6.526925
  C      -0.673395     -3.007637      7.304724
  C      -1.976026     -3.481509      6.654997
  H      -1.072328     -2.389254      0.888570
  H      -0.926594     -1.000891      1.930336
  H      -0.591697     -3.899662      2.844086
  H      -0.358167     -2.493810      3.869798
  H       1.220234     -2.791948      1.262170
  H       1.602590     -1.775252      2.651729
  H       2.048333     -3.876836      4.019383
  H       3.133057     -3.661882      2.610518
  H      -4.086814     -1.358680      3.740432
  H      -2.418141     -1.496888      4.322942
  H      -1.790899      0.516819      2.974684
  H      -3.148708      0.873468      4.038268
  H      -3.511505      1.771025      1.704780
  H      -4.754063      0.602442      2.178154
  H      -2.312542      0.024442      0.407412
  H      -3.991056      0.108936     -0.127667
  H      -3.256937     -2.259005      0.169981
  H      -4.605148     -1.848210      1.229715
  H      -9.324358     -4.540722      4.285622
  H      -8.953866     -5.898095      3.241855
  H      -6.989758     -4.276137      5.674354
  H      -5.192027     -6.351449      6.121620
  H      -7.596066     -7.848355      6.005811
  H      -8.771620     -7.839044      4.671151
  H     -10.339993     -6.453745      6.059600
  H      -9.125629     -6.420396      7.379303
  H      -7.247004     -2.804595      4.775494
  H      -8.634538     -2.523250      3.756178
  H      -6.843098     -0.789157      3.408899
  H      -5.743770     -2.075224      2.870722
  H      -6.750895     -0.968688      0.895044
  H      -8.377510     -1.280707      1.521638
  H      -6.317494     -3.405057      0.697151
  H      -7.807165     -3.004879     -0.173913
  H      -8.116878     -5.059642      1.183224
  H      -9.159618     -3.775976      1.789813
  H      -4.062479     -5.153931      7.514861
  H      -3.119207     -6.634609      7.656318
  H      -1.668693     -5.528788      9.422814
  H      -2.657272     -4.072279      9.288681
  H      -3.680094     -6.855399     10.089289
  H      -4.691378     -5.418129      9.920026
  H      -3.386406     -4.268873     11.735555
  H      -4.184782     -5.773441     12.285817
  H      -0.730844     -6.715352      6.507344
  H      -0.437362     -5.586892      7.808491
  H      -0.079903     -4.795590      4.890358
  H       1.254083     -5.455650      5.836623
  H       1.427218     -3.531995      7.206509
  H       0.817107     -2.772033      5.738336
  H      -0.671271     -1.908313      7.371740
  H      -0.627973     -3.373279      8.342041
  H      -2.825226     -3.047447      7.205068
  H      -2.012550     -3.102140      5.621156
  N      -4.783151     -2.750435      5.544559
  H      -3.976856     -2.167063      5.773886
  H      -5.079867     -3.230807      6.402143
  H      -5.533119     -2.119132      5.252283
  N      -5.433025     -5.485381      5.646028
  N      -6.856387     -5.277947      5.802223
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.884912298694
  N      -3.156719     -3.533900      2.632812
  C      -2.828908     -4.447816      1.537532
  C      -2.585835     -5.840325      2.076179
  N      -3.762192     -6.233877      2.888110
  C      -4.900875     -6.606734      2.012285
  C      -6.183912     -6.174206      2.671672
  N      -6.124962     -4.763817      3.046665
  Mo     -4.293016     -4.500887      4.150971
  N      -2.757249     -5.387761      5.267142
  C      -2.491712     -6.782187      4.915155
  C      -3.452808     -7.302643      3.858910
  H      -2.572914     -7.465471      5.783341
  H      -1.452431     -6.906898      4.544464
  H      -4.407176     -7.593350      4.315497
  H      -3.027241     -8.181412      3.337839
  H      -7.014449     -6.392645      1.978386
  H      -6.368889     -6.811169      3.566197
  H      -4.781118     -6.080970      1.056540
  H      -4.876581     -7.692920      1.817941
  H      -1.924367     -4.149415      0.982245
  H      -3.640758     -4.477959      0.778977
  H      -1.706877     -5.829494      2.732019
  H      -2.418724     -6.577794      1.270303
  C      -2.742283     -2.150044      2.283684
  C      -1.225288     -2.064720      1.927306
  C      -0.283768     -2.856887      2.823713
  C       1.171350     -2.763447      2.360496
  C       2.086762     -3.834454      2.920524
  Cl      1.637360     -5.491205      2.320178
  C      -3.033836     -1.204258      3.460970
  C      -2.844045      0.285477      3.158093
  C      -3.669193      0.713449      1.942610
  C      -3.343603     -0.160462      0.730494
  C      -3.540209     -1.646753      1.046713
  C      -7.507300     -4.230399      3.124492
  C      -8.482260     -5.170977      3.938723
  C      -7.808445     -5.946980      5.024391
  C      -8.358800     -7.257098      5.495917
  C      -9.493158     -7.016980      6.486827
  Cl    -10.193950     -8.584931      7.128908
  C      -7.567024     -2.810555      3.726757
  C      -6.797120     -1.773652      2.915093
  C      -7.345665     -1.679301      1.491379
  C      -7.360150     -3.060322      0.833097
  C      -8.107234     -4.080542      1.691921
  C      -2.138450     -5.020299      6.584426
  C      -3.054227     -5.523522      7.731446
  C      -2.679494     -5.154985      9.167668
  C      -3.671205     -5.743452     10.170535
  C      -3.421496     -5.347594     11.613051
  Cl     -1.831751     -5.967870     12.234834
  C      -0.721768     -5.640688      6.750258
  C       0.312786     -4.891164      5.917251
  C       0.563806     -3.496320      6.525401
  C      -0.669888     -3.001614      7.301294
  C      -1.974306     -3.474651      6.653817
  H      -1.076041     -2.393594      0.884964
  H      -0.924017     -1.006376      1.928626
  H      -0.597397     -3.909377      2.830872
  H      -0.363875     -2.511223      3.866065
  H       1.219312     -2.798487      1.260321
  H       1.604348     -1.792143      2.657094
  H       2.037573     -3.898782      4.013542
  H       3.126752     -3.685379      2.607129
  H      -4.083275     -1.354981      3.742250
  H      -2.415243     -1.500269      4.323570
  H      -1.780143      0.512619      2.976380
  H      -3.133517      0.873759      4.043784
  H      -3.495059      1.776633      1.712309
  H      -4.743204      0.613473      2.182990
  H      -2.303175      0.025660      0.414165
  H      -3.980029      0.119574     -0.124366
  H      -3.264829     -2.253125      0.170236
  H      -4.606828     -1.834947      1.235633
  H      -9.320260     -4.536170      4.297921
  H      -8.956911     -5.892372      3.249781
  H      -7.003330     -4.278684      5.697425
  H      -5.189451     -6.350829      6.124214
  H      -7.573174     -7.850340      5.993851
  H      -8.736576     -7.852733      4.648965
  H     -10.335778     -6.488600      6.026894
  H      -9.141619     -6.462906      7.364584
  H      -7.240195     -2.808443      4.777874
  H      -8.630677     -2.519541      3.762982
  H      -6.837934     -0.788994      3.410845
  H      -5.739932     -2.076331      2.872238
  H      -6.746958     -0.971145      0.895740
  H      -8.373839     -1.275948      1.524413
  H      -6.322716     -3.410016      0.699672
  H      -7.812511     -3.003983     -0.169520
  H      -8.123078     -5.059364      1.189459
  H      -9.163748     -3.774037      1.796840
  H      -4.065517     -5.145331      7.513594
  H      -3.122302     -6.624639      7.659375
  H      -1.670010     -5.511285      9.423783
  H      -2.663767     -4.057742      9.286682
  H      -3.683108     -6.842810     10.089856
  H      -4.693934     -5.403409      9.924518
  H      -3.381091     -4.257798     11.736380
  H      -4.180832     -5.758699     12.287961
  H      -0.735722     -6.711560      6.515114
  H      -0.441946     -5.579892      7.812897
  H      -0.079940     -4.798558      4.893153
  H       1.252283     -5.458475      5.841029
  H       1.429610     -3.531637      7.205683
  H       0.823135     -2.774801      5.734528
  H      -0.665386     -1.902039      7.364799
  H      -0.624173     -3.364067      8.339262
  H      -2.822036     -3.037791      7.204500
  H      -2.013198     -3.096460      5.619987
  N      -4.784183     -2.750040      5.547793
  H      -3.981754     -2.163883      5.783352
  H      -5.083479     -3.235029      6.401877
  H      -5.535394     -2.122002      5.252357
  N      -5.434949     -5.480788      5.656696
  N      -6.859989     -5.280326      5.816856
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.885039484468
  N      -3.159801     -3.534197      2.634409
  C      -2.838171     -4.447755      1.537456
  C      -2.591055     -5.839743      2.075879
  N      -3.765910     -6.232852      2.890973
  C      -4.905034     -6.607366      2.016273
  C      -6.187295     -6.172354      2.674978
  N      -6.127195     -4.761076      3.048099
  Mo     -4.295529     -4.499891      4.154576
  N      -2.760809     -5.385724      5.269874
  C      -2.491218     -6.779161      4.915920
  C      -3.454147     -7.300639      3.861687
  H      -2.568652     -7.463005      5.784166
  H      -1.452412     -6.899960      4.542176
  H      -4.406922     -7.591330      4.322111
  H      -3.029288     -8.179687      3.340497
  H      -7.016969     -6.392846      1.981693
  H      -6.371148     -6.808874      3.569601
  H      -4.785163     -6.082466      1.059958
  H      -4.880120     -7.693661      1.823125
  H      -1.938120     -4.148904      0.975611
  H      -3.653696     -4.481412      0.783431
  H      -1.710001     -5.829499      2.728239
  H      -2.426831     -6.578005      1.270013
  C      -2.741380     -2.151745      2.285338
  C      -1.223655     -2.070178      1.926014
  C      -0.281949     -2.866572      2.817930
  C       1.173094     -2.770792      2.353457
  C       2.090107     -3.840597      2.914112
  Cl      1.645361     -5.497462      2.311321
  C      -3.028457     -1.207263      3.464403
  C      -2.838060      0.282495      3.164179
  C      -3.660784      0.715013      1.948916
  C      -3.336988     -0.158838      0.735950
  C      -3.539485     -1.643942      1.050315
  C      -7.509687     -4.226274      3.126446
  C      -8.482594     -5.165165      3.943481
  C      -7.807911     -5.943855      5.025936
  C      -8.342959     -7.266560      5.482371
  C      -9.493587     -7.043117      6.458707
  Cl    -10.195201     -8.618212      7.080522
  C      -7.566593     -2.806191      3.726141
  C      -6.797283     -1.770252      2.912319
  C      -7.349895     -1.677794      1.489727
  C      -7.367007     -3.059128      0.833022
  C      -8.111122     -4.079770      1.693893
  C      -2.139966     -5.016490      6.587104
  C      -3.054456     -5.517830      7.735872
  C      -2.678586     -5.147123      9.170550
  C      -3.669371     -5.732519     10.175096
  C      -3.415500     -5.337728     11.616991
  Cl     -1.824361     -5.961365     12.234195
  C      -0.723997     -5.638740      6.752038
  C       0.310605     -4.890323      5.917848
  C       0.563194     -3.494443      6.522906
  C      -0.669753     -2.997727      7.298907
  C      -1.975616     -3.471321      6.654748
  H      -1.077074     -2.398717      0.883230
  H      -0.920968     -1.012434      1.928751
  H      -0.593482     -3.919511      2.818224
  H      -0.362317     -2.528648      3.862318
  H       1.218982     -2.807489      1.253226
  H       1.604571     -1.798436      2.648954
  H       2.036269     -3.905739      4.006594
  H       3.130870     -3.690393      2.604651
  H      -4.077735     -1.358120      3.746824
  H      -2.409600     -1.505333      4.325940
  H      -1.773868      0.509703      2.982814
  H      -3.125986      0.869490      4.051427
  H      -3.482135      1.777884      1.721311
  H      -4.735672      0.619873      2.186955
  H      -2.295589      0.024706      0.421840
  H      -3.970588      0.124196     -0.119959
  H      -3.270878     -2.251519      0.172508
  H      -4.606117     -1.827978      1.243901
  H      -9.317844     -4.528844      4.308580
  H      -8.962336     -5.883926      3.255113
  H      -7.020488     -4.277034      5.719810
  H      -5.191508     -6.345890      6.128637
  H      -7.553077     -7.849393      5.985354
  H      -8.704472     -7.864285      4.629615
  H     -10.331429     -6.516950      5.989922
  H      -9.159304     -6.493349      7.345786
  H      -7.235576     -2.807206      4.776327
  H      -8.629957     -2.514628      3.766067
  H      -6.837043     -0.785144      3.407366
  H      -5.740611     -2.073993      2.866537
  H      -6.753562     -0.970682      0.891151
  H      -8.377331     -1.273451      1.524227
  H      -6.330592     -3.409934      0.696304
  H      -7.824078     -3.003265     -0.167818
  H      -8.125789     -5.059394      1.193180
  H      -9.168501     -3.776100      1.800415
  H      -4.066061     -5.140718      7.518235
  H      -3.122383     -6.618781      7.665206
  H      -1.669595     -5.502181      9.428515
  H      -2.663056     -4.050573      9.288151
  H      -3.685880     -6.831073     10.094310
  H      -4.690832     -5.388262      9.930387
  H      -3.373534     -4.247755     11.740078
  H      -4.174325     -5.748015     12.292950
  H      -0.739553     -6.709522      6.516209
  H      -0.444483     -5.579503      7.814982
  H      -0.082095     -4.799482      4.893477
  H       1.249213     -5.459911      5.842335
  H       1.429343     -3.530576      7.202655
  H       0.823479     -2.774860      5.730243
  H      -0.664858     -1.897739      7.359322
  H      -0.622422     -3.357827      8.337653
  H      -2.820957     -3.033727      7.208609
  H      -2.018878     -3.093751      5.621066
  N      -4.783833     -2.749882      5.550062
  H      -3.984410     -2.161271      5.790533
  H      -5.083674     -3.241118      6.401121
  H      -5.537493     -2.125117      5.253360
  N      -5.440113     -5.473050      5.667414
  N      -6.868040     -5.278482      5.830769
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.885182981295
  N      -3.164314     -3.534374      2.633660
  C      -2.846909     -4.447705      1.535806
  C      -2.596057     -5.839343      2.074207
  N      -3.769014     -6.230964      2.893592
  C      -4.909664     -6.606557      2.020695
  C      -6.190953     -6.169756      2.680451
  N      -6.129862     -4.758125      3.051431
  Mo     -4.298485     -4.497769      4.157409
  N      -2.763456     -5.384081      5.272755
  C      -2.490634     -6.776033      4.916337
  C      -3.456073     -7.298048      3.864698
  H      -2.564426     -7.460717      5.784107
  H      -1.452925     -6.892940      4.538923
  H      -4.407741     -7.586999      4.328764
  H      -3.033497     -8.178771      3.344663
  H      -7.020667     -6.392287      1.987847
  H      -6.372187     -6.805997      3.575553
  H      -4.791219     -6.081598      1.064069
  H      -4.884786     -7.692836      1.827335
  H      -1.950200     -4.148061      0.969172
  H      -3.665446     -4.485100      0.785560
  H      -1.711551     -5.830992      2.721652
  H      -2.436661     -6.578431      1.268001
  C      -2.741502     -2.153122      2.283989
  C      -1.223826     -2.075754      1.922015
  C      -0.282221     -2.878873      2.808070
  C       1.172111     -2.780970      2.340411
  C       2.092449     -3.845007      2.907943
  Cl      1.655906     -5.504659      2.309038
  C      -3.022618     -1.208175      3.463913
  C      -2.830115      0.281300      3.164128
  C      -3.649073      0.719072      1.948255
  C      -3.329273     -0.157453      0.735792
  C      -3.539844     -1.640899      1.050916
  C      -7.511964     -4.221763      3.130811
  C      -8.482442     -5.159768      3.951400
  C      -7.805753     -5.940268      5.029691
  C      -8.320653     -7.275416      5.471691
  C      -9.485494     -7.068403      6.434983
  Cl    -10.187620     -8.649490      7.039560
  C      -7.565816     -2.801971      3.729138
  C      -6.794276     -1.768824      2.914124
  C      -7.349065     -1.675972      1.491856
  C      -7.371107     -3.057779      0.836314
  C      -8.114906     -4.077481      1.699043
  C      -2.141549     -5.012883      6.590112
  C      -3.054694     -5.515682      7.739288
  C      -2.681450     -5.142855      9.173732
  C      -3.672999     -5.730226     10.177292
  C      -3.420006     -5.337550     11.620070
  Cl     -1.833173     -5.969767     12.238084
  C      -0.725103     -5.633523      6.754827
  C       0.309544     -4.884883      5.921671
  C       0.560533     -3.487728      6.523906
  C      -0.673704     -2.991195      7.298063
  C      -1.979905     -3.467731      6.655967
  H      -1.080453     -2.402104      0.877766
  H      -0.918540     -1.018586      1.928136
  H      -0.592331     -3.932365      2.801220
  H      -0.361016     -2.548625      3.855133
  H       1.215351     -2.826998      1.239874
  H       1.599855     -1.804055      2.627532
  H       2.032913     -3.906266      3.999858
  H       3.134378     -3.693466      2.604500
  H      -4.071628     -1.357789      3.748935
  H      -2.402528     -1.507653      4.324133
  H      -1.765021      0.507478      2.984846
  H      -3.117156      0.868174      4.051848
  H      -3.462369      1.780865      1.721837
  H      -4.725286      0.632257      2.183405
  H      -2.286786      0.021182      0.422152
  H      -3.960593      0.128648     -0.120926
  H      -3.278941     -2.251243      0.172666
  H      -4.606971     -1.818972      1.248495
  H      -9.313690     -4.522935      4.325414
  H      -8.969023     -5.874735      3.264175
  H      -7.035526     -4.274143      5.744848
  H      -5.190736     -6.336478      6.138283
  H      -7.526211     -7.845989      5.980621
  H      -8.665820     -7.875405      4.613735
  H     -10.318956     -6.542933      5.957026
  H      -9.166502     -6.521457      7.329779
  H      -7.232352     -2.806533      4.778757
  H      -8.628812     -2.509151      3.771511
  H      -6.830266     -0.783519      3.408875
  H      -5.738831     -2.077149      2.865775
  H      -6.752749     -0.970700      0.890415
  H      -8.375718     -1.268551      1.527179
  H      -6.335904     -3.410933      0.695176
  H      -7.833807     -3.001089     -0.162225
  H      -8.129849     -5.057920      1.199887
  H      -9.172781     -3.775329      1.807585
  H      -4.067921     -5.142562      7.521755
  H      -3.118019     -6.617134      7.669254
  H      -1.671289     -5.493708      9.434206
  H      -2.670235     -4.045789      9.291471
  H      -3.690991     -6.829042     10.094071
  H      -4.694114     -5.383728      9.931888
  H      -3.372988     -4.248635     11.744963
  H      -4.181348     -5.745553     12.293525
  H      -0.739719     -6.703563      6.517187
  H      -0.445739     -5.576006      7.817615
  H      -0.080851     -4.796727      4.896218
  H       1.248293     -5.455319      5.849842
  H       1.426509     -3.522708      7.204133
  H       0.820939     -2.769216      5.730425
  H      -0.670275     -1.891117      7.354907
  H      -0.625624     -3.348244      8.337727
  H      -2.823904     -3.030955      7.212258
  H      -2.026230     -3.091599      5.622183
  N      -4.783940     -2.748445      5.549935
  H      -3.987619     -2.158253      5.796229
  H      -5.084856     -3.247092      6.396277
  H      -5.539326     -2.126270      5.252506
  N      -5.443663     -5.462849      5.679619
  N      -6.874680     -5.275154      5.846022
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.885350710763
  N      -3.166741     -3.537748      2.634023
  C      -2.852461     -4.450902      1.535460
  C      -2.601666     -5.842937      2.073454
  N      -3.773325     -6.231086      2.896229
  C      -4.915539     -6.606253      2.024653
  C      -6.195687     -6.166311      2.685410
  N      -6.132659     -4.754262      3.052841
  Mo     -4.302407     -4.496755      4.159254
  N      -2.769276     -5.386001      5.277044
  C      -2.494312     -6.776276      4.918032
  C      -3.461915     -7.297911      3.868411
  H      -2.565613     -7.462332      5.784790
  H      -1.457638     -6.889835      4.537603
  H      -4.413645     -7.583934      4.333969
  H      -3.042307     -8.181283      3.350659
  H      -7.026080     -6.390109      1.993953
  H      -6.374450     -6.800891      3.581891
  H      -4.798090     -6.082112      1.067416
  H      -4.892777     -7.692769      1.831200
  H      -1.956780     -4.151765      0.967232
  H      -3.673040     -4.489067      0.787626
  H      -1.713948     -5.838494      2.716523
  H      -2.448008     -6.582604      1.266620
  C      -2.740618     -2.157190      2.284333
  C      -1.223658     -2.082664      1.920877
  C      -0.281406     -2.889994      2.801908
  C       1.171269     -2.789480      2.329708
  C       2.098777     -3.841128      2.910277
  Cl      1.679611     -5.507767      2.317578
  C      -3.018260     -1.211286      3.464642
  C      -2.826922      0.278190      3.163885
  C      -3.643498      0.717843      1.947383
  C      -3.326719     -0.161100      0.735597
  C      -3.540240     -1.643296      1.052969
  C      -7.513306     -4.214089      3.130347
  C      -8.484500     -5.149905      3.954558
  C      -7.806645     -5.932421      5.029881
  C      -8.299630     -7.280223      5.457802
  C      -9.475658     -7.089306      6.411129
  Cl    -10.173514     -8.675014      7.001739
  C      -7.565824     -2.793953      3.727607
  C      -6.793671     -1.763685      2.910940
  C      -7.351440     -1.671102      1.490026
  C      -7.374518     -3.052929      0.834552
  C      -8.116397     -4.072144      1.698773
  C      -2.144421     -5.013164      6.593007
  C      -3.052508     -5.517971      7.744650
  C      -2.676635     -5.143734      9.178276
  C      -3.667336     -5.729057     10.184229
  C      -3.410573     -5.337649     11.626123
  Cl     -1.826621     -5.980301     12.242428
  C      -0.726945     -5.630440      6.754108
  C       0.306962     -4.878032      5.923561
  C       0.554439     -3.480844      6.527556
  C      -0.681937     -2.987616      7.300406
  C      -1.986640     -3.467775      6.657837
  H      -1.082608     -2.406593      0.875604
  H      -0.916038     -1.026408      1.929478
  H      -0.589747     -3.943300      2.791857
  H      -0.357078     -2.563632      3.849799
  H       1.211565     -2.852917      1.229765
  H       1.591520     -1.804330      2.600034
  H       2.032917     -3.896386      4.002611
  H       3.141929     -3.682875      2.614867
  H      -4.066221     -1.361224      3.753311
  H      -2.395487     -1.509571      4.323426
  H      -1.761650      0.505623      2.987852
  H      -3.115813      0.864726      4.051332
  H      -3.451172      1.778316      1.720933
  H      -4.720058      0.636768      2.180753
  H      -2.284616      0.015063      0.419716
  H      -3.958429      0.125528     -0.120659
  H      -3.284279     -2.255650      0.174708
  H      -4.607339     -1.818309      1.252579
  H      -9.310697     -4.510924      4.337229
  H      -8.979261     -5.860603      3.269146
  H      -7.053270     -4.266520      5.769866
  H      -5.195746     -6.323534      6.148047
  H      -7.500789     -7.838435      5.973233
  H      -8.628833     -7.882289      4.594567
  H     -10.305835     -6.565879      5.925175
  H      -9.168999     -6.543691      7.311898
  H      -7.231866     -2.799979      4.777055
  H      -8.628724     -2.501243      3.771088
  H      -6.825583     -0.778028      3.405108
  H      -5.739565     -2.075943      2.858879
  H      -6.757575     -0.966063      0.886630
  H      -8.377870     -1.264537      1.527374
  H      -6.339841     -3.404628      0.688810
  H      -7.842748     -2.996311     -0.161588
  H      -8.130604     -5.053023      1.200606
  H      -9.174700     -3.772309      1.808177
  H      -4.067254     -5.147394      7.531316
  H      -3.111099     -6.619658      7.675674
  H      -1.665890     -5.493227      9.437952
  H      -2.666182     -4.046701      9.294469
  H      -3.688851     -6.827697     10.100807
  H      -4.687363     -5.379024      9.939559
  H      -3.356454     -4.249222     11.750911
  H      -4.173246     -5.742377     12.300104
  H      -0.738704     -6.699320      6.511596
  H      -0.446140     -5.576664      7.816729
  H      -0.080410     -4.789596      4.896949
  H       1.246576     -5.447627      5.854418
  H       1.419601     -3.514692      7.208559
  H       0.813943     -2.760010      5.735852
  H      -0.681399     -1.887495      7.356179
  H      -0.634521     -3.343626      8.340654
  H      -2.830538     -3.033186      7.215550
  H      -2.033280     -3.092916      5.623758
  N      -4.783916     -2.746211      5.546675
  H      -3.989991     -2.153847      5.795411
  H      -5.082467     -3.252404      6.389758
  H      -5.542366     -2.126796      5.251262
  N      -5.450801     -5.450071      5.690082
  N      -6.885369     -5.267591      5.858750
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.885547595875
  N      -3.170272     -3.540688      2.633524
  C      -2.856404     -4.454693      1.535410
  C      -2.608288     -5.847539      2.073183
  N      -3.778976     -6.232082      2.898218
  C      -4.923122     -6.605353      2.027870
  C      -6.201631     -6.162400      2.690897
  N      -6.135525     -4.750488      3.055598
  Mo     -4.307362     -4.495596      4.159976
  N      -2.774570     -5.389645      5.280814
  C      -2.499432     -6.778381      4.919436
  C      -3.470465     -7.298873      3.872299
  H      -2.567741     -7.466584      5.785317
  H      -1.463887     -6.889983      4.535053
  H      -4.423268     -7.580839      4.338611
  H      -3.055065     -8.185719      3.357063
  H      -7.034420     -6.385534      2.001861
  H      -6.377598     -6.794910      3.589047
  H      -4.806787     -6.082547      1.069801
  H      -4.904347     -7.692131      1.834551
  H      -1.959212     -4.156526      0.968878
  H      -3.677788     -4.491115      0.788090
  H      -1.717925     -5.846964      2.713184
  H      -2.459620     -6.587241      1.265478
  C      -2.741445     -2.160547      2.282359
  C      -1.225378     -2.088072      1.920098
  C      -0.282887     -2.900058      2.797067
  C       1.167945     -2.795901      2.320550
  C       2.105085     -3.829251      2.918369
  Cl      1.706803     -5.506050      2.342120
  C      -3.018484     -1.210835      3.460316
  C      -2.824487      0.277928      3.154704
  C      -3.636691      0.717070      1.934761
  C      -3.322635     -0.167317      0.726145
  C      -3.539835     -1.648156      1.049596
  C      -7.513044     -4.205960      3.133233
  C      -8.485291     -5.138206      3.962441
  C      -7.805526     -5.921748      5.034828
  C      -8.275014     -7.281935      5.447191
  C      -9.460662     -7.109669      6.391893
  Cl    -10.153481     -8.701749      6.967316
  C      -7.563568     -2.785398      3.730322
  C      -6.789513     -1.759559      2.911738
  C      -7.348794     -1.666206      1.491437
  C      -7.374985     -3.048812      0.836329
  C      -8.117692     -4.064978      1.703079
  C      -2.147459     -5.016381      6.594802
  C      -3.050209     -5.526083      7.748274
  C      -2.673093     -5.151072      9.182311
  C      -3.665525     -5.734413     10.188575
  C      -3.408590     -5.343905     11.630618
  Cl     -1.830873     -5.999407     12.249673
  C      -0.727766     -5.627854      6.750507
  C       0.304061     -4.868962      5.923214
  C       0.545894     -3.472858      6.531909
  C      -0.692922     -2.985912      7.304681
  C      -1.994968     -3.470266      6.659961
  H      -1.085242     -2.407056      0.872844
  H      -0.914682     -1.032451      1.932861
  H      -0.590911     -3.953771      2.785170
  H      -0.354811     -2.575300      3.846260
  H       1.207007     -2.880897      1.221292
  H       1.578067     -1.800223      2.569569
  H       2.036307     -3.873021      4.010774
  H       3.148213     -3.662381      2.627861
  H      -4.066087     -1.358490      3.751029
  H      -2.394491     -1.506456      4.319534
  H      -1.758012      0.503684      2.984051
  H      -3.117205      0.866885      4.039399
  H      -3.437462      1.775585      1.704770
  H      -4.714045      0.642587      2.166195
  H      -2.280475      0.004441      0.407283
  H      -3.955059      0.118308     -0.130288
  H      -3.284535     -2.263855      0.173386
  H      -4.607854     -1.819683      1.246748
  H      -9.303977     -4.495477      4.354071
  H      -8.990178     -5.844189      3.280419
  H      -7.065913     -4.257454      5.800142
  H      -5.198286     -6.308955      6.161618
  H      -7.472154     -7.828483      5.969288
  H      -8.587442     -7.883944      4.577952
  H     -10.288484     -6.586908      5.899313
  H      -9.165674     -6.566591      7.297551
  H      -7.231489     -2.791404      4.780081
  H      -8.626195     -2.491695      3.772912
  H      -6.815111     -0.773126      3.404675
  H      -5.737017     -2.077731      2.857438
  H      -6.754511     -0.962657      0.886440
  H      -8.374972     -1.258693      1.530356
  H      -6.340804     -3.400497      0.686664
  H      -7.847023     -2.991786     -0.158095
  H      -8.134576     -5.046468      1.205907
  H      -9.175152     -3.763216      1.813471
  H      -4.066785     -5.158403      7.539849
  H      -3.102613     -6.628217      7.679262
  H      -1.662279     -5.500891      9.440826
  H      -2.662333     -4.053427      9.297312
  H      -3.689521     -6.833455     10.104704
  H      -4.684361     -5.381834      9.942876
  H      -3.345116     -4.256014     11.756183
  H      -4.174883     -5.743880     12.303585
  H      -0.734526     -6.695265      6.501954
  H      -0.443869     -5.578038      7.812451
  H      -0.080549     -4.778142      4.895730
  H       1.245737     -5.435332      5.855713
  H       1.410696     -3.504686      7.213319
  H       0.802109     -2.747081      5.743661
  H      -0.696692     -1.886060      7.361495
  H      -0.646409     -3.342608      8.344966
  H      -2.840625     -3.039167      7.217118
  H      -2.039163     -3.096407      5.625304
  N      -4.782847     -2.743144      5.542937
  H      -3.989806     -2.149356      5.790706
  H      -5.076464     -3.255617      6.383999
  H      -5.544341     -2.125067      5.252512
  N      -5.455552     -5.437201      5.700998
  N      -6.893423     -5.258306      5.874244
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.885771376942
  N      -3.172367     -3.544811      2.634672
  C      -2.856505     -4.461045      1.538486
  C      -2.615232     -5.854812      2.077046
  N      -3.787005     -6.235049      2.900637
  C      -4.931437     -6.604647      2.029336
  C      -6.208403     -6.158151      2.693190
  N      -6.138078     -4.746126      3.056527
  Mo     -4.314173     -4.494507      4.159222
  N      -2.782773     -5.395090      5.285050
  C      -2.512342     -6.783798      4.923585
  C      -3.484905     -7.301678      3.877379
  H      -2.581244     -7.473105      5.788138
  H      -1.477954     -6.898937      4.537857
  H      -4.440282     -7.578102      4.341185
  H      -3.074036     -8.192258      3.364955
  H      -7.044377     -6.378505      2.007107
  H      -6.382630     -6.787827      3.592875
  H      -4.813757     -6.083747      1.070647
  H      -4.917876     -7.691823      1.836916
  H      -1.955021     -4.165529      0.977249
  H      -3.676222     -4.492391      0.788829
  H      -1.725059     -5.857149      2.717641
  H      -2.468592     -6.594437      1.269030
  C      -2.742753     -2.165121      2.281035
  C      -1.227794     -2.093899      1.920265
  C      -0.285153     -2.904761      2.797545
  C       1.163913     -2.802338      2.318196
  C       2.107863     -3.819239      2.933686
  Cl      1.726980     -5.505918      2.374175
  C      -3.021241     -1.211013      3.455604
  C      -2.825234      0.276806      3.144013
  C      -3.636055      0.711188      1.921761
  C      -3.324328     -0.177849      0.716277
  C      -3.540623     -1.657951      1.046169
  C      -7.511386     -4.195454      3.133165
  C      -8.487271     -5.121804      3.967556
  C      -7.805918     -5.906169      5.037662
  C      -8.251048     -7.280212      5.429883
  C      -9.443618     -7.135882      6.370235
  Cl    -10.119057     -8.740463      6.924674
  C      -7.558950     -2.774208      3.730484
  C      -6.783615     -1.752247      2.909733
  C      -7.345037     -1.657873      1.490909
  C      -7.373571     -3.040918      0.835448
  C      -8.117529     -4.053745      1.704330
  C      -2.151758     -5.022292      6.595723
  C      -3.046243     -5.537254      7.753200
  C      -2.662433     -5.162071      9.186698
  C      -3.654939     -5.738992     10.196866
  C      -3.393550     -5.346011     11.637042
  Cl     -1.819769     -6.012195     12.256753
  C      -0.728386     -5.626235      6.743500
  C       0.299380     -4.857686      5.919399
  C       0.534548     -3.464200      6.536525
  C      -0.706457     -2.986840      7.311719
  C      -2.004995     -3.475218      6.663150
  H      -1.087409     -2.410808      0.872821
  H      -0.914578     -1.039444      1.933098
  H      -0.595224     -3.957188      2.791752
  H      -0.353042     -2.573668      3.844681
  H       1.202825     -2.909184      1.220723
  H       1.566777     -1.798269      2.545165
  H       2.037746     -3.851738      4.027000
  H       3.150718     -3.644685      2.645847
  H      -4.068273     -1.356198      3.748249
  H      -2.395839     -1.502735      4.315323
  H      -1.758487      0.500685      2.976739
  H      -3.121687      0.868922      4.025193
  H      -3.434493      1.767926      1.686441
  H      -4.712883      0.638997      2.154457
  H      -2.283297     -0.008523      0.392726
  H      -3.959870      0.104486     -0.138838
  H      -3.281828     -2.275749      0.172511
  H      -4.609155     -1.828962      1.238904
  H      -9.296762     -4.472650      4.365981
  H      -9.002553     -5.823153      3.289742
  H      -7.079012     -4.245375      5.832893
  H      -5.203709     -6.292586      6.174302
  H      -7.442694     -7.815679      5.954887
  H      -8.545317     -7.878470      4.551458
  H     -10.274957     -6.618165      5.877702
  H      -9.158647     -6.597398      7.282323
  H      -7.230051     -2.779126      4.780617
  H      -8.621078     -2.478753      3.770902
  H      -6.802594     -0.764920      3.401150
  H      -5.732656     -2.074891      2.853535
  H      -6.750407     -0.955296      0.885663
  H      -8.370901     -1.250717      1.532491
  H      -6.339607     -3.392005      0.683622
  H      -7.846332     -2.983432     -0.158396
  H      -8.138629     -5.035261      1.207293
  H      -9.173255     -3.747383      1.814740
  H      -4.064337     -5.170214      7.552589
  H      -3.094555     -6.639484      7.684202
  H      -1.652270     -5.516627      9.440397
  H      -2.646555     -4.064123      9.298788
  H      -3.682209     -6.838268     10.116535
  H      -4.672737     -5.384259      9.952046
  H      -3.320388     -4.257875     11.759296
  H      -4.161637     -5.738722     12.313240
  H      -0.728680     -6.692057      6.488167
  H      -0.439904     -5.580471      7.804448
  H      -0.084755     -4.761922      4.892319
  H       1.244126     -5.418271      5.849904
  H       1.399686     -3.494269      7.217538
  H       0.785594     -2.730868      5.753561
  H      -0.715939     -1.887269      7.373018
  H      -0.660102     -3.347183      8.350961
  H      -2.854595     -3.048637      7.217483
  H      -2.044464     -3.101183      5.628027
  N      -4.782242     -2.737274      5.537195
  H      -3.988004     -2.144076      5.781586
  H      -5.070753     -3.253690      6.377064
  H      -5.544779     -2.118057      5.253311
  N      -5.462709     -5.423191      5.710500
  N      -6.902913     -5.246354      5.888409
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.886023442122
  N      -3.175747     -3.546398      2.636746
  C      -2.857177     -4.466673      1.543732
  C      -2.623037     -5.860492      2.084867
  N      -3.797091     -6.237950      2.904620
  C      -4.941102     -6.603892      2.031677
  C      -6.216250     -6.153520      2.695980
  N      -6.140735     -4.741025      3.059195
  Mo     -4.321952     -4.491900      4.159095
  N      -2.790954     -5.398706      5.289907
  C      -2.525357     -6.788003      4.929096
  C      -3.500599     -7.303914      3.884553
  H      -2.592445     -7.478639      5.793534
  H      -1.491731     -6.907283      4.540671
  H      -4.458444     -7.575579      4.346923
  H      -3.093725     -8.197399      3.373646
  H      -7.056207     -6.370017      2.014106
  H      -6.389065     -6.779791      3.597024
  H      -4.820670     -6.085763      1.072055
  H      -4.932651     -7.691524      1.841722
  H      -1.950780     -4.174685      0.988204
  H      -3.674118     -4.492844      0.790524
  H      -1.735198     -5.862283      2.729141
  H      -2.474141     -6.600303      1.277538
  C      -2.746148     -2.167662      2.277489
  C      -1.231499     -2.097675      1.918946
  C      -0.289514     -2.907751      2.798208
  C       1.158662     -2.808588      2.317629
  C       2.106774     -3.812590      2.946674
  Cl      1.734488     -5.507470      2.408043
  C      -3.027393     -1.207302      3.446456
  C      -2.826001      0.278812      3.126930
  C      -3.634961      0.706223      1.900823
  C      -3.324289     -0.188875      0.699941
  C      -3.540903     -1.668131      1.037561
  C      -7.509448     -4.184561      3.136461
  C      -8.488386     -5.103379      3.976623
  C      -7.804534     -5.888033      5.044349
  C      -8.223455     -7.277774      5.408983
  C      -9.424609     -7.172840      6.342424
  Cl    -10.074697     -8.798095      6.866839
  C      -7.552704     -2.762681      3.733475
  C      -6.776353     -1.743924      2.910528
  C      -7.339226     -1.649479      1.492319
  C      -7.371292     -3.033550      0.837858
  C      -8.118066     -4.042070      1.709230
  C      -2.156236     -5.027951      6.597319
  C      -3.043834     -5.547945      7.758230
  C      -2.652893     -5.174537      9.191416
  C      -3.646545     -5.743846     10.204903
  C      -3.380835     -5.347207     11.643308
  Cl     -1.811567     -6.023470     12.264118
  C      -0.729861     -5.626523      6.736437
  C       0.292961     -4.848059      5.915067
  C       0.523635     -3.458560      6.542168
  C      -0.717544     -2.990790      7.322264
  C      -2.013018     -3.480472      6.669233
  H      -1.089923     -2.412101      0.870838
  H      -0.915814     -1.043714      1.932487
  H      -0.603873     -3.959696      2.798792
  H      -0.354436     -2.569643      3.844270
  H       1.198556     -2.931484      1.221563
  H       1.558027     -1.799143      2.528158
  H       2.039828     -3.832646      4.040235
  H       3.148235     -3.634160      2.655008
  H      -4.074923     -1.347589      3.738308
  H      -2.402947     -1.495214      4.308376
  H      -1.758338      0.498068      2.961891
  H      -3.125372      0.876311      4.003408
  H      -3.432642      1.761309      1.658103
  H      -4.711628      0.635035      2.135232
  H      -2.283542     -0.022930      0.373496
  H      -3.961858      0.089216     -0.155153
  H      -3.275457     -2.288764      0.167811
  H      -4.610414     -1.838301      1.223994
  H      -9.286904     -4.445571      4.379948
  H      -9.013910     -5.800323      3.303554
  H      -7.090131     -4.233187      5.872369
  H      -5.207824     -6.274617      6.190394
  H      -7.408733     -7.804178      5.934019
  H      -8.495793     -7.866194      4.517616
  H     -10.262683     -6.662752      5.852664
  H      -9.154682     -6.643541      7.262876
  H      -7.226810     -2.766641      4.783900
  H      -8.614087     -2.464360      3.771122
  H      -6.789975     -0.755363      3.399819
  H      -5.726311     -2.069553      2.854818
  H      -6.742422     -0.948918      0.886846
  H      -8.364676     -1.241056      1.535432
  H      -6.337572     -3.386309      0.686910
  H      -7.841294     -2.975910     -0.157060
  H      -8.145139     -5.023753      1.212686
  H      -9.171347     -3.728279      1.819326
  H      -4.062522     -5.179173      7.564757
  H      -3.091480     -6.649958      7.687752
  H      -1.644393     -5.537565      9.439650
  H      -2.628462     -4.076301      9.301683
  H      -3.677132     -6.843525     10.129087
  H      -4.663630     -5.387237      9.961307
  H      -3.297585     -4.258792     11.760980
  H      -4.150978     -5.730291     12.323528
  H      -0.725478     -6.690664      6.473778
  H      -0.436859     -5.585645      7.796528
  H      -0.093666     -4.745702      4.889789
  H       1.240269     -5.402582      5.839753
  H       1.389934     -3.488597      7.221676
  H       0.769037     -2.717579      5.764726
  H      -0.731708     -1.891813      7.390480
  H      -0.669881     -3.356996      8.359322
  H      -2.867214     -3.057641      7.219019
  H      -2.046653     -3.104707      5.633995
  N      -4.779727     -2.728548      5.533809
  H      -3.981279     -2.137111      5.769061
  H      -5.059095     -3.246529      6.376500
  H      -5.544244     -2.106583      5.260417
  N      -5.469274     -5.408765      5.721381
  N      -6.911281     -5.233723      5.905377
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.886309499325
  N      -3.176652     -3.548186      2.641693
  C      -2.854298     -4.474047      1.553543
  C      -2.628984     -5.867032      2.099514
  N      -3.808715     -6.241508      2.910957
  C      -4.949376     -6.602048      2.032357
  C      -6.223896     -6.148326      2.693832
  N      -6.143131     -4.735336      3.060636
  Mo     -4.331439     -4.488762      4.159135
  N      -2.801423     -5.401542      5.295728
  C      -2.545404     -6.793455      4.938945
  C      -3.521283     -7.306504      3.894389
  H      -2.614746     -7.482635      5.803842
  H      -1.512623     -6.922780      4.551024
  H      -4.482203     -7.571600      4.353958
  H      -3.118478     -8.202759      3.385007
  H      -7.066426     -6.359511      2.014343
  H      -6.397782     -6.772675      3.594279
  H      -4.822139     -6.084606      1.073502
  H      -4.944776     -7.689712      1.843518
  H      -1.942092     -4.187415      1.004394
  H      -3.665626     -4.495375      0.794009
  H      -1.747161     -5.866035      2.751741
  H      -2.473471     -6.607853      1.294407
  C      -2.748627     -2.170949      2.275325
  C      -1.234038     -2.102074      1.915668
  C      -0.291302     -2.905768      2.799614
  C       1.155777     -2.814475      2.316935
  C       2.103953     -3.813676      2.953201
  Cl      1.729297     -5.513919      2.431596
  C      -3.029954     -1.205343      3.439604
  C      -2.825617      0.279200      3.113789
  C      -3.637967      0.698499      1.887479
  C      -3.328732     -0.200171      0.689376
  C      -3.542660     -1.679263      1.031936
  C      -7.508418     -4.173037      3.138045
  C      -8.490262     -5.083900      3.983430
  C      -7.804718     -5.866463      5.050775
  C      -8.194955     -7.273144      5.382429
  C      -9.402314     -7.220283      6.311135
  Cl    -10.009497     -8.874026      6.798224
  C      -7.544731     -2.750706      3.734150
  C      -6.767640     -1.733907      2.909001
  C      -7.332916     -1.639676      1.492011
  C      -7.369709     -3.024381      0.838902
  C      -8.119457     -4.029356      1.712088
  C      -2.162063     -5.032496      6.599798
  C      -3.043057     -5.555748      7.765125
  C      -2.642641     -5.185938      9.197047
  C      -3.636558     -5.745319     10.215202
  C      -3.363830     -5.342974     11.650883
  Cl     -1.796665     -6.026382     12.270088
  C      -0.731922     -5.626546      6.730542
  C       0.283830     -4.839226      5.908694
  C       0.511854     -3.452700      6.542305
  C      -0.727304     -2.994279      7.330492
  C      -2.021729     -3.484892      6.676252
  H      -1.092245     -2.419423      0.868952
  H      -0.918100     -1.048501      1.924550
  H      -0.609950     -3.956235      2.811837
  H      -0.353543     -2.556747      3.842372
  H       1.194853     -2.947209      1.222029
  H       1.557889     -1.804152      2.517169
  H       2.041870     -3.824214      4.047715
  H       3.143688     -3.636807      2.653451
  H      -4.077647     -1.341416      3.731823
  H      -2.405391     -1.490760      4.302235
  H      -1.758288      0.494732      2.945052
  H      -3.123556      0.881377      3.987290
  H      -3.440386      1.753014      1.638253
  H      -4.713363      0.624021      2.127114
  H      -2.288950     -0.034906      0.360115
  H      -3.969359      0.073471     -0.164556
  H      -3.271016     -2.301134      0.165041
  H      -4.612218     -1.850792      1.215062
  H      -9.279316     -4.417146      4.387498
  H      -9.022257     -5.778709      3.314621
  H      -7.103741     -4.218712      5.914043
  H      -5.213351     -6.252937      6.209544
  H      -7.370329     -7.790064      5.900946
  H      -8.444455     -7.847548      4.475266
  H     -10.254077     -6.725524      5.830403
  H      -9.149141     -6.703179      7.243011
  H      -7.219081     -2.755528      4.784019
  H      -8.604829     -2.447977      3.770611
  H      -6.777342     -0.744359      3.396502
  H      -5.718307     -2.060516      2.854150
  H      -6.734198     -0.941196      0.886231
  H      -8.357334     -1.229081      1.537151
  H      -6.336756     -3.380717      0.690536
  H      -7.835088     -2.966504     -0.157759
  H      -8.152647     -5.010940      1.215818
  H      -9.170164     -3.707824      1.822179
  H      -4.061590     -5.182816      7.578233
  H      -3.094610     -6.657228      7.692402
  H      -1.636992     -5.560895      9.439045
  H      -2.605943     -4.088075      9.306418
  H      -3.671713     -6.845030     10.145671
  H      -4.652926     -5.386227      9.974362
  H      -3.272006     -4.253662     11.761288
  H      -4.134822     -5.714760     12.337473
  H      -0.724521     -6.689285      6.462581
  H      -0.434285     -5.589336      7.789441
  H      -0.109732     -4.732818      4.886785
  H       1.233736     -5.387146      5.824230
  H       1.381649     -3.482173      7.217717
  H       0.749804     -2.706523      5.767698
  H      -0.746184     -1.895888      7.406108
  H      -0.673885     -3.366956      8.364589
  H      -2.880051     -3.065317      7.222099
  H      -2.052794     -3.106163      5.641415
  N      -4.778336     -2.716568      5.530055
  H      -3.972473     -2.135784      5.763576
  H      -5.061101     -3.232697      6.370514
  H      -5.534495     -2.083883      5.261830
  N      -5.478710     -5.392132      5.733392
  N      -6.921786     -5.218798      5.922130
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.887170931324
  N      -3.168431     -3.553480      2.650014
  C      -2.845146     -4.487382      1.568571
  C      -2.631000     -5.878810      2.122688
  N      -3.820299     -6.244432      2.925204
  C      -4.957768     -6.594122      2.038214
  C      -6.232022     -6.133270      2.694240
  N      -6.143758     -4.720805      3.068167
  Mo     -4.333495     -4.484429      4.166552
  N      -2.813832     -5.409254      5.310395
  C      -2.573113     -6.805710      4.959837
  C      -3.548740     -7.310915      3.911407
  H      -2.653627     -7.491260      5.826887
  H      -1.539787     -6.949460      4.577416
  H      -4.514427     -7.566006      4.366893
  H      -3.151774     -8.211072      3.404308
  H      -7.073639     -6.336005      2.010932
  H      -6.414081     -6.759701      3.591460
  H      -4.819831     -6.074678      1.081665
  H      -4.959545     -7.681375      1.846971
  H      -1.928369     -4.209197      1.022322
  H      -3.651425     -4.507780      0.803608
  H      -1.755593     -5.877957      2.783439
  H      -2.471244     -6.623367      1.321808
  C      -2.750947     -2.176595      2.268245
  C      -1.240724     -2.097331      1.888972
  C      -0.275809     -2.872049      2.775154
  C       1.163093     -2.769982      2.270659
  C       2.134621     -3.744067      2.909833
  Cl      1.770703     -5.461214      2.436189
  C      -3.025822     -1.202191      3.426313
  C      -2.832647      0.280554      3.086009
  C      -3.661420      0.684083      1.865005
  C      -3.359180     -0.223060      0.671648
  C      -3.560141     -1.700855      1.028198
  C      -7.509279     -4.154253      3.147542
  C      -8.494400     -5.067274      3.986676
  C      -7.810924     -5.841071      5.061048
  C      -8.142455     -7.272787      5.339854
  C      -9.346961     -7.318249      6.272872
  Cl     -9.852131     -9.025803      6.699114
  C      -7.542253     -2.735373      3.750547
  C      -6.763224     -1.714858      2.931290
  C      -7.327397     -1.612500      1.514460
  C      -7.366095     -2.993669      0.854670
  C      -8.118654     -4.002478      1.721671
  C      -2.171727     -5.045368      6.614252
  C      -3.070584     -5.538641      7.779689
  C      -2.665212     -5.174951      9.210941
  C      -3.677664     -5.702917     10.227108
  C      -3.398348     -5.301130     11.661825
  Cl     -1.851112     -6.021893     12.288390
  C      -0.757023     -5.674802      6.756467
  C       0.280028     -4.919953      5.931407
  C       0.540638     -3.534039      6.553754
  C      -0.688582     -3.038944      7.335831
  C      -1.993102     -3.501571      6.680891
  H      -1.107688     -2.430393      0.845769
  H      -0.938605     -1.039452      1.875786
  H      -0.579788     -3.926782      2.811053
  H      -0.329742     -2.504572      3.812205
  H       1.188723     -2.919797      1.177972
  H       1.555359     -1.752229      2.448911
  H       2.093428     -3.729106      4.005323
  H       3.165455     -3.562173      2.583586
  H      -4.070167     -1.340472      3.728914
  H      -2.392058     -1.477900      4.285376
  H      -1.768315      0.499668      2.901665
  H      -3.122803      0.889125      3.957666
  H      -3.474879      1.737981      1.604094
  H      -4.733727      0.604280      2.117583
  H      -2.323698     -0.053815      0.331098
  H      -4.010148      0.039017     -0.178106
  H      -3.291963     -2.327890      0.164014
  H      -4.626571     -1.878142      1.223769
  H      -9.291640     -4.403159      4.380287
  H      -9.013700     -5.769371      3.313897
  H      -7.112173     -4.189672      5.932137
  H      -5.224632     -6.209517      6.253078
  H      -7.292824     -7.773440      5.833309
  H      -8.367873     -7.821435      4.410935
  H     -10.230339     -6.857389      5.815258
  H      -9.117981     -6.823201      7.223134
  H      -7.215117     -2.748431      4.799819
  H      -8.601667     -2.429830      3.788589
  H      -6.772496     -0.727898      3.424103
  H      -5.714373     -2.042173      2.876696
  H      -6.726963     -0.911574      0.912823
  H      -8.351202     -1.199992      1.560967
  H      -6.333623     -3.352298      0.707538
  H      -7.828107     -2.930204     -0.143096
  H      -8.153523     -4.981343      1.220219
  H      -9.168879     -3.678948      1.832860
  H      -4.077809     -5.138368      7.586399
  H      -3.153571     -6.638440      7.711279
  H      -1.671662     -5.578546      9.458238
  H      -2.596820     -4.078495      9.317158
  H      -3.741769     -6.801500     10.162668
  H      -4.683876     -5.318085      9.981527
  H      -3.278715     -4.214162     11.766678
  H      -4.180852     -5.647724     12.348110
  H      -0.776336     -6.739848      6.497502
  H      -0.463995     -5.636460      7.816661
  H      -0.109680     -4.813246      4.908042
  H       1.216503     -5.491354      5.852486
  H       1.408266     -3.579202      7.231094
  H       0.798697     -2.801896      5.772227
  H      -0.680392     -1.939849      7.404485
  H      -0.645494     -3.406216      8.372083
  H      -2.843667     -3.056651      7.218938
  H      -2.010984     -3.128642      5.643570
  N      -4.768458     -2.702666      5.533575
  H      -3.954931     -2.131822      5.764557
  H      -5.056766     -3.214228      6.375622
  H      -5.516870     -2.060656      5.265220
  N      -5.494529     -5.368545      5.743443
  N      -6.934898     -5.192497      5.934913
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.887842485035
  N      -3.165989     -3.555493      2.652837
  C      -2.840076     -4.491684      1.575011
  C      -2.638672     -5.882830      2.133637
  N      -3.838480     -6.241215      2.927605
  C      -4.973081     -6.584018      2.033248
  C      -6.249602     -6.120977      2.683342
  N      -6.161071     -4.709027      3.065968
  Mo     -4.345569     -4.479624      4.164594
  N      -2.833603     -5.404353      5.308359
  C      -2.598617     -6.804895      4.965063
  C      -3.575078     -7.308336      3.914942
  H      -2.686154     -7.484495      5.836835
  H      -1.564395     -6.955500      4.586447
  H      -4.541786     -7.558687      4.371510
  H      -3.179601     -8.209677      3.408895
  H      -7.085852     -6.319919      1.991733
  H      -6.439972     -6.753695      3.574693
  H      -4.826604     -6.059891      1.079895
  H      -4.975486     -7.670446      1.837428
  H      -1.917713     -4.221462      1.034067
  H      -3.637626     -4.511371      0.801342
  H      -1.770356     -5.885688      2.803409
  H      -2.474896     -6.630408      1.336161
  C      -2.732923     -2.182576      2.278383
  C      -1.216625     -2.121766      1.914399
  C      -0.272287     -2.907792      2.815215
  C       1.174266     -2.826476      2.325596
  C       2.122940     -3.821217      2.966465
  Cl      1.728748     -5.532067      2.492161
  C      -3.004681     -1.212351      3.439803
  C      -2.799544      0.270487      3.110572
  C      -3.617663      0.688504      1.886274
  C      -3.309734     -0.212796      0.689566
  C      -3.525466     -1.690805      1.033137
  C      -7.533403     -4.144486      3.148385
  C      -8.517384     -5.059934      3.986193
  C      -7.836596     -5.821379      5.071498
  C      -8.114691     -7.268766      5.313119
  C      -9.296786     -7.406154      6.267057
  Cl     -9.684814     -9.162806      6.640501
  C      -7.567453     -2.724401      3.746336
  C      -6.796066     -1.700205      2.922447
  C      -7.365272     -1.603651      1.506912
  C      -7.400110     -2.986167      0.851959
  C      -8.145488     -3.998224      1.722453
  C      -2.181812     -5.026975      6.604932
  C      -3.063613     -5.525034      7.781630
  C      -2.650862     -5.155228      9.206678
  C      -3.643043     -5.703926     10.231246
  C      -3.355112     -5.299957     11.663941
  Cl     -1.786177     -5.988681     12.269985
  C      -0.756919     -5.638958      6.733842
  C       0.254882     -4.878120      5.882087
  C       0.507070     -3.481207      6.484664
  C      -0.714133     -2.995957      7.285568
  C      -2.024432     -3.480852      6.659025
  H      -1.075914     -2.462312      0.873836
  H      -0.904524     -1.066061      1.901795
  H      -0.588651     -3.960345      2.846840
  H      -0.336036     -2.541765      3.852818
  H       1.207694     -2.966171      1.232527
  H       1.584364     -1.819563      2.519400
  H       2.073323     -3.803795      4.061007
  H       3.158390     -3.661724      2.644424
  H      -4.052991     -1.344034      3.731875
  H      -2.381860     -1.500676      4.302839
  H      -1.732304      0.484554      2.930489
  H      -3.087211      0.875910      3.985446
  H      -3.424749      1.743997      1.635468
  H      -4.693354      0.612838      2.128467
  H      -2.269311     -0.046493      0.362783
  H      -3.948951      0.059506     -0.166091
  H      -3.257383     -2.315638      0.167404
  H      -4.594280     -1.861260      1.222854
  H      -9.330802     -4.402201      4.361952
  H      -9.017248     -5.777189      3.310809
  H      -7.116586     -4.161557      5.916713
  H      -5.247951     -6.176061      6.276101
  H      -7.234499     -7.754795      5.766686
  H      -8.338606     -7.795934      4.372008
  H     -10.217291     -6.984327      5.845513
  H      -9.076988     -6.933935      7.231594
  H      -7.229495     -2.736685      4.792961
  H      -8.627760     -2.421805      3.791863
  H      -6.812042     -0.713084      3.414868
  H      -5.745589     -2.020940      2.864905
  H      -6.770986     -0.900838      0.900553
  H      -8.390581     -1.193842      1.554658
  H      -6.367318     -3.343811      0.704332
  H      -7.865860     -2.927654     -0.144625
  H      -8.176670     -4.978394      1.223458
  H      -9.198125     -3.681521      1.838108
  H      -4.078310     -5.139877      7.594261
  H      -3.135609     -6.625968      7.715407
  H      -1.647988     -5.541077      9.446927
  H      -2.600608     -4.058416      9.315578
  H      -3.688717     -6.803111     10.164213
  H      -4.659605     -5.336078      9.996910
  H      -3.259072     -4.211934     11.770060
  H      -4.122362     -5.663620     12.356489
  H      -0.768517     -6.707198      6.487343
  H      -0.452032     -5.586523      7.790101
  H      -0.155410     -4.788836      4.864194
  H       1.197585     -5.437804      5.789508
  H       1.388170     -3.508206      7.145225
  H       0.740578     -2.756843      5.688504
  H      -0.719138     -1.896147      7.346219
  H      -0.644360     -3.355539      8.322844
  H      -2.870111     -3.043861      7.211950
  H      -2.072113     -3.112532      5.621364
  N      -4.773743     -2.693178      5.533619
  H      -3.953602     -2.130472      5.763775
  H      -5.069897     -3.198185      6.379250
  H      -5.516066     -2.044925      5.259968
  N      -5.520832     -5.356153      5.733354
  N      -6.953213     -5.169620      5.932472
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.888403826611
  N      -3.159476     -3.556581      2.659776
  C      -2.821470     -4.493643      1.587399
  C      -2.625333     -5.883563      2.150584
  N      -3.834921     -6.239084      2.932189
  C      -4.962801     -6.573470      2.025993
  C      -6.244521     -6.113489      2.668264
  N      -6.159010     -4.704803      3.063224
  Mo     -4.344785     -4.481491      4.167872
  N      -2.842658     -5.408850      5.316274
  C      -2.617199     -6.812984      4.980195
  C      -3.586366     -7.309628      3.919546
  H      -2.721944     -7.487697      5.853591
  H      -1.580418     -6.973274      4.614239
  H      -4.557686     -7.555169      4.368203
  H      -3.190535     -8.212069      3.416007
  H      -7.072783     -6.307321      1.965771
  H      -6.442101     -6.754318      3.550185
  H      -4.806866     -6.041805      1.078415
  H      -4.964488     -7.658250      1.821452
  H      -1.894213     -4.224477      1.054646
  H      -3.609926     -4.517583      0.804723
  H      -1.765104     -5.886552      2.830321
  H      -2.453680     -6.633074      1.356570
  C      -2.742398     -2.181033      2.280724
  C      -1.229393     -2.108178      1.906973
  C      -0.278101     -2.901074      2.793456
  C       1.167772     -2.798014      2.305128
  C       2.122249     -3.807466      2.914041
  Cl      1.741764     -5.504506      2.381883
  C      -3.016001     -1.213707      3.443736
  C      -2.830881      0.271022      3.113344
  C      -3.663594      0.680856      1.896171
  C      -3.353762     -0.216916      0.697116
  C      -3.549819     -1.696777      1.041989
  C      -7.531532     -4.137573      3.145693
  C      -8.523117     -5.052370      3.977408
  C      -7.855252     -5.807997      5.076498
  C      -8.093450     -7.265684      5.291736
  C      -9.254857     -7.460104      6.260895
  Cl     -9.565377     -9.239947      6.605425
  C      -7.552828     -2.719556      3.748843
  C      -6.771350     -1.698521      2.929537
  C      -7.335772     -1.592616      1.512722
  C      -7.382559     -2.972368      0.853680
  C      -8.138989     -3.980723      1.718857
  C      -2.187598     -5.029460      6.612257
  C      -3.087289     -5.490959      7.789575
  C      -2.665839     -5.125268      9.212276
  C      -3.670529     -5.645632     10.239716
  C      -3.369247     -5.247883     11.671467
  Cl     -1.816665     -5.974276     12.274451
  C      -0.780310     -5.677025      6.759719
  C       0.257981     -4.953221      5.907978
  C       0.542940     -3.557788      6.499275
  C      -0.672272     -3.031456      7.283204
  C      -1.990688     -3.487736      6.651838
  H      -1.093156     -2.439680      0.863203
  H      -0.924172     -1.050680      1.902794
  H      -0.584076     -3.956793      2.804294
  H      -0.346000     -2.556891      3.837351
  H       1.200797     -2.901875      1.208111
  H       1.573347     -1.796167      2.532470
  H       2.069488     -3.824840      4.008836
  H       3.157106     -3.632232      2.598930
  H      -4.061636     -1.357547      3.741030
  H      -2.386214     -1.495807      4.303509
  H      -1.768076      0.498039      2.922774
  H      -3.116027      0.873197      3.991277
  H      -3.484916      1.738648      1.645454
  H      -4.736591      0.593357      2.145405
  H      -2.317647     -0.037425      0.363856
  H      -4.001243      0.047974     -0.154577
  H      -3.284255     -2.319614      0.174099
  H      -4.614864     -1.880047      1.243590
  H      -9.345683     -4.396367      4.334834
  H      -9.008573     -5.776524      3.299332
  H      -7.118674     -4.151699      5.908613
  H      -5.254856     -6.150704      6.301415
  H      -7.193532     -7.742068      5.717732
  H      -8.321240     -7.779095      4.343868
  H     -10.197596     -7.068040      5.861775
  H      -9.039403     -6.999354      7.232142
  H      -7.209503     -2.739506      4.793940
  H      -8.610038     -2.407552      3.799194
  H      -6.782430     -0.713525      3.426148
  H      -5.723024     -2.027019      2.873050
  H      -6.734290     -0.893513      0.909379
  H      -8.356853     -1.172560      1.558677
  H      -6.353394     -3.340495      0.707073
  H      -7.847202     -2.906638     -0.143150
  H      -8.177852     -4.958498      1.216237
  H      -9.189421     -3.656826      1.835339
  H      -4.089454     -5.076536      7.597101
  H      -3.192798     -6.589652      7.729593
  H      -1.672992     -5.534109      9.455425
  H      -2.587784     -4.029713      9.317555
  H      -3.746649     -6.743131     10.173732
  H      -4.676815     -5.250209     10.006408
  H      -3.247312     -4.162525     11.776757
  H      -4.143988     -5.592791     12.365130
  H      -0.819347     -6.747564      6.526814
  H      -0.484443     -5.620149      7.818204
  H      -0.141251     -4.863462      4.885677
  H       1.185470     -5.539602      5.827709
  H       1.416778     -3.602787      7.168430
  H       0.804379     -2.849982      5.697392
  H      -0.647518     -1.931331      7.332913
  H      -0.620490     -3.382504      8.324741
  H      -2.826474     -3.023723      7.197939
  H      -2.025192     -3.127634      5.611204
  N      -4.779262     -2.694165      5.537360
  H      -3.958895     -2.133026      5.770215
  H      -5.080605     -3.196795      6.381884
  H      -5.519533     -2.045896      5.258270
  N      -5.534140     -5.358638      5.723796
  N      -6.963522     -5.159895      5.929920
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.888687718403
  N      -3.149273     -3.562535      2.656867
  C      -2.814861     -4.503113      1.587271
  C      -2.629185     -5.892683      2.153236
  N      -3.843308     -6.235762      2.932473
  C      -4.972166     -6.559125      2.024191
  C      -6.252327     -6.094142      2.666431
  N      -6.161312     -4.688447      3.065520
  Mo     -4.341125     -4.478078      4.167761
  N      -2.847681     -5.413590      5.314323
  C      -2.638497     -6.821617      4.984920
  C      -3.607866     -7.308889      3.919938
  H      -2.759047     -7.490281      5.860472
  H      -1.602118     -6.995771      4.626775
  H      -4.582201     -7.544867      4.365913
  H      -3.218504     -8.215091      3.418371
  H      -7.078345     -6.281598      1.959557
  H      -6.453868     -6.738018      3.543868
  H      -4.811777     -6.024352      1.079518
  H      -4.980360     -7.642922      1.814629
  H      -1.885406     -4.241421      1.055258
  H      -3.601442     -4.524791      0.802569
  H      -1.771202     -5.901658      2.835384
  H      -2.462111     -6.645849      1.361819
  C      -2.740509     -2.188349      2.262617
  C      -1.225631     -2.105148      1.897608
  C      -0.270769     -2.862395      2.810225
  C       1.177533     -2.753210      2.330484
  C       2.134986     -3.747930      2.959520
  Cl      1.764032     -5.454446      2.451930
  C      -3.031579     -1.203143      3.406098
  C      -2.857894      0.276702      3.050295
  C      -3.685774      0.657581      1.821043
  C      -3.358278     -0.258575      0.640731
  C      -3.543935     -1.732986      1.010902
  C      -7.533568     -4.124083      3.155060
  C      -8.523442     -5.051423      3.974028
  C      -7.861743     -5.805557      5.079297
  C      -8.071141     -7.270012      5.283040
  C      -9.215697     -7.492860      6.265516
  Cl     -9.481402     -9.280031      6.604786
  C      -7.556563     -2.713940      3.776180
  C      -6.778514     -1.680987      2.969165
  C      -7.341326     -1.559952      1.553067
  C      -7.385880     -2.931782      0.877773
  C      -8.141610     -3.950329      1.730828
  C      -2.190843     -5.038923      6.610813
  C      -3.101377     -5.485579      7.785237
  C      -2.675221     -5.128744      9.209198
  C      -3.683370     -5.640337     10.238049
  C      -3.370732     -5.257046     11.671213
  Cl     -1.825286     -6.007670     12.262213
  C      -0.793998     -5.706073      6.764962
  C       0.259134     -4.997620      5.919091
  C       0.561993     -3.607814      6.514857
  C      -0.651405     -3.062730      7.288542
  C      -1.972845     -3.500232      6.649995
  H      -1.077632     -2.461613      0.864189
  H      -0.934187     -1.044606      1.868483
  H      -0.561538     -3.920583      2.844940
  H      -0.351588     -2.494002      3.843770
  H       1.218402     -2.871189      1.235011
  H       1.573525     -1.744900      2.547869
  H       2.076980     -3.748208      4.054343
  H       3.170790     -3.573633      2.647101
  H      -4.078198     -1.351910      3.697065
  H      -2.406707     -1.463841      4.275760
  H      -1.796436      0.510329      2.861655
  H      -3.152915      0.892174      3.915622
  H      -3.514303      1.712169      1.553715
  H      -4.759565      0.565083      2.063128
  H      -2.320919     -0.075464      0.313066
  H      -4.000260     -0.014711     -0.221182
  H      -3.268173     -2.369619      0.156271
  H      -4.608221     -1.922931      1.209873
  H      -9.355329     -4.403960      4.322314
  H      -8.994722     -5.777752      3.290026
  H      -7.122800     -4.151593      5.903987
  H      -5.242416     -6.120619      6.326195
  H      -7.158773     -7.739133      5.691314
  H      -8.306855     -7.779044      4.334407
  H     -10.171160     -7.121784      5.878654
  H      -9.001710     -7.033087      7.237417
  H      -7.208537     -2.745980      4.818900
  H      -8.613961     -2.404835      3.835098
  H      -6.794473     -0.702389      3.478042
  H      -5.729164     -2.005238      2.909612
  H      -6.740826     -0.853202      0.958289
  H      -8.362647     -1.141675      1.602363
  H      -6.356442     -3.297093      0.727011
  H      -7.851805     -2.855227     -0.117755
  H      -8.180714     -4.921789      1.216411
  H      -9.192094     -3.629324      1.852696
  H      -4.095968     -5.053514      7.592148
  H      -3.225704     -6.582139      7.723021
  H      -1.687061     -5.548827      9.450348
  H      -2.584142     -4.034500      9.318003
  H      -3.776940     -6.735998     10.164838
  H      -4.683388     -5.227570     10.011435
  H      -3.235040     -4.173850     11.784330
  H      -4.147215     -5.598498     12.365223
  H      -0.847692     -6.776186      6.533485
  H      -0.502618     -5.652235      7.824535
  H      -0.132342     -4.899439      4.894607
  H       1.177736     -5.598619      5.842856
  H       1.429255     -3.668013      7.191277
  H       0.841849     -2.903386      5.716318
  H      -0.609931     -1.963141      7.337657
  H      -0.612751     -3.413691      8.330881
  H      -2.803001     -3.024798      7.194952
  H      -1.999552     -3.140117      5.609441
  N      -4.762156     -2.688209      5.540678
  H      -3.936761     -2.135859      5.775941
  H      -5.070612     -3.187132      6.383341
  H      -5.494773     -2.033121      5.259165
  N      -5.534046     -5.359477      5.716065
  N      -6.963719     -5.157595      5.927590
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.889004978542
  N      -3.142382     -3.560345      2.673287
  C      -2.801418     -4.493878      1.600330
  C      -2.625982     -5.887601      2.159681
  N      -3.844568     -6.229297      2.931244
  C      -4.968597     -6.547722      2.016060
  C      -6.253774     -6.088648      2.653517
  N      -6.168489     -4.686624      3.057538
  Mo     -4.349550     -4.480594      4.169919
  N      -2.864600     -5.415980      5.318564
  C      -2.659028     -6.825260      4.993624
  C      -3.619194     -7.306724      3.916947
  H      -2.794717     -7.491590      5.868727
  H      -1.620002     -7.003407      4.647814
  H      -4.597247     -7.542079      4.353858
  H      -3.226700     -8.212219      3.416651
  H      -7.072120     -6.273685      1.936829
  H      -6.459064     -6.738156      3.524679
  H      -4.804261     -6.007085      1.075952
  H      -4.975344     -7.630132      1.798957
  H      -1.864949     -4.233029      1.080291
  H      -3.579665     -4.506971      0.806925
  H      -1.772442     -5.904559      2.847213
  H      -2.457832     -6.638418      1.366424
  C      -2.725492     -2.183839      2.292383
  C      -1.215041     -2.105034      1.908080
  C      -0.249684     -2.870291      2.802430
  C       1.192769     -2.757869      2.305719
  C       2.152499     -3.769409      2.904151
  Cl      1.761234     -5.462515      2.369242
  C      -2.990806     -1.208908      3.451480
  C      -2.811852      0.273037      3.107598
  C      -3.657458      0.673552      1.897588
  C      -3.354380     -0.231308      0.702222
  C      -3.544893     -1.707861      1.059336
  C      -7.543513     -4.133873      3.141651
  C      -8.530297     -5.068237      3.955907
  C      -7.880453     -5.821110      5.070970
  C      -8.060851     -7.291318      5.268329
  C      -9.185140     -7.531570      6.269087
  Cl     -9.416141     -9.319917      6.616783
  C      -7.583753     -2.721343      3.757172
  C      -6.821399     -1.682672      2.943311
  C      -7.382109     -1.576406      1.525694
  C      -7.407178     -2.952306      0.858077
  C      -8.152173     -3.972489      1.716648
  C      -2.201106     -5.033805      6.608251
  C      -3.117793     -5.452964      7.788497
  C      -2.686829     -5.085906      9.209443
  C      -3.697529     -5.577295     10.246360
  C      -3.373968     -5.191012     11.676087
  Cl     -1.835559     -5.957801     12.264325
  C      -0.813210     -5.716271      6.766143
  C       0.246947     -5.032368      5.909393
  C       0.571521     -3.641999      6.491470
  C      -0.634593     -3.068678      7.255908
  C      -1.963190     -3.497343      6.626105
  H      -1.082432     -2.455595      0.870911
  H      -0.918801     -1.045994      1.881334
  H      -0.540272     -3.927817      2.833154
  H      -0.316160     -2.509538      3.839231
  H       1.218476     -2.856149      1.207512
  H       1.595697     -1.754554      2.536100
  H       2.109605     -3.789444      3.999512
  H       3.185909     -3.596861      2.582606
  H      -4.032571     -1.353999      3.759791
  H      -2.352502     -1.482247      4.307386
  H      -1.752420      0.500809      2.902977
  H      -3.086752      0.881740      3.984272
  H      -3.482160      1.729724      1.639981
  H      -4.727371      0.585329      2.155423
  H      -2.320637     -0.052106      0.360525
  H      -4.007225      0.027042     -0.147188
  H      -3.287839     -2.337022      0.193515
  H      -4.607172     -1.893219      1.273062
  H      -9.368915     -4.425405      4.292036
  H      -8.990893     -5.797953      3.270281
  H      -7.139125     -4.174964      5.899291
  H      -5.237479     -6.109723      6.342146
  H      -7.137300     -7.753351      5.660065
  H      -8.309604     -7.800072      4.322761
  H     -10.151846     -7.178707      5.894086
  H      -8.967697     -7.066828      7.237278
  H      -7.231536     -2.741436      4.797790
  H      -8.644638     -2.425760      3.819190
  H      -6.852424     -0.701779      3.447061
  H      -5.767851     -1.992410      2.885795
  H      -6.789141     -0.865889      0.928348
  H      -8.408661     -1.171093      1.569864
  H      -6.373066     -3.305173      0.710756
  H      -7.874021     -2.887828     -0.137843
  H      -8.182669     -4.946770      1.206929
  H      -9.205563     -3.661814      1.837026
  H      -4.105426     -5.006723      7.592869
  H      -3.258920     -6.547986      7.738316
  H      -1.702379     -5.512011      9.453009
  H      -2.585301     -3.991331      9.307186
  H      -3.806804     -6.672025     10.179315
  H      -4.691729     -5.151493     10.021509
  H      -3.224800     -4.108639     11.784269
  H      -4.151737     -5.521842     12.374725
  H      -0.881356     -6.788561      6.549334
  H      -0.515982     -5.651828      7.823155
  H      -0.143863     -4.936003      4.884570
  H       1.156234     -5.647854      5.837168
  H       1.436259     -3.708901      7.170344
  H       0.864562     -2.950274      5.686272
  H      -0.576903     -1.969384      7.288922
  H      -0.602277     -3.404470      8.303544
  H      -2.783802     -3.004745      7.170203
  H      -1.989782     -3.151263      5.580773
  N      -4.774298     -2.696234      5.551388
  H      -3.949272     -2.145065      5.790354
  H      -5.084676     -3.196978      6.391054
  H      -5.505725     -2.040659      5.269308
  N      -5.545626     -5.386406      5.696839
  N      -6.974583     -5.178656      5.916958
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.889347385052
  N      -3.135838     -3.575607      2.680834
  C      -2.780975     -4.508100      1.611008
  C      -2.617439     -5.903936      2.169570
  N      -3.844559     -6.242284      2.929515
  C      -4.963605     -6.553433      2.005095
  C      -6.254295     -6.093474      2.632890
  N      -6.168451     -4.693833      3.046007
  Mo     -4.352993     -4.498021      4.166753
  N      -2.876072     -5.431186      5.319247
  C      -2.676150     -6.843495      5.000571
  C      -3.630055     -7.321777      3.915529
  H      -2.824075     -7.506178      5.877098
  H      -1.635059     -7.027905      4.664314
  H      -4.611797     -7.554859      4.345584
  H      -3.235207     -8.227126      3.416751
  H      -7.063728     -6.271700      1.904446
  H      -6.471457     -6.748467      3.497446
  H      -4.790220     -6.008438      1.068935
  H      -4.971708     -7.634753      1.782165
  H      -1.836093     -4.249280      1.105074
  H      -3.547048     -4.517612      0.805724
  H      -1.771032     -5.925285      2.866152
  H      -2.444099     -6.654723      1.377385
  C      -2.730822     -2.194714      2.304763
  C      -1.218409     -2.099756      1.932515
  C      -0.253242     -2.866163      2.826991
  C       1.192425     -2.736935      2.341689
  C       2.150895     -3.762780      2.917229
  Cl      1.763165     -5.441580      2.336918
  C      -3.016633     -1.228597      3.466854
  C      -2.854539      0.257118      3.130917
  C      -3.699564      0.652417      1.918623
  C      -3.377371     -0.242086      0.720277
  C      -3.549433     -1.722830      1.069378
  C      -7.537574     -4.130578      3.130033
  C      -8.536347     -5.056341      3.938007
  C      -7.904300     -5.815654      5.058908
  C      -8.090881     -7.285505      5.256262
  C      -9.194386     -7.517477      6.281938
  Cl     -9.425671     -9.303279      6.643245
  C      -7.556614     -2.721675      3.755442
  C      -6.776348     -1.689654      2.948886
  C      -7.329123     -1.566653      1.529259
  C      -7.378267     -2.938629      0.854224
  C      -8.143940     -3.949277      1.705997
  C      -2.204873     -5.037931      6.601918
  C      -3.113505     -5.448676      7.791819
  C      -2.676127     -5.067498      9.206997
  C      -3.674854     -5.559396     10.255072
  C      -3.340517     -5.164420     11.679956
  Cl     -1.790425     -5.915971     12.256455
  C      -0.813306     -5.713646      6.754236
  C       0.235133     -5.033693      5.879556
  C       0.562619     -3.638987      6.448532
  C      -0.639120     -3.059889      7.215396
  C      -1.972312     -3.500004      6.603342
  H      -1.075454     -2.441125      0.893427
  H      -0.930091     -1.038078      1.916527
  H      -0.536183     -3.927175      2.844802
  H      -0.329678     -2.516959      3.867873
  H       1.224727     -2.804724      1.241455
  H       1.592074     -1.739922      2.602042
  H       2.104274     -3.811263      4.011225
  H       3.185392     -3.580937      2.604382
  H      -4.059176     -1.388737      3.766917
  H      -2.381661     -1.497752      4.326706
  H      -1.797050      0.499078      2.931844
  H      -3.140695      0.858337      4.009261
  H      -3.537729      1.712533      1.667466
  H      -4.769667      0.547398      2.170385
  H      -2.344153     -0.047032      0.385673
  H      -4.028612      0.011670     -0.131902
  H      -3.280054     -2.344328      0.201812
  H      -4.610160     -1.924221      1.277839
  H      -9.371748     -4.404810      4.265886
  H      -8.998774     -5.783631      3.249929
  H      -7.134247     -4.181769      5.884936
  H      -5.244531     -6.111575      6.347171
  H      -7.163181     -7.756692      5.625835
  H      -8.367304     -7.790569      4.316622
  H     -10.167956     -7.162789      5.925580
  H      -8.956335     -7.049990      7.243664
  H      -7.201817     -2.753154      4.795498
  H      -8.612533     -2.409023      3.820992
  H      -6.795793     -0.711392      3.458255
  H      -5.726473     -2.013321      2.894206
  H      -6.719958     -0.864504      0.937811
  H      -8.348213     -1.142096      1.571076
  H      -6.350527     -3.310250      0.707667
  H      -7.841349     -2.860300     -0.142419
  H      -8.193942     -4.919490      1.190091
  H      -9.191163     -3.618738      1.828344
  H      -4.103297     -5.006164      7.598924
  H      -3.253531     -6.544180      7.752008
  H      -1.686225     -5.483627      9.446555
  H      -2.583292     -3.971370      9.295852
  H      -3.778357     -6.655079     10.194089
  H      -4.673824     -5.140012     10.037486
  H      -3.199644     -4.080532     11.782489
  H      -4.108728     -5.498980     12.386994
  H      -0.879118     -6.788634      6.550863
  H      -0.504917     -5.635730      7.807316
  H      -0.166393     -4.943247      4.858017
  H       1.145160     -5.647194      5.801060
  H       1.431371     -3.700243      7.122795
  H       0.850891     -2.954078      5.635884
  H      -0.584278     -1.960126      7.234881
  H      -0.597694     -3.382778      8.266615
  H      -2.788180     -3.005719      7.153146
  H      -2.013422     -3.163584      5.555410
  N      -4.780241     -2.714233      5.550585
  H      -3.954168     -2.163947      5.788976
  H      -5.093396     -3.210771      6.392224
  H      -5.510508     -2.058095      5.264975
  N      -5.559803     -5.420665      5.670133
  N      -6.981028     -5.188786      5.899333
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.889664133540
  N      -3.137150     -3.569328      2.674693
  C      -2.763575     -4.505253      1.613628
  C      -2.608044     -5.899591      2.176996
  N      -3.842923     -6.235751      2.924473
  C      -4.955412     -6.541833      1.990454
  C      -6.251737     -6.087142      2.611440
  N      -6.171636     -4.689743      3.039476
  Mo     -4.357399     -4.492537      4.157532
  N      -2.878667     -5.420140      5.312799
  C      -2.686760     -6.836009      5.001502
  C      -3.637368     -7.314651      3.912858
  H      -2.841808     -7.494828      5.880281
  H      -1.644951     -7.028657      4.671066
  H      -4.622436     -7.544353      4.337938
  H      -3.241178     -8.220721      3.416340
  H      -7.055171     -6.258615      1.874618
  H      -6.476961     -6.749895      3.468832
  H      -4.775110     -5.990934      1.058618
  H      -4.961844     -7.621858      1.761000
  H      -1.809357     -4.247332      1.124065
  H      -3.515565     -4.514792      0.795082
  H      -1.769222     -5.918539      2.883277
  H      -2.425757     -6.651664      1.388074
  C      -2.732195     -2.189357      2.296391
  C      -1.217598     -2.105632      1.937488
  C      -0.269203     -2.884673      2.839352
  C       1.181267     -2.781082      2.361568
  C       2.115887     -3.832411      2.930169
  Cl      1.694992     -5.497810      2.333674
  C      -3.027538     -1.218956      3.452626
  C      -2.859109      0.265655      3.113403
  C      -3.693497      0.656773      1.891841
  C      -3.361003     -0.240634      0.698477
  C      -3.536250     -1.721047      1.049970
  C      -7.541322     -4.131734      3.134835
  C      -8.533911     -5.066997      3.937733
  C      -7.898858     -5.825121      5.055839
  C      -8.058762     -7.300092      5.235561
  C      -9.138118     -7.561165      6.280072
  Cl     -9.330430     -9.353242      6.635858
  C      -7.563963     -2.730777      3.778681
  C      -6.794030     -1.683257      2.981733
  C      -7.350947     -1.546885      1.564857
  C      -7.397107     -2.911573      0.873697
  C      -8.157021     -3.934373      1.716627
  C      -2.208177     -5.026794      6.595962
  C      -3.119618     -5.435082      7.784298
  C      -2.680378     -5.055885      9.199296
  C      -3.679192     -5.545079     10.247923
  C      -3.339769     -5.152784     11.672482
  Cl     -1.790693     -5.910286     12.244226
  C      -0.818677     -5.705794      6.753079
  C       0.235886     -5.024034      5.886262
  C       0.565805     -3.635776      6.468104
  C      -0.641054     -3.052660      7.223796
  C      -1.970667     -3.488957      6.600762
  H      -1.069569     -2.447656      0.898981
  H      -0.917391     -1.046967      1.924968
  H      -0.571788     -3.941506      2.859440
  H      -0.344998     -2.530511      3.879373
  H       1.217880     -2.838918      1.261064
  H       1.600581     -1.795633      2.632756
  H       2.067136     -3.890543      4.023640
  H       3.154318     -3.667810      2.620509
  H      -4.073246     -1.375124      3.742449
  H      -2.401788     -1.486401      4.319887
  H      -1.799182      0.504299      2.923176
  H      -3.152850      0.870350      3.986856
  H      -3.530669      1.716435      1.638116
  H      -4.765678      0.550465      2.135777
  H      -2.324919     -0.047111      0.372334
  H      -4.005137      0.010839     -0.159867
  H      -3.255218     -2.343949      0.187047
  H      -4.598824     -1.922232      1.245679
  H      -9.371993     -4.419570      4.268847
  H      -8.993171     -5.795121      3.246872
  H      -7.131328     -4.190555      5.892755
  H      -5.223597     -6.078398      6.364275
  H      -7.115966     -7.758487      5.580893
  H      -8.344794     -7.796335      4.294339
  H     -10.125578     -7.222726      5.944811
  H      -8.890194     -7.094055      7.239540
  H      -7.203474     -2.773590      4.816705
  H      -8.621057     -2.423568      3.853156
  H      -6.818936     -0.710966      3.502362
  H      -5.741639     -1.997102      2.922316
  H      -6.744628     -0.835659      0.980929
  H      -8.371891     -1.127019      1.613966
  H      -6.368184     -3.277833      0.720904
  H      -7.861023     -2.823043     -0.121523
  H      -8.209689     -4.898255      1.188907
  H      -9.203515     -3.604749      1.848035
  H      -4.107169     -4.986964      7.591650
  H      -3.265539     -6.529673      7.744227
  H      -1.691174     -5.476271      9.436016
  H      -2.584078     -3.960010      9.287660
  H      -3.786446     -6.640336     10.186245
  H      -4.677748     -5.121779     10.033854
  H      -3.194639     -4.069585     11.775671
  H      -4.107076     -5.484434     12.381548
  H      -0.885235     -6.780302      6.547315
  H      -0.513907     -5.630682      7.807924
  H      -0.160338     -4.922382      4.863468
  H       1.144545     -5.639013      5.806869
  H       1.425808     -3.706878      7.152739
  H       0.868677     -2.948110      5.664008
  H      -0.583632     -1.952967      7.243721
  H      -0.610133     -3.374887      8.275534
  H      -2.789335     -2.993592      7.145297
  H      -2.004132     -3.151259      5.553018
  N      -4.785768     -2.707498      5.541522
  H      -3.958099     -2.157696      5.774819
  H      -5.096879     -3.199544      6.386698
  H      -5.516233     -2.050506      5.257737
  N      -5.558847     -5.433363      5.651340
  N      -6.973927     -5.198894      5.894384
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.889982681491
  N      -3.134411     -3.567751      2.679312
  C      -2.756059     -4.503877      1.619181
  C      -2.606359     -5.899329      2.181013
  N      -3.845243     -6.234151      2.922276
  C      -4.953627     -6.531014      1.980606
  C      -6.253841     -6.077345      2.593789
  N      -6.172580     -4.684551      3.039079
  Mo     -4.358042     -4.494044      4.157772
  N      -2.880038     -5.424233      5.312697
  C      -2.698070     -6.842335      5.002106
  C      -3.647287     -7.316141      3.909248
  H      -2.859802     -7.500599      5.880377
  H      -1.656371     -7.042598      4.675285
  H      -4.635016     -7.542608      4.330552
  H      -3.251452     -8.221732      3.411503
  H      -7.049875     -6.235025      1.845377
  H      -6.494640     -6.748584      3.440851
  H      -4.765209     -5.973722      1.053854
  H      -4.961967     -7.609236      1.743059
  H      -1.797796     -4.248044      1.137040
  H      -3.502509     -4.508977      0.795472
  H      -1.769989     -5.920636      2.890169
  H      -2.422511     -6.649821      1.390992
  C      -2.736607     -2.185853      2.296866
  C      -1.221577     -2.094007      1.943990
  C      -0.270735     -2.853638      2.860548
  C       1.179237     -2.760879      2.377926
  C       2.110247     -3.813333      2.950320
  Cl      1.675191     -5.481883      2.372709
  C      -3.042433     -1.211024      3.446148
  C      -2.877722      0.272668      3.099641
  C      -3.708473      0.653586      1.871948
  C      -3.368123     -0.249131      0.684970
  C      -3.537729     -1.728874      1.044318
  C      -7.541316     -4.125839      3.134544
  C      -8.534212     -5.057294      3.941433
  C      -7.901174     -5.820396      5.056433
  C      -8.067389     -7.294775      5.232744
  C      -9.125341     -7.551096      6.300655
  Cl     -9.319277     -9.341385      6.666720
  C      -7.567677     -2.719349      3.766840
  C      -6.800100     -1.676327      2.960997
  C      -7.354926     -1.553384      1.542187
  C      -7.399074     -2.924506      0.863507
  C      -8.159276     -3.939606      1.715718
  C      -2.207553     -5.036079      6.596765
  C      -3.119522     -5.439107      7.786096
  C      -2.672362     -5.063534      9.199514
  C      -3.668053     -5.548596     10.252416
  C      -3.317413     -5.160535     11.675633
  Cl     -1.769221     -5.927993     12.236565
  C      -0.822656     -5.723865      6.755398
  C       0.237370     -5.046244      5.891572
  C       0.576819     -3.663994      6.481762
  C      -0.630014     -3.070946      7.230470
  C      -1.960535     -3.499455      6.603602
  H      -1.066740     -2.447628      0.910170
  H      -0.928268     -1.033292      1.918827
  H      -0.574020     -3.909651      2.903968
  H      -0.344566     -2.477044      3.893105
  H       1.212864     -2.827184      1.277869
  H       1.604917     -1.776028      2.639903
  H       2.069664     -3.861790      4.044552
  H       3.147359     -3.657077      2.631903
  H      -4.088733     -1.369467      3.731192
  H      -2.419808     -1.470821      4.317920
  H      -1.817377      0.513112      2.913124
  H      -3.178094      0.881063      3.968226
  H      -3.549545      1.712488      1.612186
  H      -4.781021      0.543372      2.113002
  H      -2.331768     -0.053406      0.361134
  H      -4.010749     -0.005561     -0.176793
  H      -3.248677     -2.354560      0.185965
  H      -4.600272     -1.934191      1.236080
  H      -9.369500     -4.406600      4.275540
  H      -8.999046     -5.784060      3.251799
  H      -7.114642     -4.192810      5.895509
  H      -5.210991     -6.057056      6.377182
  H      -7.118218     -7.756751      5.554961
  H      -8.376498     -7.784108      4.295633
  H     -10.118359     -7.207993      5.986256
  H      -8.853768     -7.081424      7.252413
  H      -7.208976     -2.751845      4.805710
  H      -8.625376     -2.413266      3.837079
  H      -6.828345     -0.699071      3.472432
  H      -5.746411     -1.986752      2.906363
  H      -6.746842     -0.847386      0.953618
  H      -8.376373     -1.133888      1.585570
  H      -6.369490     -3.291444      0.715922
  H      -7.860347     -2.845012     -0.133638
  H      -8.214077     -4.908194      1.196447
  H      -9.204964     -3.606534      1.845049
  H      -4.104319     -4.982890      7.597124
  H      -3.274494     -6.532416      7.746230
  H      -1.683915     -5.489634      9.429670
  H      -2.570513     -3.968164      9.287550
  H      -3.782282     -6.643062     10.189677
  H      -4.665603     -5.118740     10.045908
  H      -3.165119     -4.078547     11.779618
  H      -4.081994     -5.488060     12.389212
  H      -0.894885     -6.797876      6.549011
  H      -0.517952     -5.651121      7.810719
  H      -0.157730     -4.935471      4.869271
  H       1.142007     -5.666718      5.809381
  H       1.429991     -3.747132      7.173678
  H       0.894303     -2.976027      5.683997
  H      -0.566257     -1.971528      7.247846
  H      -0.605963     -3.390109      8.283360
  H      -2.777344     -2.999984      7.147240
  H      -1.991360     -3.160802      5.556215
  N      -4.779764     -2.713908      5.549947
  H      -3.948041     -2.170302      5.783317
  H      -5.094898     -3.200072      6.396814
  H      -5.505014     -2.050735      5.267285
  N      -5.560834     -5.456184      5.633094
  N      -6.965224     -5.202949      5.890307
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890267204904
  N      -3.130683     -3.572247      2.685517
  C      -2.750490     -4.507374      1.624387
  C      -2.607394     -5.904865      2.183761
  N      -3.848563     -6.238934      2.921693
  C      -4.953613     -6.529628      1.974821
  C      -6.257564     -6.074983      2.578694
  N      -6.174515     -4.686123      3.036290
  Mo     -4.361730     -4.500707      4.156737
  N      -2.885056     -5.431430      5.315299
  C      -2.711101     -6.851243      5.007315
  C      -3.657564     -7.322026      3.909882
  H      -2.879408     -7.508203      5.885066
  H      -1.669480     -7.058186      4.684988
  H      -4.648038     -7.543952      4.326886
  H      -3.261839     -8.228399      3.413564
  H      -7.045024     -6.220412      1.819078
  H      -6.514836     -6.751546      3.416389
  H      -4.758028     -5.969769      1.051370
  H      -4.964117     -7.606798      1.732960
  H      -1.788243     -4.254660      1.149541
  H      -3.492229     -4.505572      0.796562
  H      -1.771815     -5.929850      2.893257
  H      -2.424214     -6.653251      1.391630
  C      -2.731888     -2.188243      2.307267
  C      -1.217192     -2.085727      1.952797
  C      -0.256280     -2.842526      2.861865
  C       1.189234     -2.745670      2.366407
  C       2.124882     -3.807020      2.914159
  Cl      1.683951     -5.466190      2.314940
  C      -3.038203     -1.217906      3.459704
  C      -2.873674      0.267066      3.117552
  C      -3.705111      0.651397      1.891478
  C      -3.367100     -0.248122      0.701754
  C      -3.535457     -1.729213      1.057368
  C      -7.543550     -4.129769      3.135475
  C      -8.534913     -5.069339      3.935477
  C      -7.898542     -5.838213      5.043865
  C      -8.058572     -7.314264      5.210432
  C      -9.097863     -7.579184      6.294510
  Cl     -9.280178     -9.370128      6.661154
  C      -7.574836     -2.728409      3.778156
  C      -6.808359     -1.678295      2.980809
  C      -7.362038     -1.545278      1.562561
  C      -7.403885     -2.911359      0.873453
  C      -8.163516     -3.932777      1.718549
  C      -2.211606     -5.041445      6.596918
  C      -3.129313     -5.424707      7.788976
  C      -2.685452     -5.036689      9.200489
  C      -3.689949     -5.501757     10.253849
  C      -3.342601     -5.099915     11.674188
  Cl     -1.804250     -5.875096     12.251786
  C      -0.833075     -5.740014      6.761998
  C       0.231588     -5.079943      5.890370
  C       0.585800     -3.697001      6.469565
  C      -0.616596     -3.081981      7.208730
  C      -1.951222     -3.506910      6.588059
  H      -1.062455     -2.431022      0.916414
  H      -0.929834     -1.023291      1.932216
  H      -0.556478     -3.898217      2.907796
  H      -0.321734     -2.465761      3.894545
  H       1.212533     -2.798126      1.265232
  H       1.619045     -1.764560      2.635833
  H       2.096344     -3.873201      4.008002
  H       3.158737     -3.645205      2.587642
  H      -4.083881     -1.377391      3.746018
  H      -2.413482     -1.479382      4.329390
  H      -1.813156      0.507119      2.932323
  H      -3.174851      0.872620      3.987696
  H      -3.546447      1.710644      1.633806
  H      -4.776945      0.540260      2.134152
  H      -2.331532     -0.051995      0.375572
  H      -4.012249     -0.002711     -0.157433
  H      -3.245151     -2.351354      0.196898
  H      -4.598082     -1.935779      1.248204
  H      -9.371040     -4.423530      4.276724
  H      -8.999820     -5.791266      3.241530
  H      -7.111220     -4.211573      5.887640
  H      -5.198182     -6.032447      6.389787
  H      -7.100660     -7.771847      5.514090
  H      -8.379802     -7.795722      4.273741
  H     -10.096457     -7.237692      5.997572
  H      -8.810260     -7.108734      7.241346
  H      -7.221085     -2.767935      4.818426
  H      -8.633333     -2.425590      3.846727
  H      -6.837770     -0.704523      3.498892
  H      -5.754254     -1.986587      2.924605
  H      -6.753209     -0.834663      0.980751
  H      -8.383893     -1.127528      1.607986
  H      -6.373540     -3.275372      0.723790
  H      -7.863802     -2.824485     -0.123714
  H      -8.220858     -4.897008      1.192194
  H      -9.208207     -3.598680      1.851418
  H      -4.109898     -4.961595      7.593639
  H      -3.293604     -6.516969      7.761152
  H      -1.701662     -5.468014      9.438784
  H      -2.575832     -3.941244      9.275690
  H      -3.812951     -6.595836     10.203338
  H      -4.682978     -5.066288     10.038288
  H      -3.180173     -4.018164     11.766047
  H      -4.113489     -5.411381     12.388465
  H      -0.914410     -6.815415      6.566428
  H      -0.525279     -5.658806      7.815554
  H      -0.165652     -4.972456      4.868961
  H       1.130309     -5.709318      5.810399
  H       1.434466     -3.785181      7.166427
  H       0.916322     -3.019419      5.667765
  H      -0.543951     -1.983003      7.209128
  H      -0.596069     -3.384599      8.266505
  H      -2.763516     -2.994798      7.126951
  H      -1.980882     -3.179685      5.536923
  N      -4.777151     -2.725046      5.553871
  H      -3.942473     -2.183737      5.782029
  H      -5.090057     -3.202357      6.405495
  H      -5.500582     -2.059210      5.273732
  N      -5.564674     -5.486251      5.613028
  N      -6.962078     -5.221223      5.878465
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890473939456
  N      -3.132324     -3.565716      2.692724
  C      -2.743219     -4.495541      1.630508
  C      -2.599460     -5.895201      2.185692
  N      -3.842431     -6.235683      2.918639
  C      -4.942734     -6.525911      1.966419
  C      -6.253448     -6.077206      2.560018
  N      -6.175670     -4.692808      3.031194
  Mo     -4.366068     -4.504830      4.156163
  N      -2.886042     -5.429333      5.316452
  C      -2.711346     -6.848969      5.008149
  C      -3.652494     -7.320263      3.905526
  H      -2.883400     -7.506489      5.884665
  H      -1.668308     -7.054985      4.690314
  H      -4.644147     -7.543167      4.318545
  H      -3.251876     -8.224566      3.409626
  H      -7.028793     -6.213830      1.786651
  H      -6.524653     -6.762092      3.385710
  H      -4.742904     -5.962109      1.046552
  H      -4.948739     -7.602015      1.719700
  H      -1.777738     -4.238597      1.163859
  H      -3.478746     -4.491748      0.797485
  H      -1.765387     -5.921655      2.896615
  H      -2.412554     -6.639821      1.390802
  C      -2.733678     -2.180927      2.320223
  C      -1.218960     -2.078958      1.962878
  C      -0.255821     -2.836347      2.869740
  C       1.186274     -2.754910      2.360986
  C       2.114128     -3.827436      2.900005
  Cl      1.643924     -5.481128      2.308956
  C      -3.038295     -1.214448      3.476445
  C      -2.878174      0.272066      3.138932
  C      -3.711127      0.658990      1.914917
  C      -3.373666     -0.236754      0.722187
  C      -3.540083     -1.718935      1.073515
  C      -7.546137     -4.137792      3.130099
  C      -8.538943     -5.077581      3.930013
  C      -7.900885     -5.852117      5.034131
  C      -8.069187     -7.326949      5.203074
  C      -9.090333     -7.585567      6.305614
  Cl     -9.274180     -9.374789      6.678325
  C      -7.573631     -2.736713      3.773200
  C      -6.801762     -1.690043      2.976476
  C      -7.355937     -1.552932      1.558673
  C      -7.404389     -2.918015      0.868404
  C      -8.167296     -3.936644      1.713639
  C      -2.212107     -5.038381      6.596751
  C      -3.132374     -5.409364      7.790815
  C      -2.686750     -5.018455      9.201163
  C      -3.695357     -5.471909     10.255731
  C      -3.346595     -5.065694     11.674559
  Cl     -1.815237     -5.850370     12.257547
  C      -0.839848     -5.747872      6.763003
  C       0.227634     -5.100560      5.885059
  C       0.597217     -3.719978      6.459330
  C      -0.599576     -3.087692      7.193767
  C      -1.939522     -3.506107      6.580045
  H      -1.066780     -2.425672      0.926526
  H      -0.930979     -1.016965      1.940680
  H      -0.562886     -3.889220      2.925102
  H      -0.309632     -2.452487      3.899914
  H       1.198857     -2.808059      1.259568
  H       1.630366     -1.778821      2.626253
  H       2.096256     -3.892174      3.994033
  H       3.146576     -3.680053      2.562482
  H      -4.083019     -1.376791      3.765404
  H      -2.410410     -1.476942      4.343433
  H      -1.818373      0.515588      2.954511
  H      -3.180744      0.873712      4.011287
  H      -3.554131      1.719082      1.660524
  H      -4.782498      0.545862      2.158245
  H      -2.338986     -0.038444      0.394375
  H      -4.020851      0.010248     -0.134974
  H      -3.250871     -2.338200      0.210692
  H      -4.602584     -1.926702      1.265792
  H      -9.373276     -4.432213      4.276003
  H      -9.007997     -5.795261      3.235170
  H      -7.100813     -4.226858      5.867792
  H      -5.185731     -6.014218      6.393438
  H      -7.107058     -7.788551      5.488933
  H      -8.409296     -7.804295      4.271263
  H     -10.091618     -7.238278      6.026230
  H      -8.781993     -7.114615      7.245661
  H      -7.222784     -2.778030      4.814837
  H      -8.631250     -2.430898      3.839899
  H      -6.825504     -0.716537      3.495255
  H      -5.749347     -2.004116      2.917556
  H      -6.744212     -0.844773      0.977072
  H      -8.375607     -1.130327      1.604999
  H      -6.375922     -3.286267      0.716587
  H      -7.865996     -2.827909     -0.127842
  H      -8.231849     -4.899517      1.186414
  H      -9.209816     -3.597414      1.849831
  H      -4.109682     -4.938981      7.595546
  H      -3.305660     -6.500374      7.767685
  H      -1.706317     -5.455210      9.441921
  H      -2.569926     -3.923483      9.271756
  H      -3.826552     -6.565213     10.210048
  H      -4.684859     -5.030324     10.037114
  H      -3.175566     -3.984869     11.761443
  H      -4.120858     -5.367588     12.389344
  H      -0.930966     -6.823493      6.572217
  H      -0.528954     -5.664292      7.815253
  H      -0.173606     -4.991574      4.865304
  H       1.120051     -5.738850      5.802718
  H       1.442438     -3.817019      7.159151
  H       0.939239     -3.049609      5.656077
  H      -0.518065     -1.989392      7.182614
  H      -0.579775     -3.379456      8.254581
  H      -2.744778     -2.984761      7.120759
  H      -1.972216     -3.183716      5.527778
  N      -4.790162     -2.739443      5.559402
  H      -3.957699     -2.191870      5.781093
  H      -5.096910     -3.207344      6.417978
  H      -5.518447     -2.078659      5.279080
  N      -5.567812     -5.521733      5.589139
  N      -6.957589     -5.237100      5.864064
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890597989545
  N      -3.129537     -3.564809      2.691310
  C      -2.741280     -4.493738      1.628211
  C      -2.598827     -5.894829      2.181010
  N      -3.841342     -6.235792      2.915083
  C      -4.943500     -6.524962      1.964834
  C      -6.255380     -6.075655      2.556456
  N      -6.174984     -4.694129      3.034649
  Mo     -4.363191     -4.508175      4.154727
  N      -2.879714     -5.430084      5.313254
  C      -2.708230     -6.850058      5.004222
  C      -3.650257     -7.320509      3.901153
  H      -2.883179     -7.506981      5.880754
  H      -1.665522     -7.057906      4.686893
  H      -4.641736     -7.540961      4.315455
  H      -3.249819     -8.224778      3.405308
  H      -7.024901     -6.204627      1.775791
  H      -6.534244     -6.765074      3.375112
  H      -4.743730     -5.961247      1.044912
  H      -4.949776     -7.600989      1.717440
  H      -1.775267     -4.237616      1.162055
  H      -3.475967     -4.488928      0.794684
  H      -1.763462     -5.924899      2.890214
  H      -2.414501     -6.638130      1.384161
  C      -2.732805     -2.180109      2.319265
  C      -1.216893     -2.073928      1.965464
  C      -0.254293     -2.838353      2.867307
  C       1.187160     -2.758986      2.355609
  C       2.110221     -3.841865      2.882211
  Cl      1.631509     -5.486169      2.272716
  C      -3.043706     -1.215878      3.475911
  C      -2.891997      0.271874      3.140842
  C      -3.722406      0.656457      1.914598
  C      -3.376697     -0.236364      0.721932
  C      -3.537679     -1.719322      1.070943
  C      -7.544863     -4.134296      3.134869
  C      -8.539925     -5.066843      3.941621
  C      -7.899427     -5.846486      5.042129
  C      -8.073867     -7.320519      5.209540
  C      -9.080010     -7.581877      6.324758
  Cl     -9.259356     -9.373240      6.688880
  C      -7.563757     -2.729270      3.770149
  C      -6.785227     -1.692355      2.967656
  C      -7.341961     -1.558635      1.550187
  C      -7.401103     -2.926617      0.866894
  C      -8.168064     -3.936321      1.718909
  C      -2.212491     -5.038191      6.596959
  C      -3.134800     -5.414062      7.787324
  C      -2.692285     -5.026083      9.199433
  C      -3.702858     -5.481846     10.251352
  C      -3.357629     -5.077056     11.671381
  Cl     -1.828216     -5.863059     12.257013
  C      -0.837552     -5.740592      6.769859
  C       0.228926     -5.086785      5.895515
  C       0.590821     -3.706152      6.473469
  C      -0.613080     -3.077824      7.200163
  C      -1.948989     -3.504343      6.583047
  H      -1.062299     -2.413801      0.927225
  H      -0.931349     -1.011276      1.951659
  H      -0.563193     -3.891228      2.916931
  H      -0.305001     -2.460657      3.899584
  H       1.196676     -2.801369      1.253718
  H       1.637619     -1.788232      2.629954
  H       2.090598     -3.918560      3.975367
  H       3.143599     -3.696917      2.546822
  H      -4.088576     -1.384347      3.762530
  H      -2.416275     -1.475801      4.343992
  H      -1.833103      0.523026      2.961112
  H      -3.201536      0.870107      4.013185
  H      -3.569327      1.717676      1.662821
  H      -4.794363      0.538627      2.153340
  H      -2.342159     -0.032261      0.397248
  H      -4.022553      0.008565     -0.136924
  H      -3.244409     -2.336635      0.208232
  H      -4.599762     -1.931587      1.260646
  H      -9.368184     -4.416334      4.292097
  H      -9.018057     -5.780532      3.249189
  H      -7.077997     -4.224517      5.857630
  H      -5.164096     -5.983584      6.403643
  H      -7.108832     -7.786873      5.478920
  H      -8.428549     -7.791619      4.280006
  H     -10.084291     -7.231079      6.061665
  H      -8.756928     -7.117219      7.262882
  H      -7.214743     -2.767082      4.812695
  H      -8.619909     -2.417716      3.834831
  H      -6.800825     -0.716262      3.481768
  H      -5.735570     -2.015374      2.906470
  H      -6.727821     -0.857231      0.962988
  H      -8.358543     -1.128752      1.596641
  H      -6.375714     -3.302368      0.713134
  H      -7.866688     -2.838355     -0.127800
  H      -8.241957     -4.900904      1.196088
  H      -9.207862     -3.590124      1.858728
  H      -4.112952     -4.944313      7.593856
  H      -3.306396     -6.505268      7.760330
  H      -1.712247     -5.462785      9.441746
  H      -2.575654     -3.931286      9.273220
  H      -3.833660     -6.575084     10.203863
  H      -4.691956     -5.040560     10.030482
  H      -3.186527     -3.996479     11.759810
  H      -4.134019     -5.379554     12.383439
  H      -0.922125     -6.816489      6.578411
  H      -0.532550     -5.655380      7.823791
  H      -0.171629     -4.977574      4.875310
  H       1.124162     -5.721234      5.813191
  H       1.430664     -3.803366      7.179661
  H       0.938180     -3.034901      5.673325
  H      -0.537307     -1.979103      7.185104
  H      -0.595550     -3.365711      8.262124
  H      -2.757371     -2.987720      7.124109
  H      -1.983611     -3.180298      5.531757
  N      -4.780199     -2.750232      5.564721
  H      -3.943946     -2.204828      5.779682
  H      -5.086150     -3.204857      6.431096
  H      -5.506260     -2.086966      5.283007
  N      -5.562390     -5.546391      5.575320
  N      -6.945469     -5.236377      5.863253
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890692636659
  N      -3.138400     -3.559732      2.691323
  C      -2.749817     -4.487546      1.627156
  C      -2.603621     -5.889615      2.177126
  N      -3.844219     -6.236170      2.911203
  C      -4.946876     -6.530460      1.963061
  C      -6.260253     -6.083681      2.555063
  N      -6.181204     -4.702503      3.034047
  Mo     -4.372691     -4.511421      4.152140
  N      -2.882839     -5.429188      5.311839
  C      -2.708302     -6.848103      5.000493
  C      -3.648826     -7.320318      3.896870
  H      -2.881769     -7.507027      5.875857
  H      -1.664997     -7.052633      4.682391
  H      -4.639956     -7.541986      4.311509
  H      -3.245648     -8.223341      3.401088
  H      -7.027828     -6.211946      1.772264
  H      -6.538483     -6.774811      3.372219
  H      -4.750257     -5.969312      1.040706
  H      -4.949839     -7.607339      1.719059
  H      -1.784926     -4.229292      1.159750
  H      -3.485500     -4.484228      0.794365
  H      -1.767538     -5.920109      2.885660
  H      -2.418261     -6.630495      1.378208
  C      -2.736419     -2.174919      2.327019
  C      -1.217468     -2.065915      1.985738
  C      -0.262146     -2.843944      2.883327
  C       1.182257     -2.762223      2.380630
  C       2.100803     -3.850349      2.904827
  Cl      1.627573     -5.488661      2.275041
  C      -3.055145     -1.217826      3.487675
  C      -2.900702      0.272020      3.164047
  C      -3.719837      0.665523      1.933333
  C      -3.364542     -0.219298      0.737495
  C      -3.529827     -1.704430      1.074540
  C      -7.552529     -4.141490      3.133167
  C      -8.548583     -5.071957      3.941681
  C      -7.903975     -5.854636      5.038314
  C      -8.075886     -7.329445      5.196004
  C      -9.080889     -7.605388      6.307785
  Cl     -9.252206     -9.401354      6.649558
  C      -7.571366     -2.735630      3.767533
  C      -6.789470     -1.700783      2.967171
  C      -7.345812     -1.566594      1.549230
  C      -7.405351     -2.934356      0.865569
  C      -8.173283     -3.944086      1.716567
  C      -2.209453     -5.033582      6.591262
  C      -3.131744     -5.389538      7.787565
  C      -2.676441     -5.006813      9.196872
  C      -3.696672     -5.434634     10.251742
  C      -3.343499     -5.027609     11.669010
  Cl     -1.832422     -5.843654     12.260778
  C      -0.842208     -5.750663      6.767343
  C       0.228403     -5.116942      5.883876
  C       0.610497     -3.737488      6.449957
  C      -0.583151     -3.088107      7.175069
  C      -1.926774     -3.503202      6.566922
  H      -1.055003     -2.391459      0.944304
  H      -0.932970     -1.002889      1.989585
  H      -0.573509     -3.897181      2.917723
  H      -0.317184     -2.479072      3.920096
  H       1.198008     -2.795297      1.278515
  H       1.632787     -1.794616      2.666045
  H       2.070136     -3.937232      3.997071
  H       3.137264     -3.703136      2.580258
  H      -4.102449     -1.388050      3.765637
  H      -2.433784     -1.483787      4.358487
  H      -1.840318      0.525112      2.996074
  H      -3.218473      0.863970      4.037789
  H      -3.563240      1.728437      1.690690
  H      -4.794184      0.547981      2.161393
  H      -2.327298     -0.013336      0.422847
  H      -4.003030      0.032270     -0.125071
  H      -3.229277     -2.315802      0.210251
  H      -4.593569     -1.917052      1.252533
  H      -9.372348     -4.418920      4.296796
  H      -9.031576     -5.781227      3.248541
  H      -7.077389     -4.232908      5.841758
  H      -5.156669     -5.960781      6.411620
  H      -7.109666     -7.795131      5.462136
  H      -8.426961     -7.793110      4.261103
  H     -10.086755     -7.255451      6.049316
  H      -8.758208     -7.151061      7.251248
  H      -7.228838     -2.773338      4.812230
  H      -8.627952     -2.424013      3.827506
  H      -6.802553     -0.724711      3.481203
  H      -5.741319     -2.027942      2.905736
  H      -6.732158     -0.865009      0.961664
  H      -8.362186     -1.136038      1.595562
  H      -6.380110     -3.310327      0.711489
  H      -7.871579     -2.845816     -0.128760
  H      -8.248474     -4.908243      1.192776
  H      -9.212850     -3.597580      1.857402
  H      -4.101576     -4.900365      7.600852
  H      -3.323960     -6.477294      7.763681
  H      -1.706714     -5.466037      9.439584
  H      -2.532760     -3.914899      9.266955
  H      -3.850012     -6.525237     10.211572
  H      -4.676625     -4.974970     10.026625
  H      -3.148126     -3.950393     11.749649
  H      -4.127176     -5.307437     12.382552
  H      -0.940427     -6.826731      6.583806
  H      -0.534458     -5.660810      7.820204
  H      -0.177528     -5.010759      4.865494
  H       1.114710     -5.763515      5.801203
  H       1.450367     -3.841935      7.155112
  H       0.965385     -3.077696      5.643767
  H      -0.494036     -1.990579      7.149124
  H      -0.564224     -3.366440      8.239519
  H      -2.725646     -2.972529      7.108465
  H      -1.961951     -3.184677      5.513924
  N      -4.794570     -2.761279      5.565107
  H      -3.958319     -2.211963      5.770630
  H      -5.096106     -3.201875      6.440470
  H      -5.522227     -2.100465      5.280900
  N      -5.567688     -5.571741      5.565087
  N      -6.950917     -5.245717      5.857340
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890772922995
  N      -3.140052     -3.556828      2.687884
  C      -2.758874     -4.483169      1.620472
  C      -2.604009     -5.884623      2.168867
  N      -3.839311     -6.234909      2.909655
  C      -4.945795     -6.535344      1.967288
  C      -6.257416     -6.089487      2.565445
  N      -6.179413     -4.706048      3.037419
  Mo     -4.369640     -4.511496      4.152839
  N      -2.876759     -5.424956      5.310549
  C      -2.694339     -6.842418      4.996834
  C      -3.634347     -7.318328      3.894361
  H      -2.864661     -7.502956      5.871580
  H      -1.649959     -7.040618      4.678094
  H      -4.622891     -7.546237      4.312086
  H      -3.227438     -8.218779      3.396928
  H      -7.029283     -6.224313      1.787987
  H      -6.527084     -6.778139      3.388022
  H      -4.755663     -5.977061      1.041606
  H      -4.946756     -7.613135      1.727503
  H      -1.799536     -4.221440      1.143274
  H      -3.502637     -4.483602      0.794486
  H      -1.764202     -5.913380      2.873218
  H      -2.420998     -6.624954      1.368964
  C      -2.734867     -2.173888      2.323520
  C      -1.216839     -2.072229      1.975456
  C      -0.260256     -2.847785      2.873478
  C       1.182312     -2.773585      2.363913
  C       2.101063     -3.858236      2.895389
  Cl      1.619213     -5.503201      2.288656
  C      -3.045332     -1.214584      3.484756
  C      -2.886197      0.274218      3.159585
  C      -3.707738      0.670448      1.931323
  C      -3.359226     -0.216494      0.734967
  C      -3.530211     -1.700481      1.073270
  C      -7.551479     -4.144797      3.135665
  C      -8.547645     -5.075764      3.942512
  C      -7.903733     -5.857985      5.039531
  C      -8.086328     -7.330549      5.205805
  C      -9.096249     -7.595378      6.315964
  Cl     -9.281307     -9.389239      6.661145
  C      -7.570710     -2.739739      3.772258
  C      -6.787720     -1.703426      2.974961
  C      -7.342598     -1.566757      1.556743
  C      -7.400990     -2.933186      0.870467
  C      -8.169446     -3.945379      1.718356
  C      -2.207973     -5.029349      6.592432
  C      -3.131088     -5.395553      7.785337
  C      -2.682087     -5.016294      9.197596
  C      -3.704960     -5.450243     10.247544
  C      -3.358747     -5.046066     11.667224
  Cl     -1.846038     -5.856706     12.261982
  C      -0.835810     -5.738155      6.767162
  C       0.231178     -5.094255      5.886539
  C       0.603491     -3.713960      6.457653
  C      -0.594923     -3.075290      7.184121
  C      -1.935716     -3.496966      6.574179
  H      -1.060284     -2.405413      0.935468
  H      -0.929775     -1.009830      1.971860
  H      -0.574069     -3.899882      2.915295
  H      -0.309845     -2.476894      3.908645
  H       1.192583     -2.817193      1.262257
  H       1.636024     -1.804402      2.638283
  H       2.075990     -3.931084      3.988721
  H       3.136157     -3.718612      2.563304
  H      -4.092105     -1.381154      3.766417
  H      -2.421890     -1.482547      4.353407
  H      -1.825510      0.523454      2.987154
  H      -3.197772      0.868154      4.034258
  H      -3.546968      1.732669      1.687994
  H      -4.782063      0.558176      2.162080
  H      -2.321696     -0.014968      0.418388
  H      -3.997861      0.037738     -0.126683
  H      -3.235517     -2.314253      0.208526
  H      -4.594368     -1.908716      1.255087
  H      -9.372697     -4.423045      4.295729
  H      -9.028458     -5.785682      3.248044
  H      -7.066344     -4.236870      5.824126
  H      -5.150304     -5.963047      6.413348
  H      -7.125224     -7.803262      5.476508
  H      -8.439310     -7.797397      4.272942
  H     -10.099360     -7.239778      6.053892
  H      -8.774269     -7.141904      7.260079
  H      -7.229382     -2.778792      4.817569
  H      -8.627394     -2.428319      3.832140
  H      -6.801413     -0.728520      3.491007
  H      -5.739735     -2.031232      2.913931
  H      -6.729156     -0.863642      0.970719
  H      -8.359148     -1.136434      1.602848
  H      -6.375420     -3.308371      0.716629
  H      -7.866827     -2.843194     -0.123857
  H      -8.242319     -4.908575      1.192419
  H      -9.209913     -3.600894      1.858202
  H      -4.103009     -4.910412      7.598798
  H      -3.318140     -6.484058      7.755733
  H      -1.712066     -5.473316      9.443428
  H      -2.541461     -3.924305      9.272399
  H      -3.854309     -6.541251     10.203719
  H      -4.685564     -4.993317     10.019450
  H      -3.169099     -3.968154     11.751773
  H      -4.143870     -5.332047     12.376689
  H      -0.927032     -6.814285      6.579937
  H      -0.529879     -5.649843      7.820461
  H      -0.174850     -4.987651      4.868093
  H       1.121614     -5.734906      5.802164
  H       1.443849     -3.814994      7.162708
  H       0.954061     -3.049329      5.653782
  H      -0.512565     -1.977139      7.162747
  H      -0.574735     -3.358025      8.247355
  H      -2.737536     -2.973678      7.118686
  H      -1.973633     -3.173790      5.522583
  N      -4.797852     -2.765860      5.568409
  H      -3.961969     -2.216500      5.775358
  H      -5.104195     -3.200770      6.444862
  H      -5.522920     -2.104945      5.277934
  N      -5.561987     -5.581526      5.563593
  N      -6.945773     -5.250428      5.852974
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890830970246
  N      -3.143129     -3.553857      2.684206
  C      -2.767028     -4.479293      1.614371
  C      -2.605534     -5.880444      2.161386
  N      -3.836748     -6.233966      2.907063
  C      -4.946804     -6.538259      1.969607
  C      -6.255959     -6.093323      2.575206
  N      -6.177773     -4.708012      3.041858
  Mo     -4.366934     -4.511979      4.152701
  N      -2.870867     -5.422213      5.306720
  C      -2.684410     -6.839138      4.992219
  C      -3.624787     -7.317205      3.890917
  H      -2.852987     -7.500508      5.866842
  H      -1.639498     -7.033957      4.673150
  H      -4.611226     -7.549879      4.311360
  H      -3.215584     -8.215448      3.391346
  H      -7.033893     -6.233173      1.804637
  H      -6.515995     -6.779416      3.403497
  H      -4.762354     -5.981730      1.041621
  H      -4.947370     -7.616564      1.732597
  H      -1.812273     -4.214427      1.129601
  H      -3.517357     -4.482731      0.793949
  H      -1.763466     -5.907198      2.863426
  H      -2.423273     -6.620245      1.360903
  C      -2.737209     -2.171442      2.322179
  C      -1.219552     -2.073951      1.973268
  C      -0.266187     -2.853826      2.870473
  C       1.177529     -2.782010      2.363714
  C       2.093793     -3.867597      2.897546
  Cl      1.609301     -5.513219      2.293636
  C      -3.046042     -1.213967      3.485690
  C      -2.884596      0.275221      3.163293
  C      -3.706413      0.674946      1.936024
  C      -3.358881     -0.209703      0.737655
  C      -3.532170     -1.694162      1.072930
  C      -7.548435     -4.146576      3.136547
  C      -8.544246     -5.076216      3.943587
  C      -7.904234     -5.855842      5.044190
  C      -8.091558     -7.327048      5.216354
  C      -9.104527     -7.583193      6.326186
  Cl     -9.299312     -9.374773      6.679324
  C      -7.571950     -2.739765      3.769890
  C      -6.789796     -1.702733      2.972192
  C      -7.340204     -1.571287      1.552035
  C      -7.393074     -2.939787      0.869243
  C      -8.162107     -3.951837      1.717251
  C      -2.203737     -5.027270      6.589393
  C      -3.128904     -5.397837      7.779448
  C      -2.683191     -5.023275      9.194034
  C      -3.710797     -5.455445     10.240017
  C      -3.367430     -5.055397     11.661541
  Cl     -1.857593     -5.869694     12.258430
  C      -0.829533     -5.732616      6.764568
  C       0.237348     -5.083873      5.887035
  C       0.604974     -3.704160      6.462977
  C      -0.596706     -3.069968      7.187804
  C      -1.935462     -3.493889      6.574631
  H      -1.065157     -2.407052      0.932829
  H      -0.928793     -1.012485      1.970512
  H      -0.583283     -3.905026      2.909820
  H      -0.316249     -2.485011      3.906675
  H       1.189488     -2.825708      1.262140
  H       1.631901     -1.813453      2.638671
  H       2.068546     -3.937874      3.991023
  H       3.129248     -3.730400      2.565555
  H      -4.092745     -1.380315      3.767493
  H      -2.422692     -1.484823      4.353425
  H      -1.823682      0.522796      2.989806
  H      -3.193763      0.868359      4.039358
  H      -3.544130      1.737518      1.694719
  H      -4.780894      0.563589      2.166723
  H      -2.320683     -0.009304      0.422598
  H      -3.996024      0.047814     -0.124086
  H      -3.238382     -2.306994      0.207008
  H      -4.596660     -1.901449      1.254258
  H      -9.370192     -4.421553      4.291870
  H      -9.022827     -5.789230      3.250117
  H      -7.047490     -4.238936      5.811360
  H      -5.140641     -5.953283      6.418438
  H      -7.133765     -7.803589      5.490838
  H      -8.446409     -7.797703      4.285987
  H     -10.106299     -7.225567      6.060743
  H      -8.784551     -7.127488      7.269885
  H      -7.233068     -2.774209      4.816191
  H      -8.629358     -2.430373      3.827033
  H      -6.808414     -0.726536      3.485641
  H      -5.740263     -2.027347      2.916347
  H      -6.726469     -0.868181      0.966249
  H      -8.358061     -1.143407      1.593772
  H      -6.365867     -3.312592      0.720429
  H      -7.855106     -2.853852     -0.127121
  H      -8.229584     -4.916736      1.193528
  H      -9.204218     -3.609825      1.851457
  H      -4.099998     -4.910765      7.592817
  H      -3.317103     -6.485925      7.745217
  H      -1.715748     -5.484659      9.442162
  H      -2.538347     -3.932063      9.271731
  H      -3.863245     -6.545960     10.193576
  H      -4.689283     -4.994857     10.009979
  H      -3.176587     -3.977983     11.749208
  H      -4.154803     -5.341987     12.368146
  H      -0.917454     -6.808838      6.576188
  H      -0.524871     -5.644621      7.818200
  H      -0.166359     -4.974856      4.867912
  H       1.129586     -5.721984      5.802523
  H       1.444054     -3.804348      7.169680
  H       0.955626     -3.036590      5.661703
  H      -0.516643     -1.971618      7.169946
  H      -0.578773     -3.355604      8.250317
  H      -2.739334     -2.974053      7.119535
  H      -1.972794     -3.168427      5.523608
  N      -4.797173     -2.769956      5.572715
  H      -3.958855     -2.224350      5.780137
  H      -5.109450     -3.197893      6.450197
  H      -5.516548     -2.105369      5.276628
  N      -5.555157     -5.595639      5.559831
  N      -6.936634     -5.253597      5.849702
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890873130008
  N      -3.149434     -3.552629      2.680349
  C      -2.781782     -4.476809      1.606705
  C      -2.609022     -5.877117      2.152497
  N      -3.833475     -6.236564      2.906513
  C      -4.948545     -6.549213      1.976791
  C      -6.254440     -6.104156      2.590174
  N      -6.175908     -4.714926      3.046405
  Mo     -4.365652     -4.514456      4.153739
  N      -2.864291     -5.419516      5.305953
  C      -2.668253     -6.834317      4.987568
  C      -3.609817     -7.317926      3.889977
  H      -2.828858     -7.498720      5.861304
  H      -1.623064     -7.020688      4.664520
  H      -4.592765     -7.557212      4.314703
  H      -3.197359     -8.213397      3.388168
  H      -7.040587     -6.252404      1.829927
  H      -6.502842     -6.783947      3.427462
  H      -4.771869     -5.997733      1.044453
  H      -4.948133     -7.628852      1.746477
  H      -1.834545     -4.207242      1.110184
  H      -3.542524     -4.484596      0.795890
  H      -1.762370     -5.899727      2.849234
  H      -2.428122     -6.615915      1.350804
  C      -2.740027     -2.170646      2.321636
  C      -1.222388     -2.074827      1.971419
  C      -0.269270     -2.859621      2.864211
  C       1.174494     -2.783896      2.358780
  C       2.094819     -3.864035      2.896135
  Cl      1.618414     -5.513405      2.296051
  C      -3.046617     -1.215704      3.487880
  C      -2.880907      0.273957      3.169558
  C      -3.700934      0.679411      1.942765
  C      -3.355467     -0.203140      0.742333
  C      -3.534086     -1.687888      1.073799
  C      -7.545964     -4.149363      3.134665
  C      -8.545053     -5.074668      3.943469
  C      -7.907242     -5.853458      5.045165
  C      -8.111832     -7.320964      5.226742
  C      -9.139314     -7.556341      6.328169
  Cl     -9.365224     -9.342755      6.691114
  C      -7.571241     -2.739926      3.762356
  C      -6.786726     -1.705604      2.963317
  C      -7.334152     -1.579006      1.541820
  C      -7.383964     -2.949869      0.863570
  C      -8.154473     -3.960263      1.712574
  C      -2.199326     -5.025098      6.590264
  C      -3.122007     -5.404402      7.779124
  C      -2.675209     -5.036431      9.195114
  C      -3.704449     -5.468977     10.239247
  C      -3.361756     -5.072590     11.662016
  Cl     -1.853244     -5.889654     12.258469
  C      -0.821282     -5.722969      6.764866
  C       0.242575     -5.067109      5.889015
  C       0.601818     -3.685683      6.466652
  C      -0.602846     -3.060781      7.194541
  C      -1.939473     -3.490219      6.580548
  H      -1.070333     -2.403635      0.929272
  H      -0.929344     -1.013965      1.972244
  H      -0.586411     -3.910709      2.897652
  H      -0.319842     -2.496489      3.902341
  H       1.187519     -2.830299      1.257237
  H       1.624397     -1.812552      2.631502
  H       2.069617     -3.931542      3.989762
  H       3.129787     -3.722849      2.564240
  H      -4.093503     -1.380810      3.769712
  H      -2.423554     -1.490776      4.354400
  H      -1.819171      0.518331      2.996832
  H      -3.188345      0.865927      4.046956
  H      -3.534854      1.741926      1.703962
  H      -4.775896      0.571108      2.172643
  H      -2.316119     -0.005910      0.429014
  H      -3.990611      0.059148     -0.119384
  H      -3.242185     -2.299817      0.206484
  H      -4.599325     -1.891626      1.254062
  H      -9.370224     -4.417638      4.289489
  H      -9.024223     -5.788779      3.251534
  H      -7.030894     -4.240554      5.792808
  H      -5.138499     -5.963489      6.419094
  H      -7.162177     -7.805322      5.515529
  H      -8.462763     -7.796122      4.297110
  H     -10.133219     -7.186179      6.050743
  H      -8.823107     -7.099223      7.272436
  H      -7.237488     -2.769252      4.810557
  H      -8.628786     -2.430359      3.813954
  H      -6.806192     -0.727571      3.473255
  H      -5.736891     -2.030629      2.911596
  H      -6.719705     -0.877292      0.955251
  H      -8.352514     -1.152116      1.580330
  H      -6.355776     -3.321657      0.719314
  H      -7.842483     -2.867869     -0.134738
  H      -8.216685     -4.927305      1.192400
  H      -9.197983     -3.619747      1.839667
  H      -4.093972     -4.917567      7.596073
  H      -3.308180     -6.492590      7.739135
  H      -1.709460     -5.502240      9.441566
  H      -2.526460     -3.946032      9.276630
  H      -3.858420     -6.559204     10.190324
  H      -4.681944     -5.006466     10.009500
  H      -3.169945     -3.995573     11.752318
  H      -4.149880     -5.359987     12.367435
  H      -0.902836     -6.799431      6.575344
  H      -0.517371     -5.634260      7.818704
  H      -0.160674     -4.959462      4.869768
  H       1.138608     -5.700004      5.804752
  H       1.442785     -3.780729      7.171788
  H       0.946456     -3.013940      5.665942
  H      -0.528930     -1.961981      7.181159
  H      -0.583164     -3.350533      8.255987
  H      -2.746288     -2.976663      7.127070
  H      -1.978313     -3.161918      5.530522
  N      -4.802705     -2.775723      5.574855
  H      -3.963530     -2.230966      5.781693
  H      -5.118713     -3.196287      6.454491
  H      -5.518707     -2.110138      5.272724
  N      -5.551305     -5.610310      5.557729
  N      -6.931845     -5.255688      5.843274
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890908493224
  N      -3.153563     -3.551538      2.676728
  C      -2.790762     -4.473656      1.599608
  C      -2.610782     -5.874114      2.143525
  N      -3.830529     -6.238124      2.903430
  C      -4.949794     -6.555638      1.980123
  C      -6.252924     -6.111813      2.600023
  N      -6.174520     -4.720108      3.050142
  Mo     -4.362822     -4.517468      4.153115
  N      -2.857088     -5.418206      5.301840
  C      -2.655696     -6.831801      4.980643
  C      -3.598638     -7.318679      3.885746
  H      -2.810955     -7.498034      5.853851
  H      -1.610545     -7.012906      4.654639
  H      -4.579106     -7.561757      4.313634
  H      -3.184388     -8.212077      3.381776
  H      -7.045108     -6.265781      1.847527
  H      -6.492606     -6.787441      3.443291
  H      -4.779266     -6.006253      1.045495
  H      -4.948688     -7.635894      1.752982
  H      -1.848349     -4.200363      1.096146
  H      -3.557860     -4.483526      0.794939
  H      -1.760962     -5.894335      2.836474
  H      -2.430918     -6.611786      1.340532
  C      -2.742058     -2.168998      2.322677
  C      -1.224517     -2.073557      1.971947
  C      -0.272026     -2.862011      2.862091
  C       1.171973     -2.783332      2.358489
  C       2.094656     -3.860399      2.897440
  Cl      1.624184     -5.511297      2.297562
  C      -3.046876     -1.218400      3.492824
  C      -2.879278      0.272274      3.180374
  C      -3.698674      0.683902      1.955125
  C      -3.354640     -0.194570      0.751290
  C      -3.536202     -1.680234      1.077168
  C      -7.544335     -4.153332      3.134605
  C      -8.544780     -5.076770      3.944407
  C      -7.908093     -5.851650      5.049622
  C      -8.119348     -7.316737      5.238943
  C      -9.151567     -7.539381      6.338711
  Cl     -9.390788     -9.322734      6.712361
  C      -7.571398     -2.742846      3.759578
  C      -6.787392     -1.708916      2.959341
  C      -7.334780     -1.585013      1.537700
  C      -7.381539     -2.956985      0.861503
  C      -8.150866     -3.967774      1.711155
  C      -2.194243     -5.024387      6.587592
  C      -3.120633     -5.403013      7.773639
  C      -2.677872     -5.037908      9.191490
  C      -3.714158     -5.465447     10.230618
  C      -3.375812     -5.071722     11.655242
  Cl     -1.873843     -5.896259     12.257851
  C      -0.817107     -5.722476      6.766277
  C       0.248370     -5.069848      5.890133
  C       0.607421     -3.686645      6.463918
  C      -0.596850     -3.060312      7.191318
  C      -1.933683     -3.489591      6.577662
  H      -1.073672     -2.399081      0.928586
  H      -0.929607     -1.013214      1.975329
  H      -0.589309     -3.913176      2.891098
  H      -0.323763     -2.502891      3.901452
  H       1.186620     -2.830466      1.256931
  H       1.618540     -1.810330      2.630980
  H       2.069088     -3.927590      3.991128
  H       3.129440     -3.715994      2.566273
  H      -4.093777     -1.383718      3.774841
  H      -2.423606     -1.497906      4.357788
  H      -1.817095      0.515086      3.008254
  H      -3.185490      0.861494      4.060001
  H      -3.530812      1.746958      1.720264
  H      -4.773802      0.576401      2.184685
  H      -2.314735      0.001531      0.439144
  H      -3.988925      0.072477     -0.109592
  H      -3.246189     -2.289746      0.207544
  H      -4.601714     -1.881954      1.257180
  H      -9.372315     -4.420293      4.285654
  H      -9.021323     -5.794675      3.254518
  H      -7.009358     -4.240322      5.772160
  H      -5.133102     -5.965040      6.417610
  H      -7.172240     -7.802340      5.534208
  H      -8.469737     -7.797084      4.311784
  H     -10.142190     -7.164463      6.056237
  H      -8.835366     -7.078384      7.281218
  H      -7.239256     -2.768979      4.808545
  H      -8.629286     -2.434289      3.809084
  H      -6.808061     -0.730182      3.467928
  H      -5.737044     -2.032467      2.908670
  H      -6.721298     -0.883049      0.950488
  H      -8.353923     -1.160073      1.575730
  H      -6.352464     -3.326895      0.718991
  H      -7.838726     -2.877374     -0.137625
  H      -8.208325     -4.936198      1.193175
  H      -9.195664     -3.629813      1.834174
  H      -4.090858     -4.913603      7.587725
  H      -3.309052     -6.490737      7.731737
  H      -1.715865     -5.509362      9.441636
  H      -2.523364     -3.948391      9.273824
  H      -3.873867     -6.554776     10.180299
  H      -4.688139     -4.997347      9.997061
  H      -3.179416     -3.995702     11.747330
  H      -4.168302     -5.355992     12.357015
  H      -0.898727     -6.799512      6.580402
  H      -0.514371     -5.630261      7.820161
  H      -0.152816     -4.965252      4.869814
  H       1.144308     -5.703381      5.809543
  H       1.448906     -3.779106      7.168763
  H       0.951331     -3.016471      5.661386
  H      -0.522389     -1.961568      7.177299
  H      -0.577737     -3.349262      8.253038
  H      -2.740564     -2.975605      7.123774
  H      -1.972073     -3.162411      5.527380
  N      -4.804198     -2.782218      5.577283
  H      -3.963766     -2.238294      5.781627
  H      -5.120429     -3.197003      6.459621
  H      -5.518699     -2.116150      5.272451
  N      -5.545685     -5.627575      5.549682
  N      -6.921699     -5.255638      5.835073
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890945133079
  N      -3.158351     -3.551642      2.674834
  C      -2.800213     -4.472690      1.595159
  C      -2.614051     -5.872686      2.138864
  N      -3.829010     -6.239385      2.905278
  C      -4.953100     -6.562171      1.989470
  C      -6.252667     -6.117976      2.615902
  N      -6.173592     -4.722409      3.055296
  Mo     -4.360405     -4.518171      4.155476
  N      -2.851304     -5.414665      5.301892
  C      -2.643434     -6.826763      4.977964
  C      -3.588655     -7.318095      3.887393
  H      -2.791303     -7.494511      5.851101
  H      -1.598441     -7.001685      4.647811
  H      -4.566574     -7.563819      4.319209
  H      -3.173517     -8.210377      3.382226
  H      -7.052315     -6.280193      1.873405
  H      -6.482235     -6.786038      3.468036
  H      -4.788881     -6.015885      1.051909
  H      -4.951956     -7.643331      1.766670
  H      -1.862101     -4.196636      1.085341
  H      -3.573214     -4.484719      0.796375
  H      -1.760961     -5.889994      2.827832
  H      -2.435883     -6.610441      1.335530
  C      -2.745184     -2.168897      2.322548
  C      -1.227903     -2.074334      1.970897
  C      -0.275378     -2.866314      2.857912
  C       1.168589     -2.781342      2.356341
  C       2.097067     -3.851598      2.898460
  Cl      1.639202     -5.505598      2.298704
  C      -3.048706     -1.220021      3.494250
  C      -2.879819      0.270989      3.184258
  C      -3.698427      0.685575      1.959533
  C      -3.355538     -0.191579      0.754355
  C      -3.539528     -1.677447      1.078240
  C      -7.543027     -4.153718      3.132239
  C      -8.547077     -5.074058      3.942188
  C      -7.913333     -5.842161      5.054851
  C      -8.127756     -7.305325      5.251828
  C      -9.170205     -7.516320      6.344108
  Cl     -9.421346     -9.296887      6.728043
  C      -7.572265     -2.740807      3.751204
  C      -6.785844     -1.710037      2.949343
  C      -7.330277     -1.591645      1.526043
  C      -7.373438     -2.966239      0.854906
  C      -8.144104     -3.975097      1.705638
  C      -2.190414     -5.022324      6.589259
  C      -3.116883     -5.406749      7.773239
  C      -2.675331     -5.047724      9.192945
  C      -3.713410     -5.478769     10.228721
  C      -3.375737     -5.093508     11.655883
  Cl     -1.876047     -5.924410     12.255543
  C      -0.812644     -5.718117      6.766541
  C       0.251197     -5.063810      5.889865
  C       0.607441     -3.678788      6.461469
  C      -0.595420     -3.056954      7.194807
  C      -1.932801     -3.486956      6.583166
  H      -1.078588     -2.396899      0.926378
  H      -0.930656     -1.014679      1.976027
  H      -0.591180     -3.918163      2.881127
  H      -0.329277     -2.512370      3.898819
  H       1.185435     -2.831110      1.254838
  H       1.608381     -1.804615      2.626954
  H       2.070323     -3.918426      3.992160
  H       3.131465     -3.700117      2.569124
  H      -4.095764     -1.384976      3.776580
  H      -2.425452     -1.501612      4.358555
  H      -1.817204      0.512215      3.012770
  H      -3.185646      0.859289      4.064596
  H      -3.529329      1.748691      1.726185
  H      -4.773668      0.578811      2.189012
  H      -2.315284      0.003090      0.442551
  H      -3.989459      0.077800     -0.106081
  H      -3.251515     -2.286519      0.207706
  H      -4.605280     -1.876718      1.258658
  H      -9.379263     -4.419242      4.274213
  H      -9.017665     -5.798035      3.254551
  H      -6.993061     -4.231574      5.748469
  H      -5.137215     -5.971017      6.416738
  H      -7.183086     -7.788007      5.559639
  H      -8.470523     -7.793063      4.325640
  H     -10.156376     -7.138469      6.050672
  H      -8.859434     -7.050372      7.286045
  H      -7.243910     -2.761477      4.801377
  H      -8.630355     -2.432208      3.795276
  H      -6.807884     -0.729549      3.454545
  H      -5.735151     -2.032915      2.902593
  H      -6.716215     -0.891075      0.937793
  H      -8.350032     -1.168068      1.560767
  H      -6.343436     -3.335332      0.717016
  H      -7.827097     -2.890899     -0.146198
  H      -8.195117     -4.946374      1.192355
  H      -9.190432     -3.639473      1.821110
  H      -4.087603     -4.918376      7.587632
  H      -3.303167     -6.494695      7.726670
  H      -1.714271     -5.521780      9.441573
  H      -2.519493     -3.958729      9.279580
  H      -3.875589     -6.567410     10.172305
  H      -4.686156     -5.007107      9.997261
  H      -3.177252     -4.018423     11.754290
  H      -4.169404     -5.380178     12.355396
  H      -0.892436     -6.795369      6.580629
  H      -0.509050     -5.625476      7.820130
  H      -0.149657     -4.961719      4.869159
  H       1.148609     -5.695406      5.810607
  H       1.452880     -3.766993      7.162124
  H       0.944505     -3.007047      5.657237
  H      -0.523138     -1.958026      7.184204
  H      -0.572960     -3.349234      8.255598
  H      -2.739929     -2.976141      7.131837
  H      -1.973388     -3.158289      5.533497
  N      -4.806732     -2.782957      5.579173
  H      -3.964011     -2.243479      5.785908
  H      -5.127711     -3.194573      6.461453
  H      -5.516748     -2.113935      5.270454
  N      -5.543968     -5.637004      5.544501
  N      -6.916460     -5.246270      5.825142
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.890976135921
  N      -3.162688     -3.551102      2.668348
  C      -2.810756     -4.469910      1.584658
  C      -2.617972     -5.869971      2.126192
  N      -3.826196     -6.239447      2.901645
  C      -4.956820     -6.567262      1.995520
  C      -6.252271     -6.124112      2.631021
  N      -6.173484     -4.725024      3.059786
  Mo     -4.354998     -4.519047      4.154608
  N      -2.840318     -5.410768      5.295587
  C      -2.625839     -6.821145      4.967473
  C      -3.574789     -7.316758      3.882476
  H      -2.764878     -7.490902      5.840290
  H      -1.581519     -6.989147      4.631386
  H      -4.549384     -7.565710      4.320025
  H      -3.159066     -8.207607      3.375339
  H      -7.059414     -6.295280      1.898882
  H      -6.469976     -6.785575      3.491568
  H      -4.801506     -6.022942      1.055157
  H      -4.954598     -7.649084      1.775766
  H      -1.877140     -4.191191      1.068120
  H      -3.590092     -4.483065      0.792115
  H      -1.759740     -5.885849      2.808820
  H      -2.444337     -6.607274      1.321424
  C      -2.746809     -2.168168      2.319128
  C      -1.229293     -2.075534      1.968791
  C      -0.278856     -2.870516      2.855283
  C       1.166064     -2.781617      2.357963
  C       2.097890     -3.845075      2.907720
  Cl      1.651235     -5.503194      2.311587
  C      -3.048864     -1.222317      3.493496
  C      -2.877272      0.269259      3.188226
  C      -3.693617      0.689264      1.963985
  C      -3.351395     -0.184978      0.756399
  C      -3.539240     -1.671346      1.075697
  C      -7.543547     -4.155566      3.133366
  C      -8.548812     -5.072071      3.946846
  C      -7.914237     -5.833327      5.065589
  C      -8.134803     -7.293366      5.276685
  C      -9.181463     -7.488458      6.367599
  Cl     -9.445192     -9.265015      6.764534
  C      -7.573076     -2.739425      3.745324
  C      -6.786314     -1.712774      2.938982
  C      -7.332275     -1.600571      1.515581
  C      -7.374212     -2.977978      0.850377
  C      -8.143409     -3.984527      1.705111
  C      -2.184660     -5.020700      6.586728
  C      -3.115167     -5.411342      7.765261
  C      -2.679871     -5.057051      9.187965
  C      -3.722031     -5.493406     10.217404
  C      -3.389625     -5.116858     11.648107
  Cl     -1.893176     -5.953026     12.248680
  C      -0.806017     -5.713406      6.767162
  C       0.259067     -5.055633      5.894831
  C       0.608974     -3.669085      6.466938
  C      -0.595961     -3.053595      7.201913
  C      -1.931093     -3.484579      6.586507
  H      -1.079454     -2.396485      0.923836
  H      -0.930034     -1.016447      1.975738
  H      -0.593833     -3.922786      2.873613
  H      -0.336319     -2.520237      3.897200
  H       1.186840     -2.836364      1.256766
  H       1.599955     -1.801395      2.625599
  H       2.066810     -3.908467      4.001555
  H       3.132913     -3.689145      2.582423
  H      -4.096453     -1.386233      3.775057
  H      -2.426665     -1.507698      4.357358
  H      -1.813936      0.508940      3.018886
  H      -3.183207      0.855379      4.069986
  H      -3.522259      1.752799      1.734318
  H      -4.769335      0.583885      2.191927
  H      -2.310482      0.008459      0.446103
  H      -3.984030      0.088421     -0.103738
  H      -3.252972     -2.278777      0.203528
  H      -4.605551     -1.867776      1.255234
  H      -9.384869     -4.419017      4.271569
  H      -9.015296     -5.802159      3.262617
  H      -6.968919     -4.223277      5.718104
  H      -5.134027     -5.982678      6.410491
  H      -7.191960     -7.774258      5.592506
  H      -8.475902     -7.789937      4.354425
  H     -10.164119     -7.106202      6.068379
  H      -8.869335     -7.017561      7.306675
  H      -7.245119     -2.753386      4.795751
  H      -8.631279     -2.430829      3.787062
  H      -6.807716     -0.730369      3.440439
  H      -5.735805     -2.035989      2.892562
  H      -6.719853     -0.901644      0.923639
  H      -8.352457     -1.178044      1.549939
  H      -6.343964     -3.346632      0.713359
  H      -7.828505     -2.907271     -0.150806
  H      -8.190148     -4.958661      1.196840
  H      -9.190877     -3.651497      1.817481
  H      -4.086457     -4.925379      7.576578
  H      -3.297909     -6.499727      7.713824
  H      -1.719388     -5.531325      9.438458
  H      -2.525306     -3.968227      9.279313
  H      -3.885173     -6.581489     10.153956
  H      -4.693497     -5.019371      9.985154
  H      -3.190386     -4.042594     11.753719
  H      -4.186379     -5.406953     12.342726
  H      -0.882446     -6.790535      6.579337
  H      -0.506169     -5.621822      7.821931
  H      -0.138002     -4.955881      4.872401
  H       1.158663     -5.684608      5.819818
  H       1.455661     -3.753280      7.166597
  H       0.941762     -2.995150      5.662814
  H      -0.526529     -1.954438      7.195841
  H      -0.573897     -3.350240      8.261550
  H      -2.740719     -2.977739      7.135297
  H      -1.970118     -3.153195      5.537528
  N      -4.805903     -2.785225      5.578885
  H      -3.962162     -2.247303      5.785447
  H      -5.126870     -3.195056      6.462170
  H      -5.515104     -2.115770      5.269350
  N      -5.535899     -5.647931      5.535938
  N      -6.903354     -5.236592      5.814200
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891004071153
  N      -3.167525     -3.550898      2.666024
  C      -2.821232     -4.467691      1.578662
  C      -2.623867     -5.868138      2.117569
  N      -3.825545     -6.239047      2.901624
  C      -4.962110     -6.571248      2.004537
  C      -6.254087     -6.128209      2.647311
  N      -6.175296     -4.725487      3.063448
  Mo     -4.352273     -4.519323      4.156744
  N      -2.833317     -5.406614      5.294562
  C      -2.612352     -6.815236      4.962104
  C      -3.564117     -7.314895      3.881720
  H      -2.743523     -7.487209      5.834249
  H      -1.568437     -6.976567      4.621035
  H      -4.535933     -7.566647      4.324197
  H      -3.147354     -8.204500      3.373324
  H      -7.067146     -6.308746      1.924026
  H      -6.461042     -6.782112      3.516558
  H      -4.814904     -6.028991      1.061484
  H      -4.958710     -7.653703      1.787658
  H      -1.890567     -4.187351      1.057468
  H      -3.605281     -4.480435      0.790704
  H      -1.760419     -5.883985      2.793753
  H      -2.455938     -6.604997      1.311166
  C      -2.749131     -2.168312      2.317626
  C      -1.231854     -2.078702      1.966111
  C      -0.281148     -2.873869      2.851996
  C       1.163148     -2.783583      2.353658
  C       2.099462     -3.839216      2.911241
  Cl      1.660090     -5.503208      2.326212
  C      -3.048617     -1.222742      3.492828
  C      -2.873719      0.268744      3.189094
  C      -3.688669      0.691669      1.965107
  C      -3.348370     -0.182199      0.756650
  C      -3.539979     -1.668463      1.074410
  C      -7.545326     -4.155538      3.130105
  C      -8.553305     -5.066980      3.944907
  C      -7.920752     -5.819817      5.072679
  C      -8.144238     -7.277253      5.297374
  C      -9.192341     -7.461423      6.388286
  Cl     -9.461889     -9.235147      6.795043
  C      -7.576672     -2.735079      3.733222
  C      -6.785681     -1.714336      2.924118
  C      -7.327835     -1.609588      1.498518
  C      -7.367887     -2.990523      0.840784
  C      -8.139507     -3.992932      1.698265
  C      -2.182243     -5.018534      6.589020
  C      -3.112606     -5.418834      7.764289
  C      -2.678382     -5.071276      9.189053
  C      -3.718624     -5.517432     10.216242
  C      -3.384635     -5.153245     11.649708
  Cl     -1.887417     -5.994769     12.240946
  C      -0.800442     -5.705129      6.768424
  C       0.262248     -5.039397      5.899386
  C       0.603556     -3.651538      6.473831
  C      -0.603481     -3.046701      7.213677
  C      -1.936356     -3.481016      6.596259
  H      -1.083190     -2.401074      0.921408
  H      -0.931235     -1.019950      1.971691
  H      -0.595672     -3.926302      2.870226
  H      -0.338320     -2.523368      3.893976
  H       1.183830     -2.846813      1.252940
  H       1.593062     -1.799538      2.613636
  H       2.067703     -3.895262      4.005438
  H       3.134059     -3.680906      2.585757
  H      -4.096585     -1.384266      3.774494
  H      -2.426997     -1.510253      4.356368
  H      -1.809756      0.506480      3.020849
  H      -3.179145      0.854488      4.071321
  H      -3.515000      1.755156      1.736818
  H      -4.764729      0.588513      2.192581
  H      -2.307136      0.009435      0.446390
  H      -3.980568      0.093447     -0.103106
  H      -3.255383     -2.275685      0.201582
  H      -4.606889     -1.861969      1.253441
  H      -9.393678     -4.414820      4.258863
  H      -9.013454     -5.804002      3.263472
  H      -6.946215     -4.211693      5.673493
  H      -5.138584     -5.986669      6.405307
  H      -7.201267     -7.754239      5.618440
  H      -8.483679     -7.781760      4.378589
  H     -10.173429     -7.077868      6.085716
  H      -8.878856     -6.986649      7.324830
  H      -7.253288     -2.740286      4.785181
  H      -8.634987     -2.425940      3.768247
  H      -6.807110     -0.729386      3.420470
  H      -5.735642     -2.039567      2.882240
  H      -6.714399     -0.913597      0.904094
  H      -8.348138     -1.186925      1.528285
  H      -6.337361     -3.360017      0.708266
  H      -7.819738     -2.925141     -0.161877
  H      -8.182197     -4.970163      1.195527
  H      -9.187924     -3.661013      1.805002
  H      -4.085672     -4.935940      7.577566
  H      -3.290875     -6.507707      7.706658
  H      -1.716232     -5.544075      9.436048
  H      -2.527172     -3.982543      9.286871
  H      -3.881114     -6.605039     10.143613
  H      -4.690756     -5.042230      9.989393
  H      -3.185167     -4.079928     11.764372
  H      -4.180636     -5.449423     12.342667
  H      -0.871367     -6.781805      6.576046
  H      -0.502366     -5.616542      7.823966
  H      -0.134068     -4.941320      4.876514
  H       1.165379     -5.663317      5.825196
  H       1.453096     -3.730982      7.170590
  H       0.928621     -2.973333      5.670201
  H      -0.539598     -1.947182      7.213614
  H      -0.578816     -3.349336      8.271563
  H      -2.748546     -2.980743      7.147318
  H      -1.976455     -3.145229      5.548562
  N      -4.809537     -2.787386      5.581068
  H      -3.963495     -2.255232      5.792991
  H      -5.137469     -3.194800      6.463117
  H      -5.512982     -2.113398      5.268353
  N      -5.533390     -5.661308      5.523959
  N      -6.894489     -5.222520      5.796029
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891023795170
  N      -3.168615     -3.550964      2.662469
  C      -2.826008     -4.467360      1.573507
  C      -2.627519     -5.868138      2.110857
  N      -3.825049     -6.238280      2.901029
  C      -4.965631     -6.571808      2.009193
  C      -6.255169     -6.128155      2.657070
  N      -6.175908     -4.723554      3.065619
  Mo     -4.348246     -4.517424      4.157209
  N      -2.826300     -5.404504      5.292087
  C      -2.602882     -6.812078      4.957126
  C      -3.558152     -7.313327      3.880850
  H      -2.728405     -7.485431      5.828996
  H      -1.559926     -6.970564      4.611480
  H      -4.528030     -7.566344      4.327148
  H      -3.142272     -8.202891      3.371644
  H      -7.072034     -6.314122      1.939343
  H      -6.454694     -6.778119      3.531095
  H      -4.823448     -6.030281      1.064887
  H      -4.961971     -7.654461      1.793146
  H      -1.896179     -4.187422      1.050394
  H      -3.612085     -4.478623      0.787518
  H      -1.760137     -5.885245      2.782084
  H      -2.464914     -6.604834      1.303203
  C      -2.749579     -2.168700      2.313382
  C      -1.232337     -2.080842      1.961830
  C      -0.282380     -2.875353      2.848879
  C       1.162295     -2.784905      2.352060
  C       2.100098     -3.834775      2.918292
  Cl      1.666898     -5.503499      2.341513
  C      -3.047953     -1.223133      3.488998
  C      -2.871570      0.268437      3.185999
  C      -3.686574      0.692304      1.962420
  C      -3.347427     -0.181154      0.753367
  C      -3.539586     -1.667674      1.070081
  C      -7.545890     -4.153092      3.132431
  C      -8.553551     -5.059522      3.953091
  C      -7.919848     -5.807939      5.084046
  C      -8.141947     -7.264697      5.314597
  C      -9.186787     -7.448460      6.408317
  Cl     -9.454137     -9.222040      6.815202
  C      -7.575413     -2.728666      3.727761
  C      -6.783399     -1.713810      2.912554
  C      -7.327425     -1.615552      1.487196
  C      -7.370187     -2.999728      0.836659
  C      -8.141525     -3.997184      1.700222
  C      -2.179298     -5.018923      6.588675
  C      -3.111800     -5.427219      7.759732
  C      -2.684765     -5.082291      9.187358
  C      -3.726689     -5.537507     10.208924
  C      -3.398653     -5.179483     11.645244
  Cl     -1.901338     -6.020396     12.237276
  C      -0.794824     -5.701314      6.767121
  C       0.266761     -5.028187      5.902367
  C       0.600844     -3.639868      6.480303
  C      -0.608614     -3.044060      7.223207
  C      -1.938928     -3.480501      6.601991
  H      -1.083242     -2.404487      0.917609
  H      -0.931706     -1.022099      1.966978
  H      -0.596676     -3.927838      2.867403
  H      -0.340392     -2.523993      3.890674
  H       1.184618     -2.855116      1.251822
  H       1.589668     -1.798324      2.606458
  H       2.064769     -3.884470      4.012728
  H       3.135227     -3.675439      2.595085
  H      -4.096031     -1.383315      3.770886
  H      -2.426440     -1.511654      4.352257
  H      -1.807531      0.505960      3.018155
  H      -3.176861      0.853723      4.068609
  H      -3.512334      1.755864      1.734651
  H      -4.762649      0.589941      2.190207
  H      -2.306474      0.010544      0.442308
  H      -3.980301      0.095088     -0.105692
  H      -3.254612     -2.273998      0.196737
  H      -4.606741     -1.860973      1.248031
  H      -9.393227     -4.405467      4.264414
  H      -9.013863     -5.799667      3.275002
  H      -6.934743     -4.200584      5.657729
  H      -5.138057     -5.994701      6.405469
  H      -7.197274     -7.739122      5.634494
  H      -8.481761     -7.771666      4.397156
  H     -10.169015     -7.065608      6.108517
  H      -8.870460     -6.973890      7.344046
  H      -7.251547     -2.726590      4.779694
  H      -8.633442     -2.418368      3.761477
  H      -6.801821     -0.726290      3.403788
  H      -5.734303     -2.042293      2.870949
  H      -6.714486     -0.923130      0.888055
  H      -8.347229     -1.191501      1.516402
  H      -6.340382     -3.371149      0.704131
  H      -7.823945     -2.938921     -0.165418
  H      -8.185505     -4.976748      1.202048
  H      -9.189594     -3.664151      1.807428
  H      -4.086527     -4.948432      7.571006
  H      -3.284743     -6.516756      7.698108
  H      -1.721074     -5.550836      9.436476
  H      -2.539685     -3.993187      9.289684
  H      -3.884581     -6.625417     10.130382
  H      -4.700003     -5.065157      9.980869
  H      -3.201972     -4.106262     11.765640
  H      -4.196332     -5.480803     12.334042
  H      -0.861778     -6.777137      6.568526
  H      -0.498807     -5.617582      7.823556
  H      -0.128574     -4.930454      4.879154
  H       1.172733     -5.647966      5.828520
  H       1.451985     -3.716277      7.175422
  H       0.920351     -2.957688      5.677722
  H      -0.548996     -1.944315      7.228981
  H      -0.582873     -3.352485      8.279324
  H      -2.754199     -2.984998      7.152774
  H      -1.977119     -3.140679      5.555343
  N      -4.806888     -2.784069      5.578891
  H      -3.960181     -2.255272      5.796352
  H      -5.139292     -3.195239      6.457785
  H      -5.507371     -2.106798      5.266708
  N      -5.527178     -5.655673      5.526581
  N      -6.888010     -5.209741      5.794042
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891042094948
  N      -3.168294     -3.550528      2.662586
  C      -2.825029     -4.466723      1.573661
  C      -2.627838     -5.868031      2.109893
  N      -3.825451     -6.237475      2.900240
  C      -4.965429     -6.570241      2.007258
  C      -6.256213     -6.126600      2.653191
  N      -6.177491     -4.722678      3.062463
  Mo     -4.348697     -4.517184      4.157007
  N      -2.826782     -5.404527      5.292223
  C      -2.604248     -6.812190      4.957107
  C      -3.559258     -7.312826      3.879999
  H      -2.730882     -7.485816      5.828702
  H      -1.561251     -6.971412      4.611994
  H      -4.529245     -7.566399      4.325785
  H      -3.142839     -8.202134      3.370731
  H      -7.070593     -6.311840      1.932265
  H      -6.457894     -6.778199      3.525724
  H      -4.822393     -6.027888      1.063555
  H      -4.961265     -7.652640      1.790035
  H      -1.894057     -4.187409      1.052182
  H      -3.609750     -4.476656      0.786265
  H      -1.759716     -5.887146      2.780175
  H      -2.466903     -6.604074      1.301326
  C      -2.749315     -2.168226      2.313869
  C      -1.231545     -2.079675      1.964135
  C      -0.282067     -2.873925      2.851837
  C       1.162954     -2.785449      2.355057
  C       2.097983     -3.839243      2.918708
  Cl      1.660336     -5.505831      2.338330
  C      -3.049748     -1.222682      3.489088
  C      -2.872623      0.268942      3.186497
  C      -3.686108      0.692854      1.961823
  C      -3.345280     -0.180463      0.753202
  C      -3.537186     -1.667185      1.069187
  C      -7.547650     -4.153392      3.129715
  C      -8.554843     -5.059389      3.950543
  C      -7.921643     -5.807861      5.081277
  C      -8.145283     -7.263843      5.315551
  C      -9.178964     -7.447326      6.419915
  Cl     -9.442000     -9.220332      6.829354
  C      -7.578427     -2.728199      3.724061
  C      -6.785482     -1.713966      2.908945
  C      -7.327757     -1.616476      1.482972
  C      -7.371154     -3.001074      0.833394
  C      -8.143432     -3.997455      1.697425
  C      -2.180271     -5.019096      6.588973
  C      -3.112084     -5.427403      7.760320
  C      -2.683114     -5.082906      9.187514
  C      -3.722682     -5.539145     10.211031
  C      -3.391689     -5.181510     11.646766
  Cl     -1.892959     -6.022238     12.235277
  C      -0.795411     -5.701277      6.767695
  C       0.266321     -5.026471      5.904293
  C       0.599807     -3.638984      6.484580
  C      -0.610860     -3.044106      7.226264
  C      -1.940344     -3.480651      6.603242
  H      -1.081100     -2.403276      0.920142
  H      -0.932230     -1.020546      1.970272
  H      -0.597128     -3.926128      2.870872
  H      -0.339397     -2.522009      3.893533
  H       1.184740     -2.852478      1.254650
  H       1.593358     -1.801001      2.612345
  H       2.062112     -3.891034      4.013012
  H       3.133561     -3.682235      2.595875
  H      -4.098262     -1.382781      3.769072
  H      -2.429699     -1.511355      4.353282
  H      -1.808449      0.506876      3.020053
  H      -3.178988      0.854031      4.068881
  H      -3.511438      1.756435      1.734303
  H      -4.762501      0.590785      2.188143
  H      -2.304030      0.011792      0.443462
  H      -3.977090      0.095610     -0.106686
  H      -3.249574     -2.272745      0.196110
  H      -4.604551     -1.861664      1.244448
  H      -9.393404     -4.403875      4.262253
  H      -9.015781     -5.799245      3.272496
  H      -6.931097     -4.200947      5.643466
  H      -5.139237     -5.993003      6.403688
  H      -7.198396     -7.740934      5.625207
  H      -8.495469     -7.769468      4.401317
  H     -10.164395     -7.064764      6.130244
  H      -8.853844     -6.972704      7.352545
  H      -7.256194     -2.724119      4.776694
  H      -8.636627     -2.418373      3.756468
  H      -6.803916     -0.726013      3.399230
  H      -5.736687     -2.043789      2.868972
  H      -6.713733     -0.924956      0.883878
  H      -8.347239     -1.191427      1.510450
  H      -6.341530     -3.373249      0.701664
  H      -7.824688     -2.940763     -0.168793
  H      -8.189315     -4.976861      1.199064
  H      -9.191039     -3.663062      1.805425
  H      -4.086438     -4.946977      7.573449
  H      -3.286710     -6.516631      7.698463
  H      -1.718498     -5.550456      9.435128
  H      -2.538913     -3.993700      9.290082
  H      -3.879751     -6.627192     10.132398
  H      -4.696795     -5.067648      9.984905
  H      -3.194973     -4.108284     11.766928
  H      -4.187883     -5.483098     12.337114
  H      -0.862144     -6.776742      6.567069
  H      -0.500204     -5.619276      7.824516
  H      -0.129439     -4.927370      4.881420
  H       1.172414     -5.645934      5.829295
  H       1.449820     -3.716716      7.180893
  H       0.920586     -2.955945      5.683215
  H      -0.551572     -1.944354      7.232852
  H      -0.586173     -3.353408      8.282167
  H      -2.756034     -2.985625      7.153882
  H      -1.977711     -3.139406      5.557077
  N      -4.809537     -2.785704      5.579195
  H      -3.963776     -2.256124      5.798642
  H      -5.143285     -3.197580      6.457265
  H      -5.509739     -2.107950      5.267293
  N      -5.527289     -5.658004      5.522893
  N      -6.887238     -5.209317      5.787835
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891053474850
  N      -3.168701     -3.550409      2.663628
  C      -2.824416     -4.466381      1.574919
  C      -2.628148     -5.868167      2.110290
  N      -3.826074     -6.237636      2.900427
  C      -4.965531     -6.570113      2.006531
  C      -6.257193     -6.125864      2.650864
  N      -6.178161     -4.722317      3.060305
  Mo     -4.349581     -4.517549      4.157615
  N      -2.827606     -5.405837      5.293391
  C      -2.605870     -6.813343      4.957792
  C      -3.560684     -7.313281      3.879960
  H      -2.733107     -7.487642      5.828869
  H      -1.562950     -6.973172      4.612797
  H      -4.530752     -7.567558      4.324954
  H      -3.143825     -8.202216      3.370302
  H      -7.069903     -6.310188      1.927826
  H      -6.460716     -6.778454      3.522374
  H      -4.821497     -6.027689      1.063077
  H      -4.961550     -7.652430      1.789091
  H      -1.892552     -4.187049      1.054916
  H      -3.608070     -4.475334      0.786529
  H      -1.759608     -5.888838      2.779994
  H      -2.467962     -6.603240      1.300708
  C      -2.750026     -2.168083      2.315648
  C      -1.232173     -2.078788      1.965688
  C      -0.282048     -2.872218      2.853363
  C       1.162515     -2.786554      2.354443
  C       2.095762     -3.842721      2.916338
  Cl      1.653085     -5.508296      2.336664
  C      -3.051111     -1.223094      3.491240
  C      -2.874216      0.268752      3.189302
  C      -3.688077      0.692760      1.964778
  C      -3.347104     -0.179968      0.755857
  C      -3.537812     -1.667115      1.070894
  C      -7.547563     -4.152217      3.127583
  C      -8.555682     -5.056833      3.949332
  C      -7.923425     -5.806419      5.078980
  C      -8.145285     -7.262767      5.310986
  C      -9.165817     -7.451394      6.426736
  Cl     -9.420541     -9.225294      6.835259
  C      -7.577683     -2.726365      3.720940
  C      -6.783241     -1.713599      2.905235
  C      -7.324767     -1.616261      1.479140
  C      -7.370341     -3.001319      0.830539
  C      -8.144055     -3.995821      1.695562
  C      -2.180996     -5.020175      6.589488
  C      -3.112458     -5.427346      7.761437
  C      -2.683056     -5.082653      9.188508
  C      -3.722911     -5.537277     10.212439
  C      -3.391629     -5.177792     11.647682
  Cl     -1.893743     -6.018992     12.237473
  C      -0.795923     -5.702213      6.768734
  C       0.265461     -5.027539      5.904768
  C       0.599274     -3.640115      6.484945
  C      -0.611769     -3.044601      7.225736
  C      -1.941125     -3.481814      6.602620
  H      -1.082010     -2.402603      0.921728
  H      -0.933744     -1.019421      1.971694
  H      -0.598328     -3.923979      2.874745
  H      -0.336942     -2.518467      3.894543
  H       1.182382     -2.852837      1.253926
  H       1.595941     -1.803401      2.611664
  H       2.061598     -3.894439      4.010661
  H       3.131135     -3.688363      2.591600
  H      -4.099557     -1.383643      3.771067
  H      -2.430883     -1.512110      4.355191
  H      -1.810184      0.507174      3.022811
  H      -3.180663      0.853353      4.071969
  H      -3.513580      1.756363      1.737227
  H      -4.764365      0.590519      2.191422
  H      -2.306027      0.012908      0.445883
  H      -3.979263      0.096065     -0.103781
  H      -3.248081     -2.271418      0.197597
  H      -4.605169     -1.863192      1.244399
  H      -9.391444     -4.398407      4.262717
  H      -9.019340     -5.795327      3.271823
  H      -6.927565     -4.201007      5.635169
  H      -5.140524     -5.990676      6.404487
  H      -7.195057     -7.742048      5.607891
  H      -8.506200     -7.764325      4.398827
  H     -10.155411     -7.070255      6.149573
  H      -8.831710     -6.977752      7.356719
  H      -7.256993     -2.720689      4.774190
  H      -8.635730     -2.415962      3.752260
  H      -6.799969     -0.725107      3.394456
  H      -5.735096     -2.045795      2.866314
  H      -6.709155     -0.926301      0.879896
  H      -8.343523     -1.189399      1.505701
  H      -6.341141     -3.374885      0.699406
  H      -7.823581     -2.941233     -0.171787
  H      -8.192855     -4.975095      1.197288
  H      -9.190783     -3.658805      1.803948
  H      -4.085961     -4.944648      7.575436
  H      -3.289187     -6.516195      7.700050
  H      -1.718794     -5.550724      9.436476
  H      -2.538093     -3.993485      9.290300
  H      -3.879839     -6.625480     10.135278
  H      -4.697008     -5.066182      9.985529
  H      -3.193825     -4.104587     11.766157
  H      -4.188057     -5.477429     12.338569
  H      -0.862729     -6.777636      6.568063
  H      -0.500418     -5.619947      7.825428
  H      -0.131313     -4.928308      4.882325
  H       1.171514     -5.646996      5.828949
  H       1.448723     -3.718158      7.181874
  H       0.920868     -2.957313      5.683605
  H      -0.552592     -1.944865      7.231686
  H      -0.587445     -3.353290      8.281832
  H      -2.757089     -2.986361      7.152528
  H      -1.977914     -3.140845      5.556373
  N      -4.812018     -2.788062      5.580628
  H      -3.966765     -2.258374      5.802215
  H      -5.147379     -3.200870      6.457734
  H      -5.511290     -2.108865      5.269400
  N      -5.527748     -5.660486      5.521622
  N      -6.887471     -5.208815      5.784448
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891058851433
  N      -3.169902     -3.550026      2.662163
  C      -2.826119     -4.465880      1.573317
  C      -2.628819     -5.867565      2.108674
  N      -3.825798     -6.237333      2.900297
  C      -4.966001     -6.571116      2.007694
  C      -6.257348     -6.126309      2.652491
  N      -6.178310     -4.722233      3.059586
  Mo     -4.348954     -4.516951      4.157600
  N      -2.826138     -5.404634      5.292901
  C      -2.603362     -6.811722      4.956628
  C      -3.558658     -7.312559      3.879624
  H      -2.729201     -7.486427      5.827583
  H      -1.560563     -6.970497      4.610722
  H      -4.528055     -7.567948      4.325273
  H      -3.141344     -8.201068      3.369543
  H      -7.070640     -6.312005      1.930442
  H      -6.459873     -6.777835      3.525058
  H      -4.822821     -6.029601      1.063594
  H      -4.962122     -7.653652      1.791493
  H      -1.894968     -4.185991      1.052388
  H      -3.610680     -4.475405      0.785877
  H      -1.759300     -5.888451      2.777085
  H      -2.469565     -6.602398      1.298675
  C      -2.750649     -2.167609      2.315405
  C      -1.232368     -2.077801      1.967072
  C      -0.283151     -2.872511      2.854514
  C       1.161847     -2.786629      2.356844
  C       2.094193     -3.844132      2.917483
  Cl      1.651642     -5.508418      2.334248
  C      -3.053129     -1.223605      3.491427
  C      -2.875926      0.268453      3.190900
  C      -3.688381      0.693502      1.965758
  C      -3.346087     -0.178313      0.756569
  C      -3.536958     -1.665808      1.070018
  C      -7.547599     -4.151649      3.125649
  C      -8.556918     -5.054825      3.948693
  C      -7.925053     -5.803131      5.079108
  C      -8.147502     -7.258561      5.314279
  C      -9.157458     -7.444885      6.440141
  Cl     -9.408484     -9.217640      6.855211
  C      -7.578239     -2.724801      3.716498
  C      -6.783161     -1.713664      2.899392
  C      -7.324322     -1.618454      1.473068
  C      -7.369934     -3.004631      0.826738
  C      -8.143892     -3.997663      1.693308
  C      -2.180536     -5.019835      6.589537
  C      -3.112246     -5.429116      7.760525
  C      -2.683708     -5.086525      9.188381
  C      -3.724000     -5.542968     10.211027
  C      -3.393801     -5.184833     11.646890
  Cl     -1.896067     -6.026127     12.236851
  C      -0.795348     -5.701477      6.768540
  C       0.265764     -5.025696      5.905095
  C       0.599005     -3.638529      6.486216
  C      -0.612191     -3.044203      7.227803
  C      -1.941493     -3.481413      6.604422
  H      -1.081475     -2.400238      0.922812
  H      -0.933870     -1.018478      1.974585
  H      -0.599839     -3.924189      2.874339
  H      -0.338581     -2.520074      3.896054
  H       1.182563     -2.850777      1.256201
  H       1.595501     -1.804121      2.616225
  H       2.059270     -3.897952      4.011688
  H       3.129857     -3.689524      2.593760
  H      -4.101865     -1.384625      3.770080
  H      -2.433814     -1.513458      4.355729
  H      -1.811697      0.506868      3.025687
  H      -3.183264      0.852408      4.073673
  H      -3.513375      1.757171      1.739001
  H      -4.764905      0.591306      2.191227
  H      -2.304646      0.014696      0.447901
  H      -3.977259      0.098444     -0.103568
  H      -3.245420     -2.269109      0.196622
  H      -4.604504     -1.862374      1.241322
  H      -9.391922     -4.395155      4.261405
  H      -9.021452     -5.793863      3.272490
  H      -6.921468     -4.198738      5.622638
  H      -5.141792     -5.991635      6.403623
  H      -7.195289     -7.739635      5.602674
  H      -8.518319     -7.760041      4.406184
  H     -10.149521     -7.063963      6.171643
  H      -8.814885     -6.968843      7.365825
  H      -7.258873     -2.716434      4.770171
  H      -8.636379     -2.414584      3.746313
  H      -6.799382     -0.724340      3.386925
  H      -5.735252     -2.046698      2.861636
  H      -6.708198     -0.929711      0.872950
  H      -8.342947     -1.191264      1.498613
  H      -6.340618     -3.378294      0.696739
  H      -7.822696     -2.946314     -0.175905
  H      -8.192438     -4.977831      1.196768
  H      -9.190634     -3.660327      1.800327
  H      -4.085673     -4.946071      7.574819
  H      -3.288839     -6.517868      7.697376
  H      -1.719471     -5.554664      9.436253
  H      -2.539198     -3.997430      9.291701
  H      -3.880048     -6.631199     10.132555
  H      -4.698264     -5.072309      9.984067
  H      -3.196429     -4.111687     11.766633
  H      -4.190556     -5.485433     12.336991
  H      -0.861805     -6.776761      6.566863
  H      -0.499853     -5.619907      7.825261
  H      -0.131067     -4.925767      4.882738
  H       1.172094     -5.644696      5.828755
  H       1.448594     -3.716571      7.182977
  H       0.920146     -2.954851      5.685399
  H      -0.553517     -1.944461      7.235088
  H      -0.587703     -3.354126      8.283547
  H      -2.757642     -2.987065      7.155043
  H      -1.978572     -3.139244      5.558633
  N      -4.813514     -2.788375      5.580643
  H      -3.968697     -2.258339      5.803261
  H      -5.149519     -3.201269      6.457530
  H      -5.512369     -2.108725      5.269345
  N      -5.526903     -5.662300      5.519450
  N      -6.885698     -5.205403      5.779622
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891062917883
  N      -3.170400     -3.550135      2.662186
  C      -2.825626     -4.466163      1.573909
  C      -2.629117     -5.867752      2.109970
  N      -3.827033     -6.237103      2.900573
  C      -4.966463     -6.570443      2.006925
  C      -6.258064     -6.124913      2.650335
  N      -6.178658     -4.721115      3.057975
  Mo     -4.349800     -4.516154      4.157525
  N      -2.827940     -5.405053      5.293306
  C      -2.605945     -6.812210      4.957172
  C      -3.561093     -7.312533      3.879850
  H      -2.732199     -7.486847      5.828091
  H      -1.563203     -6.971682      4.611407
  H      -4.530843     -7.567645      4.324851
  H      -3.144056     -8.201224      3.369817
  H      -7.070883     -6.309796      1.927541
  H      -6.462151     -6.776680      3.522199
  H      -4.821813     -6.029190      1.062917
  H      -4.963345     -7.653051      1.791163
  H      -1.894068     -4.186320      1.053726
  H      -3.609658     -4.475873      0.785946
  H      -1.760211     -5.888904      2.779095
  H      -2.469278     -6.602647      1.300107
  C      -2.750796     -2.167591      2.316064
  C      -1.232415     -2.077658      1.968129
  C      -0.283523     -2.872493      2.855773
  C       1.161539     -2.787256      2.358152
  C       2.092981     -3.846308      2.917150
  Cl      1.648668     -5.509300      2.331957
  C      -3.053378     -1.223758      3.492143
  C      -2.875853      0.268240      3.191797
  C      -3.687979      0.693651      1.966564
  C      -3.345719     -0.178129      0.757339
  C      -3.536714     -1.665728      1.070456
  C      -7.547752     -4.150431      3.123672
  C      -8.558203     -5.053922      3.946597
  C      -7.926701     -5.802384      5.076928
  C      -8.144623     -7.258559      5.310018
  C      -9.141707     -7.448996      6.446817
  Cl     -9.380766     -9.222392      6.865353
  C      -7.578494     -2.724103      3.715088
  C      -6.783199     -1.712980      2.898221
  C      -7.324349     -1.617232      1.471905
  C      -7.369970     -3.003275      0.825112
  C      -8.144089     -3.996414      1.691452
  C      -2.181885     -5.020107      6.589648
  C      -3.113595     -5.428535      7.760964
  C      -2.684686     -5.085980      9.188697
  C      -3.724998     -5.542293     10.211377
  C      -3.395254     -5.182838     11.647049
  Cl     -1.897361     -6.023098     12.238100
  C      -0.797190     -5.702339      6.769147
  C       0.264150     -5.027932      5.905020
  C       0.598404     -3.640691      6.485229
  C      -0.612372     -3.044973      7.226515
  C      -1.942092     -3.481859      6.603695
  H      -1.081542     -2.399942      0.923809
  H      -0.933556     -1.018451      1.975483
  H      -0.600712     -3.924037      2.875938
  H      -0.338840     -2.519720      3.897149
  H       1.182336     -2.849846      1.257400
  H       1.595962     -1.805393      2.618813
  H       2.058747     -3.901622      4.011315
  H       3.128639     -3.692231      2.593083
  H      -4.102153     -1.384804      3.770708
  H      -2.434234     -1.513962      4.356463
  H      -1.811497      0.506133      3.026654
  H      -3.183125      0.852302      4.074509
  H      -3.512574      1.757211      1.739708
  H      -4.764503      0.591678      2.192029
  H      -2.304170      0.014543      0.448807
  H      -3.976751      0.098890     -0.102827
  H      -3.244383     -2.268759      0.197149
  H      -4.604315     -1.862443      1.240924
  H      -9.392355     -4.393532      4.259820
  H      -9.023795     -5.792242      3.270561
  H      -6.924252     -4.197245      5.621119
  H      -5.145872     -5.992549      6.403892
  H      -7.188809     -7.739678      5.587153
  H      -8.525145     -7.757914      4.404972
  H     -10.137999     -7.071784      6.188924
  H      -8.791191     -6.970729      7.368396
  H      -7.259549     -2.716040      4.768881
  H      -8.636657     -2.413927      3.744648
  H      -6.798969     -0.723779      3.386032
  H      -5.735421     -2.046283      2.860648
  H      -6.707756     -0.928569      0.872170
  H      -8.342867     -1.189864      1.497501
  H      -6.340522     -3.376762      0.695435
  H      -7.822234     -2.944762     -0.177738
  H      -8.192475     -4.976624      1.194972
  H      -9.190794     -3.658874      1.797757
  H      -4.086698     -4.944949      7.575042
  H      -3.290619     -6.517226      7.698115
  H      -1.720522     -5.554341      9.436401
  H      -2.539972     -3.996857      9.291700
  H      -3.880370     -6.630664     10.133695
  H      -4.699502     -5.072306      9.984058
  H      -3.198282     -4.109513     11.766003
  H      -4.192013     -5.483140     12.337322
  H      -0.864205     -6.777788      6.568686
  H      -0.501351     -5.619649      7.825699
  H      -0.132652     -4.928057      4.882652
  H       1.170124     -5.647485      5.828884
  H       1.447816     -3.718803      7.182226
  H       0.920277     -2.957636      5.684168
  H      -0.553115     -1.945270      7.233109
  H      -0.588093     -3.354144      8.282505
  H      -2.758017     -2.986901      7.154091
  H      -1.979276     -3.140445      5.557668
  N      -4.814678     -2.787790      5.581013
  H      -3.970363     -2.257573      5.805150
  H      -5.150770     -3.202864      6.456881
  H      -5.513640     -2.107710      5.270859
  N      -5.528878     -5.659749      5.520088
  N      -6.888674     -5.203753      5.778238
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891065351961
  N      -3.171821     -3.549676      2.660852
  C      -2.828662     -4.465110      1.571639
  C      -2.630399     -5.866613      2.107377
  N      -3.826861     -6.236779      2.899823
  C      -4.967604     -6.571647      2.008375
  C      -6.258238     -6.125893      2.653505
  N      -6.178603     -4.721376      3.058741
  Mo     -4.349073     -4.515888      4.157328
  N      -2.826392     -5.403924      5.292117
  C      -2.602723     -6.810641      4.955096
  C      -3.558344     -7.311916      3.878771
  H      -2.727236     -7.485619      5.825939
  H      -1.560028     -6.968474      4.608353
  H      -4.527410     -7.567822      4.324928
  H      -3.141054     -8.200230      3.368334
  H      -7.072649     -6.312494      1.933004
  H      -6.460178     -6.776098      3.527091
  H      -4.824711     -6.031617      1.063382
  H      -4.964433     -7.654581      1.794219
  H      -1.898472     -4.184436      1.049478
  H      -3.614483     -4.475521      0.785428
  H      -1.760596     -5.887203      2.775343
  H      -2.471206     -6.601514      1.297369
  C      -2.751412     -2.167188      2.315658
  C      -1.232949     -2.078087      1.967971
  C      -0.284763     -2.873828      2.855515
  C       1.160532     -2.788403      2.358720
  C       2.092078     -3.846925      2.918602
  Cl      1.648447     -5.510247      2.333970
  C      -3.053559     -1.224045      3.492375
  C      -2.875549      0.268041      3.193081
  C      -3.687028      0.694699      1.967901
  C      -3.344780     -0.176385      0.758127
  C      -3.536779     -1.664065      1.070178
  C      -7.547624     -4.149915      3.123130
  C      -8.558948     -5.052143      3.947031
  C      -7.927194     -5.800031      5.078166
  C      -8.144951     -7.255818      5.313106
  C      -9.134813     -7.444732      6.456542
  Cl     -9.369988     -9.217617      6.879502
  C      -7.578020     -2.722794      3.712654
  C      -6.782085     -1.713085      2.894781
  C      -7.323429     -1.618849      1.468374
  C      -7.369033     -3.005598      0.823155
  C      -8.143271     -3.997867      1.690435
  C      -2.181505     -5.019635      6.589364
  C      -3.114223     -5.429706      7.759375
  C      -2.686846     -5.088432      9.187849
  C      -3.728205     -5.546032     10.208900
  C      -3.400405     -5.187758     11.645306
  Cl     -1.902791     -6.027841     12.237380
  C      -0.796681     -5.701355      6.769163
  C       0.264654     -5.026383      5.905548
  C       0.598005     -3.638962      6.485876
  C      -0.612932     -3.044203      7.227631
  C      -1.942552     -3.481235      6.604811
  H      -1.082144     -2.400200      0.923568
  H      -0.933290     -1.019110      1.975477
  H      -0.602167     -3.925324      2.874789
  H      -0.340757     -2.521677      3.897070
  H       1.182105     -2.851409      1.258013
  H       1.594294     -1.806217      2.619298
  H       2.057464     -3.901796      4.012784
  H       3.127838     -3.692658      2.594943
  H      -4.102396     -1.385079      3.770939
  H      -2.434586     -1.515113      4.356524
  H      -1.811012      0.505528      3.028422
  H      -3.182850      0.851685      4.076059
  H      -3.511048      1.758349      1.741939
  H      -4.763698      0.593046      2.192865
  H      -2.303007      0.015933      0.450153
  H      -3.975323      0.101663     -0.102067
  H      -3.244840     -2.266861      0.196593
  H      -4.604543     -1.860063      1.240446
  H      -9.393125     -4.391438      4.259278
  H      -9.024810     -5.790917      3.271669
  H      -6.919799     -4.195889      5.614451
  H      -5.146286     -5.995107      6.402269
  H      -7.187697     -7.737501      5.584524
  H      -8.531799     -7.755159      4.410797
  H     -10.132800     -7.068283      6.204202
  H      -8.778484     -6.964725      7.374967
  H      -7.259516     -2.713212      4.766547
  H      -8.636098     -2.412214      3.741303
  H      -6.797416     -0.723390      3.381608
  H      -5.734435     -2.046748      2.857450
  H      -6.706913     -0.930895      0.867744
  H      -8.341906     -1.191396      1.493761
  H      -6.339587     -3.379229      0.693921
  H      -7.821219     -2.948162     -0.179796
  H      -8.190708     -4.978835      1.195403
  H      -9.190206     -3.660685      1.795570
  H      -4.087560     -4.946957      7.572687
  H      -3.290154     -6.518521      7.695164
  H      -1.722933     -5.557019      9.436044
  H      -2.542255     -3.999408      9.292092
  H      -3.883217     -6.634357     10.130044
  H      -4.702579     -5.076057      9.980926
  H      -3.204151     -4.114445     11.765527
  H      -4.197870     -5.489150     12.334301
  H      -0.863129     -6.776843      6.568681
  H      -0.501296     -5.618575      7.825819
  H      -0.131685     -4.926697      4.882984
  H       1.170960     -5.645505      5.829828
  H       1.447621     -3.716497      7.182712
  H       0.919312     -2.955551      5.684913
  H      -0.554159     -1.944473      7.234798
  H      -0.588407     -3.353897      8.283467
  H      -2.758605     -2.987211      7.155872
  H      -1.980329     -3.139196      5.558974
  N      -4.815090     -2.788440      5.581741
  H      -3.970587     -2.258776      5.806541
  H      -5.151795     -3.203095      6.457604
  H      -5.513469     -2.107943      5.271196
  N      -5.528027     -5.662373      5.517826
  N      -6.886636     -5.201754      5.775326
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891066372880
  N      -3.172054     -3.549493      2.660375
  C      -2.829498     -4.464884      1.570904
  C      -2.630840     -5.866312      2.106705
  N      -3.827139     -6.236568      2.899284
  C      -4.967881     -6.571670      2.007969
  C      -6.258378     -6.125875      2.653183
  N      -6.178711     -4.721380      3.058620
  Mo     -4.349242     -4.515538      4.156711
  N      -2.826840     -5.403478      5.291570
  C      -2.602861     -6.810215      4.954639
  C      -3.558373     -7.311630      3.878337
  H      -2.727382     -7.485046      5.825588
  H      -1.560070     -6.967834      4.608066
  H      -4.527477     -7.567358      4.324625
  H      -3.141141     -8.200036      3.368059
  H      -7.072989     -6.312459      1.932901
  H      -6.460194     -6.776028      3.526823
  H      -4.825072     -6.032082      1.062703
  H      -4.964663     -7.654710      1.794286
  H      -1.899710     -4.184160      1.048085
  H      -3.615842     -4.475535      0.785180
  H      -1.761091     -5.886443      2.774779
  H      -2.471476     -6.601462      1.296960
  C      -2.751199     -2.167070      2.315311
  C      -1.232721     -2.078575      1.967678
  C      -0.284808     -2.874549      2.855310
  C       1.160604     -2.789050      2.358888
  C       2.092130     -3.847530      2.919024
  Cl      1.648279     -5.510967      2.334794
  C      -3.052959     -1.223947      3.492149
  C      -2.874454      0.268100      3.192974
  C      -3.685567      0.695234      1.967750
  C      -3.343526     -0.175839      0.757887
  C      -3.536346     -1.663401      1.069887
  C      -7.547808     -4.150001      3.122964
  C      -8.559041     -5.052155      3.946895
  C      -7.927071     -5.800392      5.077900
  C      -8.144144     -7.256367      5.313025
  C      -9.130191     -7.445503      6.459776
  Cl     -9.362039     -9.218337      6.884447
  C      -7.578086     -2.722990      3.712753
  C      -6.782132     -1.713143      2.895147
  C      -7.323558     -1.618696      1.468743
  C      -7.369040     -3.005284      0.823240
  C      -8.143220     -3.997841      1.690229
  C      -2.182244     -5.019401      6.589187
  C      -3.115246     -5.429885      7.758853
  C      -2.688079     -5.088474      9.187358
  C      -3.729343     -5.546333     10.208400
  C      -3.401951     -5.187781     11.644812
  Cl     -1.903764     -6.026766     12.237064
  C      -0.797465     -5.701173      6.768928
  C       0.264006     -5.026094      5.905572
  C       0.597366     -3.638830      6.486280
  C      -0.613612     -3.044080      7.227914
  C      -1.943262     -3.480943      6.605153
  H      -1.081878     -2.400834      0.923319
  H      -0.932696     -1.019687      1.975084
  H      -0.602208     -3.926035      2.874305
  H      -0.341223     -2.522523      3.896917
  H       1.182488     -2.852155      1.258199
  H       1.594164     -1.806803      2.619540
  H       2.057507     -3.902143      4.013214
  H       3.127920     -3.693385      2.595412
  H      -4.101808     -1.384759      3.770842
  H      -2.434066     -1.515231      4.356271
  H      -1.809795      0.505217      3.028515
  H      -3.181662      0.851796      4.075955
  H      -3.509147      1.758883      1.742084
  H      -4.762339      0.593977      2.192443
  H      -2.301622      0.016087      0.450115
  H      -3.973800      0.102626     -0.102368
  H      -3.245110     -2.266492      0.196277
  H      -4.604204     -1.858671      1.240510
  H      -9.393096     -4.391418      4.259376
  H      -9.025217     -5.790611      3.271374
  H      -6.921191     -4.195887      5.616443
  H      -5.146646     -5.995775      6.401705
  H      -7.186041     -7.738197      5.581153
  H      -8.534050     -7.755140      4.411758
  H     -10.129315     -7.070204      6.210244
  H      -8.771142     -6.964693      7.376682
  H      -7.259412     -2.713928      4.766584
  H      -8.636113     -2.412236      3.741498
  H      -6.797583     -0.723576      3.382240
  H      -5.734418     -2.046593      2.857549
  H      -6.707256     -0.930535      0.868126
  H      -8.342090     -1.191368      1.494368
  H      -6.339618     -3.378871      0.693746
  H      -7.821377     -2.947565     -0.179631
  H      -8.190297     -4.978763      1.195065
  H      -9.190268     -3.660994      1.795419
  H      -4.088878     -4.947943      7.571842
  H      -3.290442     -6.518835      7.694497
  H      -1.724089     -5.556910      9.435539
  H      -2.543622     -3.999445      9.291714
  H      -3.884023     -6.634711     10.129638
  H      -4.703838     -5.076682      9.980272
  H      -3.206493     -4.114319     11.765000
  H      -4.199289     -5.489755     12.333698
  H      -0.863871     -6.776681      6.568478
  H      -0.502253     -5.618443      7.825646
  H      -0.132170     -4.926165      4.882968
  H       1.170274     -5.645266      5.829853
  H       1.446822     -3.716632      7.183288
  H       0.918973     -2.955319      5.685548
  H      -0.554768     -1.944344      7.234984
  H      -0.589133     -3.353672      8.283778
  H      -2.759131     -2.987116      7.156648
  H      -1.981440     -3.138646      5.559402
  N      -4.815243     -2.788239      5.581560
  H      -3.970738     -2.258756      5.806713
  H      -5.152276     -3.202939      6.457254
  H      -5.513543     -2.107844      5.270691
  N      -5.528338     -5.661887      5.517674
  N      -6.887048     -5.202030      5.775560
116
Coordinates from ORCA-job /scratch/magstr/orcajob__5668094-WlTX/orca E -7270.891066687088
  N      -3.172543     -3.549324      2.660261
  C      -2.830710     -4.464451      1.570306
  C      -2.631369     -5.865938      2.105707
  N      -3.827189     -6.236532      2.898802
  C      -4.968202     -6.571960      2.007911
  C      -6.258489     -6.126206      2.653626
  N      -6.178794     -4.721609      3.058727
  Mo     -4.349231     -4.515631      4.156548
  N      -2.826770     -5.403393      5.291246
  C      -2.602199     -6.809998      4.953912
  C      -3.557803     -7.311559      3.877796
  H      -2.726293     -7.485061      5.824735
  H      -1.559398     -6.967027      4.607116
  H      -4.526749     -7.567432      4.324379
  H      -3.140542     -8.199876      3.367407
  H      -7.073516     -6.313155      1.933906
  H      -6.459496     -6.776098      3.527665
  H      -4.825887     -6.032679      1.062392
  H      -4.964811     -7.655059      1.794506
  H      -1.901411     -4.183441      1.046743
  H      -3.617716     -4.475124      0.785240
  H      -1.761327     -5.885772      2.773449
  H      -2.472158     -6.601054      1.295916
  C      -2.751329     -2.166968      2.315395
  C      -1.232965     -2.079137      1.967308
  C      -0.285108     -2.875477      2.854638
  C       1.160276     -2.789976      2.358206
  C       2.092001     -3.847996      2.918966
  Cl      1.648294     -5.511909      2.335861
  C      -3.052424     -1.223991      3.492540
  C      -2.873310      0.268068      3.193668
  C      -3.684335      0.695884      1.968625
  C      -3.342902     -0.175087      0.758505
  C      -3.536540     -1.662570      1.070300
  C      -7.547928     -4.150249      3.122787
  C      -8.559193     -5.052303      3.946395
  C      -7.927432     -5.800728      5.077422
  C      -8.144542     -7.256735      5.312839
  C      -9.128146     -7.445928      6.461666
  Cl     -9.358472     -9.218711      6.887053
  C      -7.578318     -2.723180      3.712654
  C      -6.781961     -1.713296      2.895516
  C      -7.322919     -1.618690      1.468938
  C      -7.368253     -3.005182      0.823275
  C      -8.142714     -3.997900      1.689818
  C      -2.182456     -5.019342      6.589138
  C      -3.115689     -5.429824      7.758565
  C      -2.688661     -5.088191      9.187041
  C      -3.730108     -5.545595     10.208104
  C      -3.402813     -5.186934     11.644496
  Cl     -1.904654     -6.025873     12.236919
  C      -0.797558     -5.700842      6.769310
  C       0.264017     -5.025799      5.906063
  C       0.597037     -3.638340      6.486538
  C      -0.614127     -3.043704      7.227918
  C      -1.943641     -3.480811      6.605118
  H      -1.082464     -2.401482      0.922923
  H      -0.932611     -1.020332      1.974704
  H      -0.602618     -3.926922      2.873307
  H      -0.341506     -2.523693      3.896349
  H       1.182150     -2.853700      1.257553
  H       1.593651     -1.807524      2.618359
  H       2.057387     -3.901862      4.013191
  H       3.127761     -3.693918      2.595247
  H      -4.101230     -1.384480      3.771521
  H      -2.433430     -1.515665      4.356445
  H      -1.808567      0.504814      3.029229
  H      -3.180198      0.851678      4.076823
  H      -3.507396      1.759527      1.743294
  H      -4.761162      0.595182      2.193328
  H      -2.300950      0.016426      0.450647
  H      -3.973129      0.103907     -0.101608
  H      -3.246154     -2.265792      0.196489
  H      -4.604473     -1.857110      1.241370
  H      -9.393289     -4.391575      4.258817
  H      -9.025217     -5.790643      3.270596
  H      -6.921323     -4.196449      5.615956
  H      -5.147237     -5.997389      6.401022
  H      -7.185978     -7.738888      5.578770
  H      -8.536445     -7.754905      4.412126
  H     -10.127916     -7.071106      6.214029
  H      -8.767196     -6.964943      7.377721
  H      -7.260015     -2.714310      4.766603
  H      -8.636304     -2.412269      3.741007
  H      -6.797566     -0.723784      3.382714
  H      -5.734235     -2.046808      2.858125
  H      -6.706571     -0.930417      0.868491
  H      -8.341476     -1.191378      1.494357
  H      -6.338855     -3.378843      0.693883
  H      -7.820446     -2.947248     -0.179654
  H      -8.189459     -4.978741      1.194439
  H      -9.189853     -3.661244      1.794828
  H      -4.089398     -4.948164      7.571314
  H      -3.290665     -6.518821      7.694275
  H      -1.724794     -5.556812      9.435380
  H      -2.543891     -3.999196      9.291282
  H      -3.885090     -6.633947     10.129483
  H      -4.704458     -5.075725      9.979760
  H      -3.207351     -4.113464     11.764582
  H      -4.200211     -5.488870     12.333317
  H      -0.863703     -6.776404      6.569147
  H      -0.502658     -5.617837      7.826111
  H      -0.132028     -4.926294      4.883377
  H       1.170371     -5.644885      5.830713
  H       1.446461     -3.715864      7.183606
  H       0.918544     -2.954945      5.685660
  H      -0.555413     -1.943955      7.234726
  H      -0.589700     -3.353061      8.283853
  H      -2.759552     -2.987066      7.156647
  H      -1.981856     -3.138536      5.559355
  N      -4.815672     -2.788888      5.581994
  H      -3.971087     -2.259862      5.807913
  H      -5.153570     -3.203604      6.457353
  H      -5.513501     -2.108255      5.270616
  N      -5.528448     -5.662623      5.517127
  N      -6.887119     -5.202663      5.774747
